smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305795181 1069314107 /nfs/dbraw/zinc/31/41/07/1069314107.db2.gz OTALACNOGMICGI-ZFGGDYGUSA-N 1 0 498.672 3.274 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305795539 1069314822 /nfs/dbraw/zinc/31/48/22/1069314822.db2.gz QBOBXUUHRDTVOG-BVSLBCMMSA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](OC)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001305797981 1069319476 /nfs/dbraw/zinc/31/94/76/1069319476.db2.gz JFWFEHASKANXIQ-RBUKOAKNSA-N 1 0 460.648 3.320 20 0 JGADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccc(OC)cc1)[NH+]1CCCC1 ZINC001305800171 1069322341 /nfs/dbraw/zinc/32/23/41/1069322341.db2.gz GPCHERSATHGYCZ-OAQYLSRUSA-N 1 0 454.619 3.424 20 0 JGADRO CCC(CC)NC(=O)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CC[NH+]1CCCCC1 ZINC001305800415 1069322760 /nfs/dbraw/zinc/32/27/60/1069322760.db2.gz IKZFXGWADNLQQI-QGZVFWFLSA-N 1 0 450.538 3.203 20 0 JGADRO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1)[NH+]1CCCC1 ZINC001305800848 1069323103 /nfs/dbraw/zinc/32/31/03/1069323103.db2.gz NJROOKISKPCACV-IBGZPJMESA-N 1 0 458.582 3.173 20 0 JGADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)c(F)c1)[NH+]1CCCC1 ZINC001305800849 1069323178 /nfs/dbraw/zinc/32/31/78/1069323178.db2.gz NJROOKISKPCACV-LJQANCHMSA-N 1 0 458.582 3.173 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001305801749 1069324735 /nfs/dbraw/zinc/32/47/35/1069324735.db2.gz HIYPYDCXQFVZMM-AGILITTLSA-N 1 0 499.679 3.164 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001305802456 1069325603 /nfs/dbraw/zinc/32/56/03/1069325603.db2.gz NOSOVRROUALJGJ-JQVVWYNYSA-N 1 0 456.635 3.421 20 0 JGADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(=O)OC)C1)[NH+]1CCCC1 ZINC001305802792 1069326777 /nfs/dbraw/zinc/32/67/77/1069326777.db2.gz ILWIJGMSQXNUGZ-TZIWHRDSSA-N 1 0 468.602 3.021 20 0 JGADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC2)CC1)Oc1ccccc1F ZINC001305802879 1069327014 /nfs/dbraw/zinc/32/70/14/1069327014.db2.gz JVXLOTWIYOAIDY-LJQANCHMSA-N 1 0 458.582 3.088 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H](CC)NC(=O)OC(C)(C)C ZINC001305804524 1069329693 /nfs/dbraw/zinc/32/96/93/1069329693.db2.gz SQAVXHXQHOFRNM-IBGZPJMESA-N 1 0 491.681 3.174 20 0 JGADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC=C(c2ccc(O)cc2)CC1)[NH+]1CCCC1 ZINC001305804575 1069330274 /nfs/dbraw/zinc/33/02/74/1069330274.db2.gz TYDYVFWIFKYVED-OAQYLSRUSA-N 1 0 452.603 3.290 20 0 JGADRO CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)OC ZINC001305805391 1069332069 /nfs/dbraw/zinc/33/20/69/1069332069.db2.gz BFOWOXMMJLHLRH-WOJBJXKFSA-N 1 0 452.603 3.384 20 0 JGADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305805958 1069333133 /nfs/dbraw/zinc/33/31/33/1069333133.db2.gz ZRVHKMDWJPEORQ-UPVQGACJSA-N 1 0 497.688 3.179 20 0 JGADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](c2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001305806612 1069334755 /nfs/dbraw/zinc/33/47/55/1069334755.db2.gz OQFBYMJUAHBWJI-NPDDRXJXSA-N 1 0 474.675 3.145 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCCC1 ZINC001305807616 1069336327 /nfs/dbraw/zinc/33/63/27/1069336327.db2.gz HSQAAKNOBGXXKF-WOJBJXKFSA-N 1 0 472.609 3.490 20 0 JGADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC(C)C)CC1)OC ZINC001305810785 1069340746 /nfs/dbraw/zinc/34/07/46/1069340746.db2.gz NSSDKSDKXWPGLK-GOSISDBHSA-N 1 0 483.455 3.018 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)[C@@H]1CC)[NH+]1CCCC1 ZINC001305808888 1069338794 /nfs/dbraw/zinc/33/87/94/1069338794.db2.gz GJGUZDMUSHTBAA-HKUYNNGSSA-N 1 0 462.545 3.136 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](COC)C1)[NH+]1CCCC1 ZINC001305809156 1069339145 /nfs/dbraw/zinc/33/91/45/1069339145.db2.gz MIBKEOQQHXOXGZ-UZKOGDIHSA-N 1 0 461.582 3.283 20 0 JGADRO CC[C@H](Cn1c(C)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001305809710 1069339503 /nfs/dbraw/zinc/33/95/03/1069339503.db2.gz RROFXQSDGOSOGJ-HSZRJFAPSA-N 1 0 485.677 3.144 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCCCC2)C1)[NH+]1CCCC1 ZINC001305811214 1069341261 /nfs/dbraw/zinc/34/12/61/1069341261.db2.gz RPLXCRZWFZIHEP-RTBURBONSA-N 1 0 484.736 3.019 20 0 JGADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305811841 1069342478 /nfs/dbraw/zinc/34/24/78/1069342478.db2.gz SLCWGTFFDMPTBG-SJLPKXTDSA-N 1 0 481.439 3.009 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)[NH+]1CCCC1 ZINC001305814532 1069346364 /nfs/dbraw/zinc/34/63/64/1069346364.db2.gz IWAVUYWXHOXDBW-RBBKRZOGSA-N 1 0 454.619 3.133 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305815817 1069348723 /nfs/dbraw/zinc/34/87/23/1069348723.db2.gz PDKNZQCEBMOLMJ-NRFANRHFSA-N 1 0 483.661 3.458 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305815818 1069348885 /nfs/dbraw/zinc/34/88/85/1069348885.db2.gz PDKNZQCEBMOLMJ-OAQYLSRUSA-N 1 0 483.661 3.458 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C[C@@H]1CCCO1)[NH+]1CCCC1 ZINC001305816476 1069350103 /nfs/dbraw/zinc/35/01/03/1069350103.db2.gz SSSRMGCXDPHDAX-SFTDATJTSA-N 1 0 475.659 3.228 20 0 JGADRO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001305820206 1069355902 /nfs/dbraw/zinc/35/59/02/1069355902.db2.gz PHFRUQPOLPAIFJ-RXVVDRJESA-N 1 0 483.642 3.059 20 0 JGADRO CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001305820334 1069356150 /nfs/dbraw/zinc/35/61/50/1069356150.db2.gz CFGHMIXBHJBKEN-QZTJIDSGSA-N 1 0 466.051 3.486 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCCC1 ZINC001305822554 1069358863 /nfs/dbraw/zinc/35/88/63/1069358863.db2.gz LQIIPLVUMYTLBT-OALUTQOASA-N 1 0 471.602 3.226 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001305826403 1069365745 /nfs/dbraw/zinc/36/57/45/1069365745.db2.gz HLBVNKIKTHKWKR-RTWAWAEBSA-N 1 0 499.660 3.253 20 0 JGADRO CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NC(C)C)CC1)[NH+]1CCCC1 ZINC001305825747 1069364728 /nfs/dbraw/zinc/36/47/28/1069364728.db2.gz ZSNGGFIUTSUSDZ-FQEVSTJZSA-N 1 0 488.080 3.120 20 0 JGADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001305835367 1069377235 /nfs/dbraw/zinc/37/72/35/1069377235.db2.gz KWIQEYYOYVPGEN-SFHVURJKSA-N 1 0 458.573 3.246 20 0 JGADRO CC[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1)[NH+]1CCCC1 ZINC001305836354 1069378729 /nfs/dbraw/zinc/37/87/29/1069378729.db2.gz UZYAATBBNVEQOI-LEWJYISDSA-N 1 0 462.639 3.309 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001305836443 1069378777 /nfs/dbraw/zinc/37/87/77/1069378777.db2.gz JQNGNGKZQBYRIF-FCHUYYIVSA-N 1 0 477.650 3.286 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837303 1069380466 /nfs/dbraw/zinc/38/04/66/1069380466.db2.gz SEOWJVROPUMOKT-PLACYPQZSA-N 1 0 494.681 3.021 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1C)[NH+]1CCCC1 ZINC001305838621 1069383104 /nfs/dbraw/zinc/38/31/04/1069383104.db2.gz RLLKCZGVSQRKIM-FGZHOGPDSA-N 1 0 459.660 3.390 20 0 JGADRO CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001305839161 1069384082 /nfs/dbraw/zinc/38/40/82/1069384082.db2.gz VGYWGQPQDIBDHR-VQTJNVASSA-N 1 0 476.616 3.177 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1)[NH+]1CCCC1 ZINC001305839881 1069386512 /nfs/dbraw/zinc/38/65/12/1069386512.db2.gz WWFAZVMSDCQWTE-MSOLQXFVSA-N 1 0 484.041 3.484 20 0 JGADRO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305841076 1069388994 /nfs/dbraw/zinc/38/89/94/1069388994.db2.gz HILGFIPLFWUGJO-HMXCVIKNSA-N 1 0 469.634 3.240 20 0 JGADRO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305842549 1069391439 /nfs/dbraw/zinc/39/14/39/1069391439.db2.gz BVNKXHLGICJTGF-PWRODBHTSA-N 1 0 486.665 3.116 20 0 JGADRO CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1)[NH+]1CCCC1 ZINC001305842855 1069392002 /nfs/dbraw/zinc/39/20/02/1069392002.db2.gz CHFPQXFCVQMQRW-JOCHJYFZSA-N 1 0 454.619 3.216 20 0 JGADRO CC[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001305843892 1069393487 /nfs/dbraw/zinc/39/34/87/1069393487.db2.gz HKVIDOOGOFHUMX-TZIWHRDSSA-N 1 0 472.659 3.025 20 0 JGADRO CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001305843937 1069393601 /nfs/dbraw/zinc/39/36/01/1069393601.db2.gz WBSZURRBIZRDNH-HXUWFJFHSA-N 1 0 493.578 3.033 20 0 JGADRO CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCCC1 ZINC001305845318 1069394837 /nfs/dbraw/zinc/39/48/37/1069394837.db2.gz BZDSLBZJVIMBOL-MSOLQXFVSA-N 1 0 460.648 3.148 20 0 JGADRO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC001305850859 1069404102 /nfs/dbraw/zinc/40/41/02/1069404102.db2.gz UPZMLMKWKFJCGE-YRPNKDGESA-N 1 0 462.639 3.148 20 0 JGADRO CC[C@]1(C)CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001305878705 1069432193 /nfs/dbraw/zinc/43/21/93/1069432193.db2.gz GFVRWKXGJONJMN-HSZRJFAPSA-N 1 0 474.675 3.131 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001305882387 1069435718 /nfs/dbraw/zinc/43/57/18/1069435718.db2.gz ASYORKIHQZRZPT-HTAPYJJXSA-N 1 0 495.466 3.020 20 0 JGADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001305883001 1069436385 /nfs/dbraw/zinc/43/63/85/1069436385.db2.gz QAJGEELSDQZZCV-AXHZCLLHSA-N 1 0 455.607 3.051 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001305886008 1069441991 /nfs/dbraw/zinc/44/19/91/1069441991.db2.gz MOILXVJMSBSWSG-ZYLNGJIFSA-N 1 0 457.619 3.458 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001305885038 1069440651 /nfs/dbraw/zinc/44/06/51/1069440651.db2.gz ZVVIROJYBWLVFR-DVECYGJZSA-N 1 0 455.607 3.053 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](CC(C)C)[NH+](C)C)CCO1 ZINC001305888337 1069445236 /nfs/dbraw/zinc/44/52/36/1069445236.db2.gz QDXWOKJPKSHFTK-AFMDSPMNSA-N 1 0 481.645 3.174 20 0 JGADRO CCC1(CC)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001305892300 1069449494 /nfs/dbraw/zinc/44/94/94/1069449494.db2.gz ADMNLVRKTWTOLN-RUZDIDTESA-N 1 0 473.618 3.054 20 0 JGADRO CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCC(O)CC2)CCS1 ZINC001305897064 1069454080 /nfs/dbraw/zinc/45/40/80/1069454080.db2.gz IHEWLNXOKYYNJC-LJQANCHMSA-N 1 0 451.681 3.131 20 0 JGADRO CCc1ccc([C@H](Cn2c(C)nnc2N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)[NH+](C)C)cc1 ZINC001305914603 1069469238 /nfs/dbraw/zinc/46/92/38/1069469238.db2.gz COFCDPCLNOHAOO-DRLORSAXSA-N 1 0 495.716 3.078 20 0 JGADRO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(C)C)C2)[NH+](C)C)cc1 ZINC001305915196 1069469753 /nfs/dbraw/zinc/46/97/53/1069469753.db2.gz HTJNPZKBIJXVHE-FCHUYYIVSA-N 1 0 456.635 3.143 20 0 JGADRO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)[NH+](C)C)cc1 ZINC001305917501 1069471930 /nfs/dbraw/zinc/47/19/30/1069471930.db2.gz OYCGBDNEUOSPBE-RXVVDRJESA-N 1 0 456.635 3.285 20 0 JGADRO CCc1ccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCCN(C(=O)C(C)C)CC2)[NH+](C)C)cc1 ZINC001305920506 1069475747 /nfs/dbraw/zinc/47/57/47/1069475747.db2.gz SGPTWSLXQKIHMG-DNQXCXABSA-N 1 0 482.673 3.342 20 0 JGADRO CCc1ccc([C@H](Cn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)[NH+](C)C)cc1 ZINC001305918326 1069473156 /nfs/dbraw/zinc/47/31/56/1069473156.db2.gz LPEBYYSAUSRNRJ-CVDCTZTESA-N 1 0 488.702 3.271 20 0 JGADRO CCc1ccc([C@H](Cn2c(-c3cccn3C)nnc2N2CCCN(CC)C(=O)C2)[NH+](C)C)cc1 ZINC001305920227 1069475360 /nfs/dbraw/zinc/47/53/60/1069475360.db2.gz XHKGJDXOXXEHFK-QHCPKHFHSA-N 1 0 463.630 3.208 20 0 JGADRO CCc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnn(C)c2)[NH+](C)C)cc1 ZINC001305921143 1069476875 /nfs/dbraw/zinc/47/68/75/1069476875.db2.gz WUUNOMOTKOLFGX-DEOSSOPVSA-N 1 0 458.614 3.499 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2C[C@H](C)O[C@H](COC)C2)[NH+](C)C)cc1 ZINC001305921629 1069477392 /nfs/dbraw/zinc/47/73/92/1069477392.db2.gz VEHUZZGZNVMZMA-FDTGPBLFSA-N 1 0 457.619 3.235 20 0 JGADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001298214950 1064131154 /nfs/dbraw/zinc/13/11/54/1064131154.db2.gz WONRTWBAWYFUCR-NRFANRHFSA-N 1 0 467.593 3.057 20 0 JGADRO CN(CC(=O)NC(C)(C)C)c1nnc(CC2CCCC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001298218738 1064132543 /nfs/dbraw/zinc/13/25/43/1064132543.db2.gz PBDGUWLOEYXICA-UHFFFAOYSA-N 1 0 460.667 3.007 20 0 JGADRO 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IDAMPAIYSKOIKD-PGUFJCEWSA-N 1 0 498.697 3.419 20 0 JGADRO CN(Cc1ccsc1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298427572 1064247567 /nfs/dbraw/zinc/24/75/67/1064247567.db2.gz XSGPQRBGTFUGBM-FQEVSTJZSA-N 1 0 459.641 3.387 20 0 JGADRO CC(C)c1nc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001298437114 1064251157 /nfs/dbraw/zinc/25/11/57/1064251157.db2.gz BTSPPDCDJJVUNI-UHFFFAOYSA-N 1 0 451.402 3.017 20 0 JGADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(Cc2cccnc2)n1CCCC[NH+]1CCOCC1 ZINC001298443433 1064255284 /nfs/dbraw/zinc/25/52/84/1064255284.db2.gz ZSOGINQNNLZSRH-UHFFFAOYSA-N 1 0 495.575 3.488 20 0 JGADRO CN(Cc1ncc(Cl)n1C)c1nnc([C@@H]2CCOC2)n1CCCCC[NH+]1CCCCC1 ZINC001298451158 1064258786 /nfs/dbraw/zinc/25/87/86/1064258786.db2.gz LWFORKQJYPKJRT-GOSISDBHSA-N 1 0 450.031 3.462 20 0 JGADRO CN(Cc1ncnn1CC(F)F)c1nnc(CC(C)(C)C)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001298462047 1064263205 /nfs/dbraw/zinc/26/32/05/1064263205.db2.gz FMPFWYRVZGWTIK-INIZCTEOSA-N 1 0 452.598 3.480 20 0 JGADRO CN(Cc1ncnn1CC(F)F)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001298462400 1064263604 /nfs/dbraw/zinc/26/36/04/1064263604.db2.gz KAHFHXGQNAHMSO-HOTGVXAUSA-N 1 0 480.589 3.377 20 0 JGADRO CN(Cc1ccon1)c1nnc(-c2ccccc2Br)n1CC[NH+]1CCSCC1 ZINC001298468427 1064267498 /nfs/dbraw/zinc/26/74/98/1064267498.db2.gz DSMLBNPVIZYZBM-UHFFFAOYSA-N 1 0 463.405 3.381 20 0 JGADRO CN(CC1CC(F)C1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001298482397 1064274220 /nfs/dbraw/zinc/27/42/20/1064274220.db2.gz SFNBPOYHECKBLW-UHFFFAOYSA-N 1 0 469.403 3.067 20 0 JGADRO CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+]3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC001298533609 1064295940 /nfs/dbraw/zinc/29/59/40/1064295940.db2.gz CYOPWHSAWPJCSQ-GGAORHGYSA-N 1 0 456.631 3.447 20 0 JGADRO CN(C[C@H]1CCCCO1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCCC1 ZINC001298542338 1064303343 /nfs/dbraw/zinc/30/33/43/1064303343.db2.gz UVDLBHSQVCQJIW-NHCUHLMSSA-N 1 0 492.665 3.078 20 0 JGADRO 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Cn1cc(C[N@@H+]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(C(C)(C)O)cc3)CC2)cn1 ZINC001298827994 1064631277 /nfs/dbraw/zinc/63/12/77/1064631277.db2.gz JHPSGQMGBJNFEQ-UHFFFAOYSA-N 1 0 465.646 3.297 20 0 JGADRO Cn1ccc(CCn2c(C3CCCC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC001298840459 1064643018 /nfs/dbraw/zinc/64/30/18/1064643018.db2.gz KSEUWMQNSBCXEN-UHFFFAOYSA-N 1 0 469.556 3.003 20 0 JGADRO Cn1ccc(Nc2nnc(-c3ccc(Br)s3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001298843540 1064645990 /nfs/dbraw/zinc/64/59/90/1064645990.db2.gz WGNXJQROKJOVLZ-AWEZNQCLSA-N 1 0 480.436 3.483 20 0 JGADRO Cn1ccc(Nc2nnc(-c3cccc(Br)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001298843587 1064646886 /nfs/dbraw/zinc/64/68/86/1064646886.db2.gz XIUDNEOTCGHZJV-GOSISDBHSA-N 1 0 474.407 3.422 20 0 JGADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC001298847273 1064651251 /nfs/dbraw/zinc/65/12/51/1064651251.db2.gz UMFYNGQVSHCOQM-MRXNPFEDSA-N 1 0 458.962 3.099 20 0 JGADRO Cn1cccc1-c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCOC(C)(C)C ZINC001298857978 1064660883 /nfs/dbraw/zinc/66/08/83/1064660883.db2.gz JEMJBVGENRBFTI-UHFFFAOYSA-N 1 0 458.651 3.428 20 0 JGADRO CN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC001298877544 1064682418 /nfs/dbraw/zinc/68/24/18/1064682418.db2.gz GXOGYFVQNIWNSK-IBGZPJMESA-N 1 0 454.800 3.416 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC001298878206 1064683321 /nfs/dbraw/zinc/68/33/21/1064683321.db2.gz KMAIXIXLEIFBSU-GCJKJVERSA-N 1 0 478.435 3.026 20 0 JGADRO CN(Cc1ccsc1)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298879872 1064685071 /nfs/dbraw/zinc/68/50/71/1064685071.db2.gz QYTRTNPRYVGVSE-FQEVSTJZSA-N 1 0 462.417 3.472 20 0 JGADRO CN(Cc1csc(Br)c1)c1nnc(-c2ccccc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298879724 1064685204 /nfs/dbraw/zinc/68/52/04/1064685204.db2.gz PVQLZQMRIQOEPA-FQEVSTJZSA-N 1 0 462.417 3.472 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298880815 1064686970 /nfs/dbraw/zinc/68/69/70/1064686970.db2.gz AKMQTOUZUSLGFC-QFIPXVFZSA-N 1 0 486.444 3.482 20 0 JGADRO CN(c1nnc(CC2CC2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@H](CF)c1ccc(Br)cc1 ZINC001298881468 1064687536 /nfs/dbraw/zinc/68/75/36/1064687536.db2.gz FZQLQBXZMGQAKY-WIYYLYMNSA-N 1 0 466.399 3.207 20 0 JGADRO CN(CCC1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298882030 1064688530 /nfs/dbraw/zinc/68/85/30/1064688530.db2.gz OMYZJVCMYQYIER-MHZLTWQESA-N 1 0 485.673 3.474 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001298886176 1064692994 /nfs/dbraw/zinc/69/29/94/1064692994.db2.gz NOTMSUAMRYZMGD-QFBILLFUSA-N 1 0 466.051 3.342 20 0 JGADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001298886373 1064693843 /nfs/dbraw/zinc/69/38/43/1064693843.db2.gz GDCJGGVPRCMXLE-NRFANRHFSA-N 1 0 489.064 3.080 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298886368 1064693965 /nfs/dbraw/zinc/69/39/65/1064693965.db2.gz GCWZHOXUITZVFK-IAGOWNOFSA-N 1 0 457.541 3.250 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001298886196 1064694085 /nfs/dbraw/zinc/69/40/85/1064694085.db2.gz OHMGBMMGTUZGAR-LJQANCHMSA-N 1 0 476.572 3.369 20 0 JGADRO CN(CCOc1ccccc1Cl)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298886747 1064694928 /nfs/dbraw/zinc/69/49/28/1064694928.db2.gz SEWHVTSTHJFCNJ-IOZGHAEBSA-N 1 0 492.064 3.432 20 0 JGADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC(F)(F)F)CC1 ZINC001298886845 1064695748 /nfs/dbraw/zinc/69/57/48/1064695748.db2.gz HUTZGAJMCXPMTF-IBGZPJMESA-N 1 0 482.526 3.093 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001298887445 1064696423 /nfs/dbraw/zinc/69/64/23/1064696423.db2.gz JXSARNBLCSSDDE-OALUTQOASA-N 1 0 465.689 3.064 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001298887447 1064696697 /nfs/dbraw/zinc/69/66/97/1064696697.db2.gz JXSARNBLCSSDDE-RTBURBONSA-N 1 0 465.689 3.064 20 0 JGADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)CC2)cc1 ZINC001298887766 1064697366 /nfs/dbraw/zinc/69/73/66/1064697366.db2.gz NEDSQQNDJWSIPX-GBXCKJPGSA-N 1 0 455.624 3.175 20 0 JGADRO Cn1cccc1-c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298897997 1064704369 /nfs/dbraw/zinc/70/43/69/1064704369.db2.gz QPDAXUWGFJBQJC-QGZVFWFLSA-N 1 0 453.557 3.088 20 0 JGADRO C[N@@H+]1CCN(CCn2c(N3CCO[C@@H](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903389 1064708335 /nfs/dbraw/zinc/70/83/35/1064708335.db2.gz OIQRNHFEZLZBHI-QFIPXVFZSA-N 1 0 454.663 3.050 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001298917079 1064718345 /nfs/dbraw/zinc/71/83/45/1064718345.db2.gz TURVACCVPBRNBA-MAUKXSAKSA-N 1 0 475.435 3.153 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001298942582 1064734300 /nfs/dbraw/zinc/73/43/00/1064734300.db2.gz SCVDJBVRIYTFRJ-NRFANRHFSA-N 1 0 475.641 3.137 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001298942650 1064734862 /nfs/dbraw/zinc/73/48/62/1064734862.db2.gz GBVQVYPVHCFUDT-FQEVSTJZSA-N 1 0 487.718 3.498 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001298942713 1064735049 /nfs/dbraw/zinc/73/50/49/1064735049.db2.gz HFKSJHCSDGFFCW-UHFFFAOYSA-N 1 0 452.647 3.148 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001298952745 1064743954 /nfs/dbraw/zinc/74/39/54/1064743954.db2.gz GDEAAIYHHMVDPT-HSALFYBXSA-N 1 0 474.625 3.496 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+]1CCC[C@@H]1C ZINC001298954451 1064746115 /nfs/dbraw/zinc/74/61/15/1064746115.db2.gz BTMMFONGRYWFNR-CABCVRRESA-N 1 0 481.414 3.149 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001298966633 1064756465 /nfs/dbraw/zinc/75/64/65/1064756465.db2.gz VVKQWPTUUZSXDW-FQEVSTJZSA-N 1 0 498.672 3.196 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2Br)n1C[C@H](c1ccco1)[NH+](C)C ZINC001298972427 1064762981 /nfs/dbraw/zinc/76/29/81/1064762981.db2.gz XQEVGZCILZVYDI-MAUKXSAKSA-N 1 0 489.418 3.422 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001298972528 1064763045 /nfs/dbraw/zinc/76/30/45/1064763045.db2.gz OYESGGOGBCNECB-LEWJYISDSA-N 1 0 492.672 3.460 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001298973559 1064763595 /nfs/dbraw/zinc/76/35/95/1064763595.db2.gz ZLZZRCAISNYXEK-PCCBWWKXSA-N 1 0 498.672 3.293 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001298974420 1064764174 /nfs/dbraw/zinc/76/41/74/1064764174.db2.gz WACWNXMIEUQSBV-UZLBHIALSA-N 1 0 455.994 3.115 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001298984244 1064769216 /nfs/dbraw/zinc/76/92/16/1064769216.db2.gz LDXYKHMNMZSSFV-APWZRJJASA-N 1 0 458.994 3.237 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001298992202 1064775740 /nfs/dbraw/zinc/77/57/40/1064775740.db2.gz IMFYILHPTKBSHB-AVRDEDQJSA-N 1 0 479.654 3.464 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001298994618 1064776614 /nfs/dbraw/zinc/77/66/14/1064776614.db2.gz XPAQDQNQNVOOCR-NRFANRHFSA-N 1 0 474.694 3.112 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccccc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001298999217 1064778592 /nfs/dbraw/zinc/77/85/92/1064778592.db2.gz CXGZGAKHKYKWMA-GOSISDBHSA-N 1 0 460.598 3.079 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001299002154 1064781019 /nfs/dbraw/zinc/78/10/19/1064781019.db2.gz MUELPLMJOCWCQD-FGZHOGPDSA-N 1 0 470.662 3.413 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCC2)C1 ZINC001299004346 1064785336 /nfs/dbraw/zinc/78/53/36/1064785336.db2.gz BNHHDWGRTZBYHQ-MHECFPHRSA-N 1 0 472.609 3.394 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001299006190 1064788803 /nfs/dbraw/zinc/78/88/03/1064788803.db2.gz MYBFFAXUNHMQOX-SANMLTNESA-N 1 0 484.645 3.189 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001299012383 1064795377 /nfs/dbraw/zinc/79/53/77/1064795377.db2.gz FKXPXADNMMVRPY-BCHFMIIMSA-N 1 0 484.645 3.188 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001299012015 1064795437 /nfs/dbraw/zinc/79/54/37/1064795437.db2.gz DSFDYAQYAUSSDT-XDHUDOTRSA-N 1 0 475.037 3.301 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001299014961 1064798034 /nfs/dbraw/zinc/79/80/34/1064798034.db2.gz PASNHGJXMLHVLS-HOZJOUCCSA-N 1 0 493.027 3.199 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001299015444 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Cc1ccc(NC(=O)c2nnc(N3CCCN(c4ncccc4F)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492267074 1065362420 /nfs/dbraw/zinc/36/24/20/1065362420.db2.gz UJKPEZADYCGYEI-FQEVSTJZSA-N 1 0 494.619 3.348 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCOCC[NH+](C)C)cc1C ZINC001492273573 1065366737 /nfs/dbraw/zinc/36/67/37/1065366737.db2.gz GOXDWMRCCQVDQC-SANMLTNESA-N 1 0 486.661 3.367 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492273706 1065366766 /nfs/dbraw/zinc/36/67/66/1065366766.db2.gz KSERBCCEWZTOPB-GOSISDBHSA-N 1 0 468.524 3.255 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC4(CCCCC4)C3)n2CCOCC[NH+](C)C)cc1C ZINC001492274241 1065368509 /nfs/dbraw/zinc/36/85/09/1065368509.db2.gz YBVGUGDYZHVZQI-UHFFFAOYSA-N 1 0 484.645 3.265 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492275773 1065369579 /nfs/dbraw/zinc/36/95/79/1065369579.db2.gz KXQYPGLWELZSIB-FUPPJEDESA-N 1 0 484.645 3.118 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@H]4CCOC4)n3CC[NH+](C(C)C)C(C)C)C2)nc1 ZINC001492281230 1065374518 /nfs/dbraw/zinc/37/45/18/1065374518.db2.gz OYFWXRFGXXRUDL-YADHBBJMSA-N 1 0 483.661 3.459 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001492286638 1065378560 /nfs/dbraw/zinc/37/85/60/1065378560.db2.gz FZWUCEJPQBGXAM-NRFANRHFSA-N 1 0 454.619 3.287 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001492288922 1065383041 /nfs/dbraw/zinc/38/30/41/1065383041.db2.gz QHWRDOXKSVTZQF-JOCHJYFZSA-N 1 0 491.640 3.148 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001492238531 1065383929 /nfs/dbraw/zinc/38/39/29/1065383929.db2.gz SFGFMZHQFWWZPD-OAQYLSRUSA-N 1 0 492.628 3.075 20 0 JGADRO Cc1ccc(OC(F)F)c(Cn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001492303146 1065386704 /nfs/dbraw/zinc/38/67/04/1065386704.db2.gz QAZMOLQSVJUZRF-UHFFFAOYSA-N 1 0 476.572 3.279 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cnn1C ZINC001492321389 1065395832 /nfs/dbraw/zinc/39/58/32/1065395832.db2.gz ZRBHXUWILXNBPQ-OAQYLSRUSA-N 1 0 481.645 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001492329370 1065399924 /nfs/dbraw/zinc/39/99/24/1065399924.db2.gz KAIDVKHJYZCAAG-DEOSSOPVSA-N 1 0 484.689 3.363 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001492337592 1065405387 /nfs/dbraw/zinc/40/53/87/1065405387.db2.gz HUETWUUAWGOETF-YADHBBJMSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001492338868 1065406907 /nfs/dbraw/zinc/40/69/07/1065406907.db2.gz RUVIIVYOVOAGRB-FDFHNCONSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492353742 1065416297 /nfs/dbraw/zinc/41/62/97/1065416297.db2.gz KOZNSQYKIYENAM-NHCUHLMSSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001492362146 1065423123 /nfs/dbraw/zinc/42/31/23/1065423123.db2.gz BNQRMNDBTIEYKG-AREMUKBSSA-N 1 0 468.646 3.391 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492364294 1065427157 /nfs/dbraw/zinc/42/71/57/1065427157.db2.gz VXCUCBKWHLPFET-OAQYLSRUSA-N 1 0 498.672 3.147 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001492367351 1065427263 /nfs/dbraw/zinc/42/72/63/1065427263.db2.gz BSTKJGIZHMULQK-JOCHJYFZSA-N 1 0 476.419 3.029 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492371387 1065435085 /nfs/dbraw/zinc/43/50/85/1065435085.db2.gz PZZXKMHLRXRBNX-VXKWHMMOSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2nccc(C(F)F)n2)cc1 ZINC001492382721 1065444800 /nfs/dbraw/zinc/44/48/00/1065444800.db2.gz AUZQUULOXAXPAI-UHFFFAOYSA-N 1 0 457.529 3.472 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@H+]2CC=CCC2)cc1 ZINC001492383976 1065449425 /nfs/dbraw/zinc/44/94/25/1065449425.db2.gz DFFSCYHGFRFGDF-JOCHJYFZSA-N 1 0 466.630 3.121 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001492383947 1065449547 /nfs/dbraw/zinc/44/95/47/1065449547.db2.gz ZVRJMJPGKCDZNQ-UHFFFAOYSA-N 1 0 470.662 3.197 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001492384806 1065451437 /nfs/dbraw/zinc/45/14/37/1065451437.db2.gz KVEMQHWSDMLKBP-UHFFFAOYSA-N 1 0 478.645 3.401 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCCOC(F)(F)F)cc1 ZINC001492385641 1065453843 /nfs/dbraw/zinc/45/38/43/1065453843.db2.gz SZBKXIGDBCKFSD-UHFFFAOYSA-N 1 0 483.535 3.393 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1C ZINC001492390857 1065455722 /nfs/dbraw/zinc/45/57/22/1065455722.db2.gz DIWJCIVHFPNBSW-FQEVSTJZSA-N 1 0 468.627 3.165 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492346140 1065461084 /nfs/dbraw/zinc/46/10/84/1065461084.db2.gz YUKHDXXMCJUTMT-LEWJYISDSA-N 1 0 457.619 3.198 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001492395492 1065467704 /nfs/dbraw/zinc/46/77/04/1065467704.db2.gz TZTSEJAVPRBCFG-SFHVURJKSA-N 1 0 453.509 3.417 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001492399483 1065468369 /nfs/dbraw/zinc/46/83/69/1065468369.db2.gz BATVWMJJQRTNTA-NRFANRHFSA-N 1 0 459.660 3.102 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001492401989 1065471613 /nfs/dbraw/zinc/47/16/13/1065471613.db2.gz QHZFOXDUXCBIBJ-URXFXBBRSA-N 1 0 459.660 3.118 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001492402394 1065472577 /nfs/dbraw/zinc/47/25/77/1065472577.db2.gz SBCYHTDADROJPL-HXUWFJFHSA-N 1 0 459.660 3.343 20 0 JGADRO Cc1nc([C@@H]2CN(c3nnc(COc4ccc(C)cc4)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)no1 ZINC001492402976 1065473501 /nfs/dbraw/zinc/47/35/01/1065473501.db2.gz XTMWVLXMEZPMRP-UNMCSNQZSA-N 1 0 483.617 3.411 20 0 JGADRO Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC001492408960 1065474206 /nfs/dbraw/zinc/47/42/06/1065474206.db2.gz PPPLQOSNHMISHW-NRFANRHFSA-N 1 0 454.619 3.258 20 0 JGADRO Cc1ccc(OCCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001492412059 1065476229 /nfs/dbraw/zinc/47/62/29/1065476229.db2.gz LAFYKDNMKNFSBE-QFIPXVFZSA-N 1 0 454.619 3.364 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001492418815 1065479429 /nfs/dbraw/zinc/47/94/29/1065479429.db2.gz NCEWFDNMJISMOP-JOCHJYFZSA-N 1 0 468.646 3.458 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492421499 1065481916 /nfs/dbraw/zinc/48/19/16/1065481916.db2.gz QPQIDTPBSHRFCH-FCHUYYIVSA-N 1 0 489.686 3.124 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492421502 1065482975 /nfs/dbraw/zinc/48/29/75/1065482975.db2.gz QPQIDTPBSHRFCH-YADHBBJMSA-N 1 0 489.686 3.124 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001492425212 1065484522 /nfs/dbraw/zinc/48/45/22/1065484522.db2.gz VOGWKOYNXJFZCS-JTHBVZDNSA-N 1 0 457.619 3.454 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCC2)cc1 ZINC001492442534 1065498286 /nfs/dbraw/zinc/49/82/86/1065498286.db2.gz VLRBOPLOBJOPBS-UHFFFAOYSA-N 1 0 476.691 3.074 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001492452611 1065503598 /nfs/dbraw/zinc/50/35/98/1065503598.db2.gz IIOWCWWMRNFVJC-VQTJNVASSA-N 1 0 456.660 3.278 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001492461703 1065510481 /nfs/dbraw/zinc/51/04/81/1065510481.db2.gz HJYFVDBHPNUYGF-MOPGFXCFSA-N 1 0 456.660 3.453 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CC(=O)NC(C)C)cc1 ZINC001492462024 1065510599 /nfs/dbraw/zinc/51/05/99/1065510599.db2.gz LOPZWQJBGDGNKH-FQEVSTJZSA-N 1 0 456.660 3.468 20 0 JGADRO Cc1ccc(SCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC001492469253 1065517968 /nfs/dbraw/zinc/51/79/68/1065517968.db2.gz DZEXCCOBFINZKX-VQTJNVASSA-N 1 0 492.715 3.054 20 0 JGADRO Cc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001492478420 1065524306 /nfs/dbraw/zinc/52/43/06/1065524306.db2.gz LVKLEVZJARXFLZ-QFIPXVFZSA-N 1 0 468.646 3.221 20 0 JGADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C[NH+](C)C)CC1(C)C ZINC001300796145 1065526855 /nfs/dbraw/zinc/52/68/55/1065526855.db2.gz RMLLTJCDAQBGTK-INIZCTEOSA-N 1 0 453.429 3.485 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1C ZINC001300809599 1065540560 /nfs/dbraw/zinc/54/05/60/1065540560.db2.gz KKMVHTBYHWBUIZ-CGBFIWBNSA-N 1 0 463.026 3.354 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[NH+]2CCOCC2)CC1(C)C ZINC001300827113 1065556302 /nfs/dbraw/zinc/55/63/02/1065556302.db2.gz RIGSWEBIMJHNAG-OAQYLSRUSA-N 1 0 463.573 3.121 20 0 JGADRO CO[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)CC[C@H]1C ZINC001300835670 1065571444 /nfs/dbraw/zinc/57/14/44/1065571444.db2.gz WBTYYTWJMLXTCD-YKSBVNFPSA-N 1 0 464.614 3.114 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)CC[C@@H]1C ZINC001300835666 1065571528 /nfs/dbraw/zinc/57/15/28/1065571528.db2.gz WBTYYTWJMLXTCD-GBXCKJPGSA-N 1 0 464.614 3.114 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC[C@H]1C ZINC001300841651 1065579783 /nfs/dbraw/zinc/57/97/83/1065579783.db2.gz IBLCOFBHVLWHAJ-TYCQWZJGSA-N 1 0 457.648 3.365 20 0 JGADRO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CC2CC[NH+](CCN(C)C)CC2)CC[C@H]1C ZINC001300842925 1065580832 /nfs/dbraw/zinc/58/08/32/1065580832.db2.gz OIADFIXVQXJLLO-RCZVLFRGSA-N 1 0 484.689 3.300 20 0 JGADRO CO[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)(C)C)CC[C@@H]1C ZINC001300843051 1065581612 /nfs/dbraw/zinc/58/16/12/1065581612.db2.gz VIWADDPKFCUNKM-LADGPHEKSA-N 1 0 484.689 3.319 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCSCC2)CC1(C)C ZINC001300846109 1065589771 /nfs/dbraw/zinc/58/97/71/1065589771.db2.gz BVJMJDQVWWUBLI-GUDVDZBRSA-N 1 0 451.681 3.107 20 0 JGADRO CO[C@@H]1COCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300856234 1065606068 /nfs/dbraw/zinc/60/60/68/1065606068.db2.gz SZSWHYOWDZUZMC-RBBKRZOGSA-N 1 0 484.645 3.119 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300903594 1065701259 /nfs/dbraw/zinc/70/12/59/1065701259.db2.gz MIOUOUOXUOKYSN-LJQANCHMSA-N 1 0 489.064 3.450 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001300903716 1065701864 /nfs/dbraw/zinc/70/18/64/1065701864.db2.gz QVDSEWAJUAXMDB-QFIPXVFZSA-N 1 0 493.656 3.201 20 0 JGADRO 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CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001302430548 1067016800 /nfs/dbraw/zinc/01/68/00/1067016800.db2.gz BNJYCPNMNTZYEM-JOCHJYFZSA-N 1 0 454.619 3.003 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001302431315 1067019095 /nfs/dbraw/zinc/01/90/95/1067019095.db2.gz ITCPVXOSKSNEBU-RTBURBONSA-N 1 0 474.053 3.466 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001302432591 1067022439 /nfs/dbraw/zinc/02/24/39/1067022439.db2.gz YHXXNQSMGCDBKN-WIYYLYMNSA-N 1 0 484.674 3.032 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001302432860 1067023098 /nfs/dbraw/zinc/02/30/98/1067023098.db2.gz FVWYGCVUNUTBKP-NRFANRHFSA-N 1 0 470.637 3.483 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 ZINC001303979542 1067027298 /nfs/dbraw/zinc/02/72/98/1067027298.db2.gz JPHKCBQHZIQFOC-UHFFFAOYSA-N 1 0 472.653 3.429 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(COc3ccccc3F)n2CC2([NH+](C)C)CCC2)C1 ZINC001302435450 1067029555 /nfs/dbraw/zinc/02/95/55/1067029555.db2.gz VJFXUWSOIPDZDG-HXUWFJFHSA-N 1 0 486.636 3.469 20 0 JGADRO CS(=O)(=O)[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCC2)C1 ZINC001302438802 1067033765 /nfs/dbraw/zinc/03/37/65/1067033765.db2.gz JAKNIILIZIBQQA-LJQANCHMSA-N 1 0 495.640 3.427 20 0 JGADRO CS(=O)(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)CC1 ZINC001302439397 1067034753 /nfs/dbraw/zinc/03/47/53/1067034753.db2.gz PCDMYVHKXCFHJN-UHFFFAOYSA-N 1 0 472.442 3.361 20 0 JGADRO CC(C)C(=O)NCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC1(C)C ZINC001302444047 1067042889 /nfs/dbraw/zinc/04/28/89/1067042889.db2.gz ZRQXTARSJUGLHP-UHFFFAOYSA-N 1 0 481.689 3.184 20 0 JGADRO CC(C)C(=O)NCCCn1c(-c2cccnc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001302446222 1067044988 /nfs/dbraw/zinc/04/49/88/1067044988.db2.gz NBLSZCMYKFHVEX-QHCPKHFHSA-N 1 0 461.614 3.213 20 0 JGADRO CC1=C(Br)CN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001304003751 1067046496 /nfs/dbraw/zinc/04/64/96/1067046496.db2.gz DOHZUJCNLNMLFB-QGZVFWFLSA-N 1 0 467.456 3.256 20 0 JGADRO CC1=C(Br)CN(c2nnc(Cc3ccncc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001304005194 1067047544 /nfs/dbraw/zinc/04/75/44/1067047544.db2.gz STWKQCUERADNKK-UHFFFAOYSA-N 1 0 489.462 3.378 20 0 JGADRO CS(=O)(=O)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001302456294 1067057891 /nfs/dbraw/zinc/05/78/91/1067057891.db2.gz PRRCGTMKVCWYMH-UHFFFAOYSA-N 1 0 466.051 3.488 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@@]2(O)CC[N@H+](C)C2)c1C ZINC001304017235 1067060693 /nfs/dbraw/zinc/06/06/93/1067060693.db2.gz DGAKHOKGZMAEDK-DYESRHJHSA-N 1 0 455.525 3.490 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304018556 1067062321 /nfs/dbraw/zinc/06/23/21/1067062321.db2.gz FOLCYASDMRAGCH-HXAGEGRHSA-N 1 0 470.662 3.286 20 0 JGADRO 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CC(C)[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001302487447 1067087249 /nfs/dbraw/zinc/08/72/49/1067087249.db2.gz KHBRVUFMEQZWAL-OFNKIYASSA-N 1 0 492.462 3.416 20 0 JGADRO Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCC[C@H]3C)C2)sc1C ZINC001304045433 1067087906 /nfs/dbraw/zinc/08/79/06/1067087906.db2.gz PQVKQYSPPUZADG-VQIMIIECSA-N 1 0 459.664 3.358 20 0 JGADRO Cc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)sc1C ZINC001304046237 1067089115 /nfs/dbraw/zinc/08/91/15/1067089115.db2.gz PCSDQUCJGBEKSX-LJQANCHMSA-N 1 0 459.664 3.102 20 0 JGADRO Cc1nc(CN2CCN(c3nnc(CCCc4ccccc4)n3C[C@@H](C)[NH+](C)C)CC2)oc1C ZINC001304046262 1067089388 /nfs/dbraw/zinc/08/93/88/1067089388.db2.gz XFMHTJKGAKMUOK-HXUWFJFHSA-N 1 0 465.646 3.331 20 0 JGADRO Cc1nc(CCn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)sc1C ZINC001304050979 1067093039 /nfs/dbraw/zinc/09/30/39/1067093039.db2.gz VDVRTBMSQSBSAV-DEOSSOPVSA-N 1 0 476.691 3.413 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](C)[NH+](C)C ZINC001304056824 1067096747 /nfs/dbraw/zinc/09/67/47/1067096747.db2.gz DLWSPUQPCQIJPH-IRXDYDNUSA-N 1 0 461.680 3.369 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@@H](C)[NH+](C)C ZINC001304056823 1067096772 /nfs/dbraw/zinc/09/67/72/1067096772.db2.gz DLWSPUQPCQIJPH-IAGOWNOFSA-N 1 0 461.680 3.369 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CC(C)(C)C[NH+](C)C ZINC001304057250 1067097564 /nfs/dbraw/zinc/09/75/64/1067097564.db2.gz LJMMSYCFHIQCRC-IRXDYDNUSA-N 1 0 493.747 3.465 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCOC(C)(C)C)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001304057544 1067098525 /nfs/dbraw/zinc/09/85/25/1067098525.db2.gz UQGABOMGDWVYMO-KRWDZBQOSA-N 1 0 491.706 3.281 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)(F)F)n1C[C@H](C1CC1)[NH+](C)C ZINC001304057614 1067098894 /nfs/dbraw/zinc/09/88/94/1067098894.db2.gz XDKDVPJVXFAZDP-MRXNPFEDSA-N 1 0 487.596 3.275 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001302503933 1067104392 /nfs/dbraw/zinc/10/43/92/1067104392.db2.gz PPDAEAAJSVIEHV-FQEVSTJZSA-N 1 0 482.677 3.377 20 0 JGADRO C[S@](=O)C1(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001302508801 1067113506 /nfs/dbraw/zinc/11/35/06/1067113506.db2.gz TZSUZKHYCNYGIC-YTTGMZPUSA-N 1 0 458.676 3.123 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001302509791 1067115946 /nfs/dbraw/zinc/11/59/46/1067115946.db2.gz GKUMILIRQLPNEZ-UNMCSNQZSA-N 1 0 474.694 3.424 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001302509589 1067115980 /nfs/dbraw/zinc/11/59/80/1067115980.db2.gz GKUMILIRQLPNEZ-IRLDBZIGSA-N 1 0 474.694 3.424 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001302509831 1067116642 /nfs/dbraw/zinc/11/66/42/1067116642.db2.gz HOBHOEGFBHTUSJ-FUPPJEDESA-N 1 0 474.694 3.424 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001302509843 1067116656 /nfs/dbraw/zinc/11/66/56/1067116656.db2.gz HRAYSIFYPQNDMA-OAQYLSRUSA-N 1 0 489.753 3.270 20 0 JGADRO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC001304077621 1067122219 /nfs/dbraw/zinc/12/22/19/1067122219.db2.gz GWBPVGRPDVEZJE-UZINWLIJSA-N 1 0 487.693 3.365 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCOCC1 ZINC001302511973 1067123689 /nfs/dbraw/zinc/12/36/89/1067123689.db2.gz AGAAVGWDMTVFHP-LPHOPBHVSA-N 1 0 495.466 3.396 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001302512821 1067125507 /nfs/dbraw/zinc/12/55/07/1067125507.db2.gz GOPQKQSXBWLUFQ-DNVCBOLYSA-N 1 0 493.425 3.279 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001302513102 1067126954 /nfs/dbraw/zinc/12/69/54/1067126954.db2.gz IEUVSCSNUAFTOO-SJLPKXTDSA-N 1 0 483.480 3.334 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001302513053 1067127042 /nfs/dbraw/zinc/12/70/42/1067127042.db2.gz HETGIFWDXCZAPK-YLJYHZDGSA-N 1 0 478.435 3.290 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001302513970 1067128663 /nfs/dbraw/zinc/12/86/63/1067128663.db2.gz NFJWETXPJFFYNO-NRFANRHFSA-N 1 0 470.643 3.095 20 0 JGADRO CSC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001302513808 1067128669 /nfs/dbraw/zinc/12/86/69/1067128669.db2.gz SSZOMSHCXGPZFU-INIZCTEOSA-N 1 0 483.480 3.478 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@H]1C)[NH+]1CCOCC1 ZINC001302514765 1067131730 /nfs/dbraw/zinc/13/17/30/1067131730.db2.gz SLMFFNXKPBKNHI-QAPCUYQASA-N 1 0 483.480 3.334 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001302515286 1067133470 /nfs/dbraw/zinc/13/34/70/1067133470.db2.gz WSLNKEGQWDZVRV-YLJYHZDGSA-N 1 0 478.435 3.290 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001302515630 1067133795 /nfs/dbraw/zinc/13/37/95/1067133795.db2.gz ZPRPGOYZOGLVKP-RBUKOAKNSA-N 1 0 481.066 3.127 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(CCc2ccccc2)n1CCC[NH+]1CCC(O)CC1 ZINC001304094186 1067137560 /nfs/dbraw/zinc/13/75/60/1067137560.db2.gz BXDXIRAZUPNQOU-UHFFFAOYSA-N 1 0 454.644 3.311 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1)[NH+]1CCCC1 ZINC001302522907 1067142763 /nfs/dbraw/zinc/14/27/63/1067142763.db2.gz GQAKJWIQHRPJAG-PMACEKPBSA-N 1 0 462.639 3.306 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302523939 1067145177 /nfs/dbraw/zinc/14/51/77/1067145177.db2.gz MGDROEXYNSBCCH-PMACEKPBSA-N 1 0 464.655 3.252 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001302524294 1067145812 /nfs/dbraw/zinc/14/58/12/1067145812.db2.gz FGRRWZBGGWSDFS-TZIWHRDSSA-N 1 0 479.595 3.457 20 0 JGADRO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001302525071 1067146417 /nfs/dbraw/zinc/14/64/17/1067146417.db2.gz ANEFTCFATCQADJ-OTWHNJEPSA-N 1 0 494.706 3.401 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001302524744 1067146486 /nfs/dbraw/zinc/14/64/86/1067146486.db2.gz JPCCZAAPEAWYNM-PZJWPPBQSA-N 1 0 459.038 3.344 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302525243 1067147393 /nfs/dbraw/zinc/14/73/93/1067147393.db2.gz LYCADPPLIGCNJB-FGZHOGPDSA-N 1 0 483.661 3.488 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCCC1 ZINC001302525550 1067148573 /nfs/dbraw/zinc/14/85/73/1067148573.db2.gz NRXINTULUBXARC-RXVVDRJESA-N 1 0 459.038 3.310 20 0 JGADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F)[NH+]1CCCC1 ZINC001302526176 1067150044 /nfs/dbraw/zinc/15/00/44/1067150044.db2.gz VEIAUSAGNZDPHT-QGZVFWFLSA-N 1 0 452.598 3.480 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001302526361 1067150477 /nfs/dbraw/zinc/15/04/77/1067150477.db2.gz TWNGQRWCKXZKIZ-FQEVSTJZSA-N 1 0 465.689 3.064 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001302526363 1067150567 /nfs/dbraw/zinc/15/05/67/1067150567.db2.gz TWQKNXCRYVKYFJ-JOCHJYFZSA-N 1 0 482.677 3.014 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCCC1 ZINC001302527080 1067152444 /nfs/dbraw/zinc/15/24/44/1067152444.db2.gz YCNUEUVHZCOWHU-JOCHJYFZSA-N 1 0 456.610 3.220 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)N1CCOCC1 ZINC001302526949 1067152462 /nfs/dbraw/zinc/15/24/62/1067152462.db2.gz WSPNIUXFGDWNIJ-PKTZIBPZSA-N 1 0 476.710 3.087 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001302527521 1067153466 /nfs/dbraw/zinc/15/34/66/1067153466.db2.gz YDXLHWSPDPRKQY-HKBOAZHASA-N 1 0 460.667 3.034 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001302527520 1067153471 /nfs/dbraw/zinc/15/34/71/1067153471.db2.gz YDXLHWSPDPRKQY-HBMCJLEFSA-N 1 0 460.667 3.034 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCCC1 ZINC001302527539 1067154161 /nfs/dbraw/zinc/15/41/61/1067154161.db2.gz YIISHQKXVGREIA-FXAWDEMLSA-N 1 0 499.603 3.354 20 0 JGADRO CC(C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001302529119 1067157766 /nfs/dbraw/zinc/15/77/66/1067157766.db2.gz RXZAZLBQOMFFAF-CTNGQTDRSA-N 1 0 496.077 3.254 20 0 JGADRO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001302529115 1067157900 /nfs/dbraw/zinc/15/79/00/1067157900.db2.gz RXOIZYISBMZSKY-ROUUACIJSA-N 1 0 456.557 3.300 20 0 JGADRO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)C1)[NH+]1CCCC1 ZINC001302529117 1067157938 /nfs/dbraw/zinc/15/79/38/1067157938.db2.gz RXXRCWHHOMGCQI-INIZCTEOSA-N 1 0 452.575 3.235 20 0 JGADRO CC(C)[C@@H](Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001302531375 1067160320 /nfs/dbraw/zinc/16/03/20/1067160320.db2.gz IVGKTWIHONXSJY-XMMPIXPASA-N 1 0 495.716 3.134 20 0 JGADRO Cc1c(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC([NH2+]C(C)C)CC2)cnn1CC(C)C ZINC001304122164 1067161737 /nfs/dbraw/zinc/16/17/37/1067161737.db2.gz JBYJTVNAYSXQMK-UHFFFAOYSA-N 1 0 498.701 3.446 20 0 JGADRO CC(C)c1ccnc(N2CCN(c3nnc(Cc4ccc(F)cc4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001302535177 1067164989 /nfs/dbraw/zinc/16/49/89/1067164989.db2.gz DFOKLUSTTHOOPV-LJQANCHMSA-N 1 0 466.609 3.198 20 0 JGADRO CS[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001302537087 1067169109 /nfs/dbraw/zinc/16/91/09/1067169109.db2.gz VPPNZZTWVMPQIC-UXHICEINSA-N 1 0 456.660 3.366 20 0 JGADRO CS[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001302541142 1067173187 /nfs/dbraw/zinc/17/31/87/1067173187.db2.gz MKNZFJFRVOLVOL-KRWDZBQOSA-N 1 0 471.656 3.103 20 0 JGADRO 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CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302662493 1067289253 /nfs/dbraw/zinc/28/92/53/1067289253.db2.gz ZBRVCIKUONMCQR-UHFFFAOYSA-N 1 0 486.636 3.128 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001302666288 1067293276 /nfs/dbraw/zinc/29/32/76/1067293276.db2.gz MXJIXUMYBMAFDP-HLAWJBBLSA-N 1 0 498.763 3.407 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001302667702 1067294707 /nfs/dbraw/zinc/29/47/07/1067294707.db2.gz YPTQANZKUVBKET-SLFFLAALSA-N 1 0 486.752 3.122 20 0 JGADRO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCSCC3)CC2)s1 ZINC001304260758 1067296027 /nfs/dbraw/zinc/29/60/27/1067296027.db2.gz XZMKUFUNYKASJL-UHFFFAOYSA-N 1 0 476.716 3.393 20 0 JGADRO Cc1ccc(C(=O)NC2CCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC001304261093 1067296296 /nfs/dbraw/zinc/29/62/96/1067296296.db2.gz ZJKBLEHPZOYPGW-IAGOWNOFSA-N 1 0 474.675 3.243 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001302673719 1067299282 /nfs/dbraw/zinc/29/92/82/1067299282.db2.gz GPICQYPPGRWVAL-FQEVSTJZSA-N 1 0 459.664 3.494 20 0 JGADRO Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC001304267607 1067300052 /nfs/dbraw/zinc/30/00/52/1067300052.db2.gz VAYXJIQYUUTPSF-UHFFFAOYSA-N 1 0 482.673 3.154 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001302675582 1067301134 /nfs/dbraw/zinc/30/11/34/1067301134.db2.gz YROGVQAYAQGTRV-JOCHJYFZSA-N 1 0 488.080 3.102 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001304268132 1067301580 /nfs/dbraw/zinc/30/15/80/1067301580.db2.gz FUYIMVGPYFDNIW-SANMLTNESA-N 1 0 464.614 3.387 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)[NH+](C)C)cc1 ZINC001304272731 1067308511 /nfs/dbraw/zinc/30/85/11/1067308511.db2.gz HTPWMFJFSMWWRX-FPOVZHCZSA-N 1 0 474.675 3.270 20 0 JGADRO Cc1ccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCc2nccs2)[NH+](C)C)cc1 ZINC001304273045 1067309078 /nfs/dbraw/zinc/30/90/78/1067309078.db2.gz HYBIARXMPZXMJJ-HXUWFJFHSA-N 1 0 450.616 3.425 20 0 JGADRO CS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001302683918 1067309271 /nfs/dbraw/zinc/30/92/71/1067309271.db2.gz UGEWOSZFJQFKRJ-VXKWHMMOSA-N 1 0 458.676 3.223 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001302683916 1067309353 /nfs/dbraw/zinc/30/93/53/1067309353.db2.gz UGEWOSZFJQFKRJ-FGZHOGPDSA-N 1 0 458.676 3.223 20 0 JGADRO Cc1ccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001304273782 1067310304 /nfs/dbraw/zinc/31/03/04/1067310304.db2.gz KDEQOLGTESNRGO-WIYYLYMNSA-N 1 0 490.578 3.363 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC(C)(C)O)c1 ZINC001304274266 1067310693 /nfs/dbraw/zinc/31/06/93/1067310693.db2.gz NPQAQGDOJZXDBB-UHFFFAOYSA-N 1 0 471.646 3.361 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001304274191 1067310761 /nfs/dbraw/zinc/31/07/61/1067310761.db2.gz NAYWTQKMJMJNHJ-OAQYLSRUSA-N 1 0 480.613 3.463 20 0 JGADRO Cc1cnn(C[C@@H]2CN(c3nnc(C(C)C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)CCO2)c1 ZINC001304274422 1067311335 /nfs/dbraw/zinc/31/13/35/1067311335.db2.gz NAXXCSWBHUGPFF-XZOQPEGZSA-N 1 0 451.619 3.423 20 0 JGADRO Cc1ccc([C@@H](Cn2c(C3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001304274386 1067311366 /nfs/dbraw/zinc/31/13/66/1067311366.db2.gz MNXYBMYBKGANGF-FGZHOGPDSA-N 1 0 484.645 3.497 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccoc2)[NH+]2CCCC2)cc1 ZINC001304274837 1067311955 /nfs/dbraw/zinc/31/19/55/1067311955.db2.gz NOUODOYEUQLESH-UGKGYDQZSA-N 1 0 486.642 3.263 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001302688571 1067313059 /nfs/dbraw/zinc/31/30/59/1067313059.db2.gz AWOLBFCYNSVFLI-XZOQPEGZSA-N 1 0 473.710 3.189 20 0 JGADRO 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CC(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001302690728 1067316033 /nfs/dbraw/zinc/31/60/33/1067316033.db2.gz WONIWCLEUWXYOQ-HXUWFJFHSA-N 1 0 456.610 3.340 20 0 JGADRO Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2cnn(C)c2)[NH+](C)C)cc1 ZINC001304277597 1067316108 /nfs/dbraw/zinc/31/61/08/1067316108.db2.gz XSJXMVCSXAAOCZ-YADHBBJMSA-N 1 0 464.618 3.103 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC001304277798 1067316627 /nfs/dbraw/zinc/31/66/27/1067316627.db2.gz FXKYWXMVZRYXBD-FHWLQOOXSA-N 1 0 453.509 3.161 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001304278548 1067318061 /nfs/dbraw/zinc/31/80/61/1067318061.db2.gz SBHSJWDJVGNLFA-PWRODBHTSA-N 1 0 477.675 3.216 20 0 JGADRO CCOc1n[nH]c(NC(=O)CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001302693083 1067318145 /nfs/dbraw/zinc/31/81/45/1067318145.db2.gz RITQFJREFQALTR-UHFFFAOYSA-N 1 0 458.563 3.092 20 0 JGADRO 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CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001302731284 1067345668 /nfs/dbraw/zinc/34/56/68/1067345668.db2.gz NYDCZBORHRZKIW-IPVFLDMMSA-N 1 0 490.693 3.332 20 0 JGADRO CSCCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302736966 1067349419 /nfs/dbraw/zinc/34/94/19/1067349419.db2.gz BBRKHLHVRQIEJU-IBGZPJMESA-N 1 0 471.737 3.414 20 0 JGADRO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCNC(=O)C(C)C)cc1Br ZINC001304305806 1067354004 /nfs/dbraw/zinc/35/40/04/1067354004.db2.gz AFKWTZJBLBXYOM-PKOBYXMFSA-N 1 0 489.462 3.461 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001304309360 1067356995 /nfs/dbraw/zinc/35/69/95/1067356995.db2.gz FSPCUFKHMGTEOS-ZWKOTPCHSA-N 1 0 482.551 3.472 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001304309356 1067357216 /nfs/dbraw/zinc/35/72/16/1067357216.db2.gz FSPCUFKHMGTEOS-QZTJIDSGSA-N 1 0 482.551 3.472 20 0 JGADRO CC(C)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001302750579 1067357463 /nfs/dbraw/zinc/35/74/63/1067357463.db2.gz SLNFRSCQKWUFSD-JOCHJYFZSA-N 1 0 489.686 3.068 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001304310404 1067358197 /nfs/dbraw/zinc/35/81/97/1067358197.db2.gz KISDHMVSRFEXLL-LJQANCHMSA-N 1 0 463.648 3.372 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001304311424 1067359127 /nfs/dbraw/zinc/35/91/27/1067359127.db2.gz LQQNWBNJOWUGNE-CJAUYULYSA-N 1 0 450.587 3.459 20 0 JGADRO CSCCCCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302757383 1067361173 /nfs/dbraw/zinc/36/11/73/1067361173.db2.gz UIEJORIBRKSXPN-DENIHFKCSA-N 1 0 462.708 3.143 20 0 JGADRO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001302760412 1067362574 /nfs/dbraw/zinc/36/25/74/1067362574.db2.gz GSAJLVPLMOXGOC-CTNGQTDRSA-N 1 0 451.681 3.173 20 0 JGADRO CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001302762181 1067363611 /nfs/dbraw/zinc/36/36/11/1067363611.db2.gz PXJOPQBOCCUYIO-PZJWPPBQSA-N 1 0 451.681 3.317 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCC(=O)N2)cc1Br ZINC001304317283 1067364582 /nfs/dbraw/zinc/36/45/82/1067364582.db2.gz LBVCVFFBQWDMMX-GOSISDBHSA-N 1 0 475.435 3.215 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC4(COC(=O)N4)CC3)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001304318720 1067366062 /nfs/dbraw/zinc/36/60/62/1067366062.db2.gz ZLDJIDQMAQBTPD-UHFFFAOYSA-N 1 0 491.434 3.435 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC(=O)N(C)C)cc1Br ZINC001304319188 1067366382 /nfs/dbraw/zinc/36/63/82/1067366382.db2.gz XIOZLSVDLLKHTE-UHFFFAOYSA-N 1 0 477.451 3.415 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2CC[N@H+](C)C2CCCCC2)o1 ZINC001304318819 1067366437 /nfs/dbraw/zinc/36/64/37/1067366437.db2.gz BJFVEKLOQYVJDJ-FQEVSTJZSA-N 1 0 492.690 3.219 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)o1 ZINC001304322076 1067369615 /nfs/dbraw/zinc/36/96/15/1067369615.db2.gz LTQOPDNTFOORKL-UYAOXDASSA-N 1 0 488.633 3.139 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001302773654 1067371416 /nfs/dbraw/zinc/37/14/16/1067371416.db2.gz HSPSVYUXKBWVMD-NZQKXSOJSA-N 1 0 451.619 3.450 20 0 JGADRO CSCCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302776367 1067373679 /nfs/dbraw/zinc/37/36/79/1067373679.db2.gz GLFOJCMJTCVXBL-UHFFFAOYSA-N 1 0 487.718 3.363 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001304325286 1067373990 /nfs/dbraw/zinc/37/39/90/1067373990.db2.gz UIBVTLTZUJAWFV-LWFRFFLJSA-N 1 0 490.718 3.389 20 0 JGADRO CC(C)[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC001302780325 1067375324 /nfs/dbraw/zinc/37/53/24/1067375324.db2.gz WEQZQTSNFOMBKF-LADGPHEKSA-N 1 0 471.646 3.412 20 0 JGADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC001302780324 1067375364 /nfs/dbraw/zinc/37/53/64/1067375364.db2.gz WEQZQTSNFOMBKF-ISKFKSNPSA-N 1 0 471.646 3.412 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001304326554 1067375581 /nfs/dbraw/zinc/37/55/81/1067375581.db2.gz VXIWIHNQLLQQJH-UJQZNKFNSA-N 1 0 463.648 3.083 20 0 JGADRO Cc1ccc(-c2nnc(N3CCOCC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1Br ZINC001304328170 1067376667 /nfs/dbraw/zinc/37/66/67/1067376667.db2.gz NPJQRHXHZHADIK-UHFFFAOYSA-N 1 0 491.478 3.126 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC001302784711 1067377234 /nfs/dbraw/zinc/37/72/34/1067377234.db2.gz XKHOWDLGPYONCU-HSZRJFAPSA-N 1 0 468.646 3.150 20 0 JGADRO Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)cc1Br ZINC001304329026 1067377437 /nfs/dbraw/zinc/37/74/37/1067377437.db2.gz ZXYRXGYRWXXNBS-IEBWSBKVSA-N 1 0 478.435 3.088 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(C)(C)O)CCS1 ZINC001302785076 1067377558 /nfs/dbraw/zinc/37/75/58/1067377558.db2.gz ZFAYDBGGQSKVBC-HSZRJFAPSA-N 1 0 486.730 3.382 20 0 JGADRO Cc1ccc([C@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCCC2)o1 ZINC001304334369 1067380805 /nfs/dbraw/zinc/38/08/05/1067380805.db2.gz YWGXWHBPUKOVBI-RBUKOAKNSA-N 1 0 464.636 3.007 20 0 JGADRO Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC001304335154 1067381690 /nfs/dbraw/zinc/38/16/90/1067381690.db2.gz VOVYAYMUHDQEEU-WQMHRJNTSA-N 1 0 488.702 3.140 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC001304337452 1067383489 /nfs/dbraw/zinc/38/34/89/1067383489.db2.gz FISNTTJXFDVRPI-MJGOQNOKSA-N 1 0 492.671 3.325 20 0 JGADRO CSCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001302794893 1067384650 /nfs/dbraw/zinc/38/46/50/1067384650.db2.gz OSPWKQBYTDXIKP-KDURUIRLSA-N 1 0 496.722 3.349 20 0 JGADRO Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)C)CC2)c(OCC(F)(F)F)c1 ZINC001304344484 1067387393 /nfs/dbraw/zinc/38/73/93/1067387393.db2.gz AQFTUJIMLDKCDY-UHFFFAOYSA-N 1 0 494.562 3.342 20 0 JGADRO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CCc3cccs3)CC2)s1 ZINC001304346275 1067388457 /nfs/dbraw/zinc/38/84/57/1067388457.db2.gz ZIFVWIDQPBFSJW-UHFFFAOYSA-N 1 0 458.657 3.261 20 0 JGADRO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001302799895 1067389086 /nfs/dbraw/zinc/38/90/86/1067389086.db2.gz WNXMMRJLGZUJEK-GDBMZVCRSA-N 1 0 453.454 3.472 20 0 JGADRO Cc1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](C(C)C)CC2)c(=O)n1C ZINC001304348545 1067390128 /nfs/dbraw/zinc/39/01/28/1067390128.db2.gz CMFHXUNEZRFFQV-IBGZPJMESA-N 1 0 468.577 3.143 20 0 JGADRO Cc1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](C(C)C)CC2)c(=O)n1C ZINC001304348552 1067390170 /nfs/dbraw/zinc/39/01/70/1067390170.db2.gz CMFHXUNEZRFFQV-LJQANCHMSA-N 1 0 468.577 3.143 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C ZINC001302801893 1067390784 /nfs/dbraw/zinc/39/07/84/1067390784.db2.gz BIESWJXXRSJCIT-SIKLNZKXSA-N 1 0 472.609 3.207 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCc2ccccc2)C1)[NH+](C)C ZINC001302802929 1067391655 /nfs/dbraw/zinc/39/16/55/1067391655.db2.gz GZNUKVLSEWULKE-DHIUTWEWSA-N 1 0 468.646 3.286 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001302803449 1067391889 /nfs/dbraw/zinc/39/18/89/1067391889.db2.gz LACSRILNFIUKDJ-QFIPXVFZSA-N 1 0 489.615 3.095 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001302807723 1067395465 /nfs/dbraw/zinc/39/54/65/1067395465.db2.gz IMPQGSCFLIQUFR-MJGOQNOKSA-N 1 0 477.451 3.386 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC001302807972 1067395568 /nfs/dbraw/zinc/39/55/68/1067395568.db2.gz LFSPXPQBFIBWDV-IBGZPJMESA-N 1 0 462.042 3.274 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001302809328 1067398088 /nfs/dbraw/zinc/39/80/88/1067398088.db2.gz VEBUDOGAJGMKOY-HOYKHHGWSA-N 1 0 476.572 3.239 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001302809430 1067398155 /nfs/dbraw/zinc/39/81/55/1067398155.db2.gz WJYSPQXZRHJVGG-MISYRCLQSA-N 1 0 495.466 3.396 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1)[NH+](C)C ZINC001302811185 1067399128 /nfs/dbraw/zinc/39/91/28/1067399128.db2.gz FEAWUNCRFJLCRL-QFIPXVFZSA-N 1 0 481.620 3.361 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001302811889 1067399573 /nfs/dbraw/zinc/39/95/73/1067399573.db2.gz MLRSLUUVOKJABI-QGZVFWFLSA-N 1 0 469.556 3.144 20 0 JGADRO CSCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001302813366 1067400856 /nfs/dbraw/zinc/40/08/56/1067400856.db2.gz GUSZXJPJXBTMLM-UHFFFAOYSA-N 1 0 457.692 3.396 20 0 JGADRO Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](CC(C)C)CC2)c(=O)n1C ZINC001304362997 1067401119 /nfs/dbraw/zinc/40/11/19/1067401119.db2.gz SBIVDZIDUGNMHK-UHFFFAOYSA-N 1 0 485.032 3.344 20 0 JGADRO CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302815595 1067402293 /nfs/dbraw/zinc/40/22/93/1067402293.db2.gz WSXPQBIUGJROFZ-UHFFFAOYSA-N 1 0 465.614 3.449 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001302816488 1067403175 /nfs/dbraw/zinc/40/31/75/1067403175.db2.gz IGCGOMQANGPESG-SIKLNZKXSA-N 1 0 495.672 3.420 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001302816681 1067403705 /nfs/dbraw/zinc/40/37/05/1067403705.db2.gz AUCWYPOQWOPHHM-NMLBUPMWSA-N 1 0 464.655 3.108 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302816697 1067403788 /nfs/dbraw/zinc/40/37/88/1067403788.db2.gz AZEOBYWPXPDTCX-LEWJYISDSA-N 1 0 471.650 3.344 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302816682 1067403817 /nfs/dbraw/zinc/40/38/17/1067403817.db2.gz AUCWYPOQWOPHHM-UAFMIMERSA-N 1 0 464.655 3.108 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001302817054 1067404144 /nfs/dbraw/zinc/40/41/44/1067404144.db2.gz CJXCMSVFFHYTOC-SIKLNZKXSA-N 1 0 477.650 3.465 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001302817053 1067404167 /nfs/dbraw/zinc/40/41/67/1067404167.db2.gz CJXCMSVFFHYTOC-KNQAVFIVSA-N 1 0 477.650 3.465 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001302817425 1067404661 /nfs/dbraw/zinc/40/46/61/1067404661.db2.gz DDIJGHCTCKMCBE-QFZWGZQFSA-N 1 0 456.635 3.015 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302818025 1067405756 /nfs/dbraw/zinc/40/57/56/1067405756.db2.gz LSFYXXBPMBOCTR-NJDAHSKKSA-N 1 0 494.681 3.226 20 0 JGADRO CSCCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001302818298 1067406071 /nfs/dbraw/zinc/40/60/71/1067406071.db2.gz LIVCZSDCAOMCMF-NZQKXSOJSA-N 1 0 468.675 3.270 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001302819103 1067406529 /nfs/dbraw/zinc/40/65/29/1067406529.db2.gz OVFOEQHQIBCFQG-QAPCUYQASA-N 1 0 493.534 3.338 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001302819101 1067406543 /nfs/dbraw/zinc/40/65/43/1067406543.db2.gz OVFOEQHQIBCFQG-MAUKXSAKSA-N 1 0 493.534 3.338 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302818648 1067406622 /nfs/dbraw/zinc/40/66/22/1067406622.db2.gz NYGOKOTXNFTZCJ-OALUTQOASA-N 1 0 472.659 3.416 20 0 JGADRO Cc1ccc(CSCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001304366941 1067406705 /nfs/dbraw/zinc/40/67/05/1067406705.db2.gz LXFQRVHEDQYRTC-NRFANRHFSA-N 1 0 456.660 3.249 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C2(CCC2)C1)[NH+](C)C ZINC001302820569 1067408322 /nfs/dbraw/zinc/40/83/22/1067408322.db2.gz QKPUXCWESQTVOA-VAMGGRTRSA-N 1 0 451.681 3.173 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C2(CCC2)C1)[NH+](C)C ZINC001302820570 1067408332 /nfs/dbraw/zinc/40/83/32/1067408332.db2.gz QKPUXCWESQTVOA-XUVXKRRUSA-N 1 0 451.681 3.173 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001302820476 1067408406 /nfs/dbraw/zinc/40/84/06/1067408406.db2.gz SDQNMYAWSVLEIN-LJQANCHMSA-N 1 0 456.616 3.145 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001302820899 1067408721 /nfs/dbraw/zinc/40/87/21/1067408721.db2.gz VDTXTVZONDIYOX-RBUKOAKNSA-N 1 0 481.645 3.172 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nncn1C)[NH+](C)C ZINC001302820885 1067408730 /nfs/dbraw/zinc/40/87/30/1067408730.db2.gz RWLNJRXKVCVXFU-SFTDATJTSA-N 1 0 454.598 3.454 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1)[NH+](C)C ZINC001302821033 1067409194 /nfs/dbraw/zinc/40/91/94/1067409194.db2.gz TVATUONUBMTBAJ-SFTDATJTSA-N 1 0 490.643 3.282 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2F)CC1)[NH+](C)C ZINC001302821500 1067409311 /nfs/dbraw/zinc/40/93/11/1067409311.db2.gz IGUFHWIAFUCWBY-OAQYLSRUSA-N 1 0 466.609 3.101 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+](C)C ZINC001302821286 1067409710 /nfs/dbraw/zinc/40/97/10/1067409710.db2.gz VGSCZDYZVYQPKZ-TUNNFDKTSA-N 1 0 456.610 3.041 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001302821348 1067409730 /nfs/dbraw/zinc/40/97/30/1067409730.db2.gz WZJODKHYAGHFMD-IPMKNSEASA-N 1 0 472.638 3.096 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+](C)C ZINC001302821280 1067409741 /nfs/dbraw/zinc/40/97/41/1067409741.db2.gz VEYBBUOLMFHYNK-UZLBHIALSA-N 1 0 464.561 3.111 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+](C)C ZINC001302821469 1067410098 /nfs/dbraw/zinc/41/00/98/1067410098.db2.gz WPWVWABFSPABLD-FCHUYYIVSA-N 1 0 462.683 3.232 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)[NH+](C)C ZINC001302821435 1067410124 /nfs/dbraw/zinc/41/01/24/1067410124.db2.gz VZCMQRYCHVEGJX-DEOSSOPVSA-N 1 0 489.668 3.264 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C3CCCCC3)[NH+](C)C)CC2=O)cc1 ZINC001304372053 1067410222 /nfs/dbraw/zinc/41/02/22/1067410222.db2.gz UHGDNTBNGFKASA-QHCPKHFHSA-N 1 0 495.672 3.088 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)[NH+](C)C ZINC001302821905 1067410519 /nfs/dbraw/zinc/41/05/19/1067410519.db2.gz YQRREZPPURZZJZ-DEOSSOPVSA-N 1 0 493.631 3.228 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302821683 1067410554 /nfs/dbraw/zinc/41/05/54/1067410554.db2.gz YIIZLBJJIHYWLI-UWHLTILDSA-N 1 0 478.682 3.498 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC001304373417 1067411205 /nfs/dbraw/zinc/41/12/05/1067411205.db2.gz VCGTVTSVSFYTOV-JOCHJYFZSA-N 1 0 467.662 3.316 20 0 JGADRO CC(C)CC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001302823579 1067412537 /nfs/dbraw/zinc/41/25/37/1067412537.db2.gz AJYMXYZWTWFHHD-GOSISDBHSA-N 1 0 454.685 3.025 20 0 JGADRO CC(C)C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001302823830 1067412564 /nfs/dbraw/zinc/41/25/64/1067412564.db2.gz VMGWMLQBJGKVFN-ZEQRLZLVSA-N 1 0 465.646 3.351 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304373971 1067412586 /nfs/dbraw/zinc/41/25/86/1067412586.db2.gz GXONFMBOMHCYRT-OAQYLSRUSA-N 1 0 466.586 3.223 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001302824404 1067413316 /nfs/dbraw/zinc/41/33/16/1067413316.db2.gz JUKJLUSXYXYEJF-YYTDSSBASA-N 1 0 474.694 3.374 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C)C1)[NH+](C)C ZINC001302824608 1067413813 /nfs/dbraw/zinc/41/38/13/1067413813.db2.gz OYQMJBGETNQCBJ-ZRNYENFQSA-N 1 0 464.655 3.250 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C)C1)[NH+](C)C ZINC001302824606 1067413868 /nfs/dbraw/zinc/41/38/68/1067413868.db2.gz OYQMJBGETNQCBJ-VNTMZGSJSA-N 1 0 464.655 3.250 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001302824743 1067413874 /nfs/dbraw/zinc/41/38/74/1067413874.db2.gz RWVQLZGPBHJFNH-FGZHOGPDSA-N 1 0 454.619 3.068 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+](C)C ZINC001302824773 1067414294 /nfs/dbraw/zinc/41/42/94/1067414294.db2.gz SUMPEUPJIUZXJO-VNTMZGSJSA-N 1 0 471.712 3.042 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCC(F)(F)F)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304375685 1067415733 /nfs/dbraw/zinc/41/57/33/1067415733.db2.gz ONVYHJDPUZGBJJ-UHFFFAOYSA-N 1 0 482.551 3.383 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001302828226 1067418115 /nfs/dbraw/zinc/41/81/15/1067418115.db2.gz HDWWSAADTCVCNQ-RTBURBONSA-N 1 0 462.664 3.046 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001304376720 1067418602 /nfs/dbraw/zinc/41/86/02/1067418602.db2.gz AGEUURHULHSEHE-XKCSPQBFSA-N 1 0 495.672 3.325 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001302829214 1067418933 /nfs/dbraw/zinc/41/89/33/1067418933.db2.gz MUVKYNOYSQZVQC-WHUARKNTSA-N 1 0 461.676 3.258 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302834701 1067421779 /nfs/dbraw/zinc/42/17/79/1067421779.db2.gz CTSPUJZIASZRLT-RTWAWAEBSA-N 1 0 454.667 3.492 20 0 JGADRO O=C(N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001302835079 1067422459 /nfs/dbraw/zinc/42/24/59/1067422459.db2.gz NPBWEDVMIUTQOL-CABCVRRESA-N 1 0 451.283 3.455 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC[NH+]2CCCC2)cc1C ZINC001304378970 1067423370 /nfs/dbraw/zinc/42/33/70/1067423370.db2.gz SZGHWXPOFJVQTR-UHFFFAOYSA-N 1 0 495.672 3.328 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001304379318 1067423903 /nfs/dbraw/zinc/42/39/03/1067423903.db2.gz JACJQQSIZJWLJU-JOCHJYFZSA-N 1 0 468.646 3.476 20 0 JGADRO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[N@H+]1CC=CCC1 ZINC001302839905 1067426397 /nfs/dbraw/zinc/42/63/97/1067426397.db2.gz JUFQBFQZUFEYDC-OAQYLSRUSA-N 1 0 458.676 3.310 20 0 JGADRO CC(C)Cc1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302839425 1067426441 /nfs/dbraw/zinc/42/64/41/1067426441.db2.gz NHEGVIVWEJUARW-UHFFFAOYSA-N 1 0 478.588 3.065 20 0 JGADRO C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1O ZINC001302841798 1067428487 /nfs/dbraw/zinc/42/84/87/1067428487.db2.gz JXLGJJUQENUCPP-FYQPLNBISA-N 1 0 488.633 3.453 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCc2cn[nH]c2)cc1C ZINC001304380964 1067428830 /nfs/dbraw/zinc/42/88/30/1067428830.db2.gz ZBLKLGJXFSCKSS-UHFFFAOYSA-N 1 0 450.591 3.080 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)N2CCOCC2)cc1C ZINC001304382242 1067430543 /nfs/dbraw/zinc/43/05/43/1067430543.db2.gz FLTYBKOPTMOFQM-UHFFFAOYSA-N 1 0 497.688 3.036 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001304383832 1067433413 /nfs/dbraw/zinc/43/34/13/1067433413.db2.gz NCCPQMAFKBXFBT-YADHBBJMSA-N 1 0 484.645 3.263 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCc2cn[nH]c2)cc1C ZINC001304383818 1067433458 /nfs/dbraw/zinc/43/34/58/1067433458.db2.gz MVXVUPWQBSMCFR-UHFFFAOYSA-N 1 0 450.591 3.034 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCOC(C)(C)C)cc1C ZINC001304385486 1067438102 /nfs/dbraw/zinc/43/81/02/1067438102.db2.gz XYWWDQIVCGEPFT-UHFFFAOYSA-N 1 0 454.619 3.494 20 0 JGADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302853899 1067438201 /nfs/dbraw/zinc/43/82/01/1067438201.db2.gz ZDSIEBVLMPRQKA-XPNTWCBSSA-N 1 0 450.501 3.311 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1C ZINC001304385608 1067438453 /nfs/dbraw/zinc/43/84/53/1067438453.db2.gz ZCPNLQKNXNCMOX-UGKGYDQZSA-N 1 0 454.619 3.491 20 0 JGADRO CC(C)Cc1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CCN1CCOC[C@@H]1C ZINC001302855763 1067438679 /nfs/dbraw/zinc/43/86/79/1067438679.db2.gz VDWFKZSWFKGZIC-LADGPHEKSA-N 1 0 454.663 3.156 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC001302856597 1067439530 /nfs/dbraw/zinc/43/95/30/1067439530.db2.gz TTYSRUVPMIYQJN-ZTFGCOKTSA-N 1 0 468.499 3.135 20 0 JGADRO CC(C)Cc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CC(C)(C)C[NH+]1CCCC1 ZINC001302857126 1067440076 /nfs/dbraw/zinc/44/00/76/1067440076.db2.gz NCEQDBBNHFWTRQ-UHFFFAOYSA-N 1 0 466.630 3.331 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@H+]3CC=CCC3)C2)nc1 ZINC001304386308 1067440415 /nfs/dbraw/zinc/44/04/15/1067440415.db2.gz DFKNZLSTKGBKNT-OAQYLSRUSA-N 1 0 451.619 3.297 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C2)nc1 ZINC001304386305 1067440428 /nfs/dbraw/zinc/44/04/28/1067440428.db2.gz CXEJNMPFCHXGJG-OAQYLSRUSA-N 1 0 496.704 3.160 20 0 JGADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1F ZINC001302862977 1067445540 /nfs/dbraw/zinc/44/55/40/1067445540.db2.gz VBGQEQWHQDMURC-APWZRJJASA-N 1 0 474.581 3.335 20 0 JGADRO CC(C)Cc1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302865588 1067446690 /nfs/dbraw/zinc/44/66/90/1067446690.db2.gz BQBFXOCWGJINOJ-LVXARBLLSA-N 1 0 471.646 3.240 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCCNC(=O)c1cccc(O)c1 ZINC001302867828 1067448472 /nfs/dbraw/zinc/44/84/72/1067448472.db2.gz YIQMSIJFNLUKPW-HXUWFJFHSA-N 1 0 498.672 3.082 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@]3([NH+](C)C)CCSC3)CC2)nc1 ZINC001304389287 1067448479 /nfs/dbraw/zinc/44/84/79/1067448479.db2.gz KCBQTKQDTSNZGN-RUZDIDTESA-N 1 0 485.702 3.472 20 0 JGADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001302870707 1067450791 /nfs/dbraw/zinc/45/07/91/1067450791.db2.gz FBTHQNYBLANQLL-GOSISDBHSA-N 1 0 472.609 3.453 20 0 JGADRO Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001304393115 1067452670 /nfs/dbraw/zinc/45/26/70/1067452670.db2.gz NXOPMYIFMRFXIX-FPOVZHCZSA-N 1 0 454.619 3.316 20 0 JGADRO Cc1ccc(O[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001304393326 1067453824 /nfs/dbraw/zinc/45/38/24/1067453824.db2.gz QFBIJTNSSJJSSB-NRFANRHFSA-N 1 0 465.602 3.058 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001302872061 1067454662 /nfs/dbraw/zinc/45/46/62/1067454662.db2.gz JBRHWOUNUNUMSD-JOCHJYFZSA-N 1 0 474.694 3.064 20 0 JGADRO Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001304394287 1067454989 /nfs/dbraw/zinc/45/49/89/1067454989.db2.gz ZBRUGJDPXCGNGF-HXUWFJFHSA-N 1 0 454.619 3.257 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302872730 1067456106 /nfs/dbraw/zinc/45/61/06/1067456106.db2.gz PVBVKTRZTFNGGY-LADGPHEKSA-N 1 0 482.673 3.323 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001302873566 1067457576 /nfs/dbraw/zinc/45/75/76/1067457576.db2.gz ZTIFJFMMKIXWLA-GOSISDBHSA-N 1 0 470.622 3.103 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001304397102 1067459246 /nfs/dbraw/zinc/45/92/46/1067459246.db2.gz LPNHOPSXFJFBGN-FQEVSTJZSA-N 1 0 477.613 3.177 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001302880188 1067461428 /nfs/dbraw/zinc/46/14/28/1067461428.db2.gz PSJQPVNXUYAVCT-UPVQGACJSA-N 1 0 462.038 3.147 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001304399245 1067461866 /nfs/dbraw/zinc/46/18/66/1067461866.db2.gz XIOYXIBOETWGNJ-PCCBWWKXSA-N 1 0 486.661 3.062 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302880631 1067462049 /nfs/dbraw/zinc/46/20/49/1067462049.db2.gz VTSCKDDDSKOGHY-HXAGEGRHSA-N 1 0 452.647 3.479 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001302882487 1067463888 /nfs/dbraw/zinc/46/38/88/1067463888.db2.gz IYVDOZPSROGLJT-SELNLUPBSA-N 1 0 489.686 3.473 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001304401916 1067464260 /nfs/dbraw/zinc/46/42/60/1067464260.db2.gz MULLBFNGSDGRDW-UHFFFAOYSA-N 1 0 484.689 3.363 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCC[N@H+](C)C2CCCCC2)CCN1S(C)(=O)=O ZINC001302883556 1067465757 /nfs/dbraw/zinc/46/57/57/1067465757.db2.gz XZQFIAPHJBHLHR-IBGZPJMESA-N 1 0 492.665 3.209 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001304403812 1067466189 /nfs/dbraw/zinc/46/61/89/1067466189.db2.gz LRNJAIGIIBRQAE-QNWVGRARSA-N 1 0 457.619 3.280 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1ccc2c(c1)C(=O)NCC2 ZINC001302888796 1067468578 /nfs/dbraw/zinc/46/85/78/1067468578.db2.gz DWBFTIFGLAVNSZ-UHFFFAOYSA-N 1 0 452.647 3.367 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001302890312 1067469582 /nfs/dbraw/zinc/46/95/82/1067469582.db2.gz CMNOFLQJUYBFNM-FQEVSTJZSA-N 1 0 489.709 3.407 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302890140 1067469633 /nfs/dbraw/zinc/46/96/33/1067469633.db2.gz ACRCOMVVXYEJBX-QHAWAJNXSA-N 1 0 476.666 3.492 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001304407134 1067471584 /nfs/dbraw/zinc/47/15/84/1067471584.db2.gz IVUSUDKUKGBDQG-AREMUKBSSA-N 1 0 470.662 3.197 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001304408728 1067473907 /nfs/dbraw/zinc/47/39/07/1067473907.db2.gz WPJPPDBTFFFKRF-BDTNDASRSA-N 1 0 457.619 3.016 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302893378 1067474466 /nfs/dbraw/zinc/47/44/66/1067474466.db2.gz ZCCHWVFCMNAKIG-KDYSTLNUSA-N 1 0 498.720 3.367 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001302893464 1067474487 /nfs/dbraw/zinc/47/44/87/1067474487.db2.gz ZHHSYDYSWMSEHB-GOSISDBHSA-N 1 0 472.600 3.492 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCC[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001302893834 1067474858 /nfs/dbraw/zinc/47/48/58/1067474858.db2.gz DJXXTKUGXNVWTP-FQEVSTJZSA-N 1 0 469.634 3.195 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001304409823 1067475705 /nfs/dbraw/zinc/47/57/05/1067475705.db2.gz VJBJHECDQWIZAL-JOCHJYFZSA-N 1 0 467.536 3.401 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001302895642 1067476413 /nfs/dbraw/zinc/47/64/13/1067476413.db2.gz VAKYPTDFLXBYGK-OAQYLSRUSA-N 1 0 459.660 3.012 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001304410469 1067476463 /nfs/dbraw/zinc/47/64/63/1067476463.db2.gz FQGHTYYKPINYNH-JLRUASKGSA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001304411878 1067480166 /nfs/dbraw/zinc/48/01/66/1067480166.db2.gz IAPNAPMHLBDLCJ-OAQYLSRUSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001304412080 1067480579 /nfs/dbraw/zinc/48/05/79/1067480579.db2.gz ITSRJNMIUQDEDH-OAQYLSRUSA-N 1 0 470.662 3.494 20 0 JGADRO CC(C)Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@](C)(O)c1cccs1 ZINC001302899649 1067481954 /nfs/dbraw/zinc/48/19/54/1067481954.db2.gz LRVBUPIOJZWZOJ-VWLOTQADSA-N 1 0 474.719 3.441 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001304413172 1067482322 /nfs/dbraw/zinc/48/23/22/1067482322.db2.gz PROVHPVQGDQKFM-RLWLMLJZSA-N 1 0 468.646 3.167 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[NH+]2CCC(C)CC2)cc1C ZINC001304413225 1067482392 /nfs/dbraw/zinc/48/23/92/1067482392.db2.gz QOKQXXICNMAKNK-QFIPXVFZSA-N 1 0 468.646 3.298 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001302901780 1067485964 /nfs/dbraw/zinc/48/59/64/1067485964.db2.gz PFRGNIQZLPSRFD-CALCHBBNSA-N 1 0 493.027 3.151 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(Cc4cccnc4)n3CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302902178 1067487137 /nfs/dbraw/zinc/48/71/37/1067487137.db2.gz XKBHXXKVDNXSIL-OYRHEFFESA-N 1 0 470.662 3.405 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001302906100 1067491418 /nfs/dbraw/zinc/49/14/18/1067491418.db2.gz ZQNBBZFHZAMLJL-IMSXRSKXSA-N 1 0 469.678 3.396 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC4CC4)CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001304418363 1067492207 /nfs/dbraw/zinc/49/22/07/1067492207.db2.gz GNQKUDKPCDJFLT-UHFFFAOYSA-N 1 0 454.619 3.002 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC001302908863 1067493446 /nfs/dbraw/zinc/49/34/46/1067493446.db2.gz LYXOEOZDWUUKBM-SZPZYZBQSA-N 1 0 472.653 3.429 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CC(F)(F)F)cc1C ZINC001304420368 1067495869 /nfs/dbraw/zinc/49/58/69/1067495869.db2.gz VABJFVJHALVGOS-SFHVURJKSA-N 1 0 453.509 3.195 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001304420597 1067495902 /nfs/dbraw/zinc/49/59/02/1067495902.db2.gz MPKBYGHHFFWXSF-AREMUKBSSA-N 1 0 481.645 3.239 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccc(N(C)C)nc2)cc1 ZINC001304421373 1067497190 /nfs/dbraw/zinc/49/71/90/1067497190.db2.gz ZBHXUAGCVIBFFP-UHFFFAOYSA-N 1 0 463.630 3.453 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](c4nnc(C(C)C)o4)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001304422682 1067499146 /nfs/dbraw/zinc/49/91/46/1067499146.db2.gz XGFMYBXBNCUEMC-UYAOXDASSA-N 1 0 469.590 3.200 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001302915684 1067499433 /nfs/dbraw/zinc/49/94/33/1067499433.db2.gz TZVQHGNPFLYEFK-PZJWPPBQSA-N 1 0 457.619 3.165 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302915363 1067499493 /nfs/dbraw/zinc/49/94/93/1067499493.db2.gz VKPKKBCTSDQEMP-VQTJNVASSA-N 1 0 475.609 3.237 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001302920780 1067501692 /nfs/dbraw/zinc/50/16/92/1067501692.db2.gz XGRFNSNNVNLMIA-RBBKRZOGSA-N 1 0 482.739 3.095 20 0 JGADRO FC(F)(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001302922626 1067502737 /nfs/dbraw/zinc/50/27/37/1067502737.db2.gz MKHJYPBMNKOEEJ-MRXNPFEDSA-N 1 0 455.351 3.316 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001302923602 1067503755 /nfs/dbraw/zinc/50/37/55/1067503755.db2.gz SREBWUHWSOMIIU-TZIWHRDSSA-N 1 0 493.660 3.138 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302924057 1067504316 /nfs/dbraw/zinc/50/43/16/1067504316.db2.gz WKZCNYPWCHSMFK-QHAWAJNXSA-N 1 0 478.682 3.469 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302924085 1067504362 /nfs/dbraw/zinc/50/43/62/1067504362.db2.gz WRNYUAXHDXUENF-ACRUOGEOSA-N 1 0 462.683 3.105 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)C2CCCCC2)cc1 ZINC001304427413 1067504514 /nfs/dbraw/zinc/50/45/14/1067504514.db2.gz DFDIHKZWYQESMQ-JOCHJYFZSA-N 1 0 454.619 3.317 20 0 JGADRO Cc1ccc(OCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001304428007 1067505201 /nfs/dbraw/zinc/50/52/01/1067505201.db2.gz CRSJRVZKVZANMS-UHFFFAOYSA-N 1 0 463.586 3.280 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302928793 1067506378 /nfs/dbraw/zinc/50/63/78/1067506378.db2.gz HHYLAWICIGWDPV-FQEVSTJZSA-N 1 0 474.625 3.294 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001304429564 1067506855 /nfs/dbraw/zinc/50/68/55/1067506855.db2.gz QUALIODSFLSCPI-FYYLOGMGSA-N 1 0 489.686 3.124 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304429264 1067506953 /nfs/dbraw/zinc/50/69/53/1067506953.db2.gz OXBOHTQKZWGHNS-XZOQPEGZSA-N 1 0 471.646 3.497 20 0 JGADRO CC(C)Cc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001302932508 1067508241 /nfs/dbraw/zinc/50/82/41/1067508241.db2.gz BGHDSLZTVADWOC-UHFFFAOYSA-N 1 0 451.681 3.289 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001302936686 1067510134 /nfs/dbraw/zinc/51/01/34/1067510134.db2.gz HQMTZTOQHOHDFU-JOCHJYFZSA-N 1 0 488.702 3.110 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1cc(COC(C)(C)C)on1 ZINC001302938150 1067511705 /nfs/dbraw/zinc/51/17/05/1067511705.db2.gz GAWLSXPGNNAXJS-HXUWFJFHSA-N 1 0 474.650 3.377 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC001304433243 1067512333 /nfs/dbraw/zinc/51/23/33/1067512333.db2.gz AKWMEXNXROZKBM-DVECYGJZSA-N 1 0 459.660 3.386 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001302939213 1067513047 /nfs/dbraw/zinc/51/30/47/1067513047.db2.gz PDRULWVKNUWKPD-OAQYLSRUSA-N 1 0 478.682 3.330 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@@]4(CCOC4)OC(C)(C)C3)n2CCOCC[NH+](C)C)cc1 ZINC001304434661 1067513914 /nfs/dbraw/zinc/51/39/14/1067513914.db2.gz OHCASWHFSFNUQA-RUZDIDTESA-N 1 0 489.686 3.231 20 0 JGADRO CC(C)n1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)c(=O)[nH]c1=O ZINC001302940710 1067514632 /nfs/dbraw/zinc/51/46/32/1067514632.db2.gz QFGNHQDVCZQPPR-WOJBJXKFSA-N 1 0 452.580 3.123 20 0 JGADRO FC(F)(F)CSCCn1c(Cc2cccnc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302940759 1067515116 /nfs/dbraw/zinc/51/51/16/1067515116.db2.gz AJRKRBQWFAGDRH-UHFFFAOYSA-N 1 0 484.592 3.108 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCS2)CC1 ZINC001302940918 1067515154 /nfs/dbraw/zinc/51/51/54/1067515154.db2.gz FHPHRCIWSKBXIJ-QGZVFWFLSA-N 1 0 485.580 3.112 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nccs2)CC1 ZINC001302941757 1067515630 /nfs/dbraw/zinc/51/56/30/1067515630.db2.gz QJZYFPUMMORFKP-INIZCTEOSA-N 1 0 474.553 3.116 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H]4OCCC[C@H]4C3)n2CCOCC[NH+](C)C)cc1 ZINC001304436990 1067515961 /nfs/dbraw/zinc/51/59/61/1067515961.db2.gz FBUYICOMPRTFSI-UNMCSNQZSA-N 1 0 459.660 3.462 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001304437220 1067516259 /nfs/dbraw/zinc/51/62/59/1067516259.db2.gz CAFSQVFCIFGZMP-FQEVSTJZSA-N 1 0 479.654 3.186 20 0 JGADRO FC(F)(F)SCCn1c(-c2cnccn2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001302943576 1067516315 /nfs/dbraw/zinc/51/63/15/1067516315.db2.gz OPXXYWSYZVNEEF-UHFFFAOYSA-N 1 0 485.580 3.317 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302943898 1067516596 /nfs/dbraw/zinc/51/65/96/1067516596.db2.gz LALYYRWNIBHZFG-UHFFFAOYSA-N 1 0 485.677 3.095 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001302943871 1067516697 /nfs/dbraw/zinc/51/66/97/1067516697.db2.gz KHBURCUQOVSTDR-UHFFFAOYSA-N 1 0 478.563 3.288 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC4CC4)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001304438127 1067518018 /nfs/dbraw/zinc/51/80/18/1067518018.db2.gz USCMPENHYUOTOE-UHFFFAOYSA-N 1 0 456.660 3.326 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001302945167 1067518072 /nfs/dbraw/zinc/51/80/72/1067518072.db2.gz YHVMVRHZBFAOED-QFIPXVFZSA-N 1 0 498.603 3.239 20 0 JGADRO FC(F)C(F)(F)CN1CCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCCCC2)CC1 ZINC001302945323 1067518418 /nfs/dbraw/zinc/51/84/18/1067518418.db2.gz OVWXXPUFMTYBKS-UHFFFAOYSA-N 1 0 483.558 3.162 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001302945552 1067518846 /nfs/dbraw/zinc/51/88/46/1067518846.db2.gz HZWNDKYBYLIKOB-RUZDIDTESA-N 1 0 481.689 3.090 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001304438645 1067519007 /nfs/dbraw/zinc/51/90/07/1067519007.db2.gz OLKPSCZGRMEPQG-UHFFFAOYSA-N 1 0 481.670 3.266 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302946652 1067519963 /nfs/dbraw/zinc/51/99/63/1067519963.db2.gz QBECLYFKHRILNL-HXUWFJFHSA-N 1 0 478.682 3.158 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001304439667 1067520123 /nfs/dbraw/zinc/52/01/23/1067520123.db2.gz VSFVNRWNFWGSAU-RTBURBONSA-N 1 0 456.660 3.324 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001304439665 1067520131 /nfs/dbraw/zinc/52/01/31/1067520131.db2.gz VSFVNRWNFWGSAU-OALUTQOASA-N 1 0 456.660 3.324 20 0 JGADRO FC(F)C(F)(F)COCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001302947718 1067520851 /nfs/dbraw/zinc/52/08/51/1067520851.db2.gz HTZVZDZAZVXYSD-INIZCTEOSA-N 1 0 463.520 3.154 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001302948899 1067522460 /nfs/dbraw/zinc/52/24/60/1067522460.db2.gz VRBPWXFUWBUAGB-GGAORHGYSA-N 1 0 452.647 3.446 20 0 JGADRO FC(F)Oc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@H+]2CC=CCC2)c1 ZINC001302956062 1067527911 /nfs/dbraw/zinc/52/79/11/1067527911.db2.gz ZARKFWFMNQKJHU-UHFFFAOYSA-N 1 0 486.489 3.493 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001302956828 1067528610 /nfs/dbraw/zinc/52/86/10/1067528610.db2.gz KWESHWUAXDNMJK-UHFFFAOYSA-N 1 0 488.677 3.345 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302957009 1067529003 /nfs/dbraw/zinc/52/90/03/1067529003.db2.gz YCZZWZQHPKYNSG-UHFFFAOYSA-N 1 0 458.626 3.178 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302959151 1067531014 /nfs/dbraw/zinc/53/10/14/1067531014.db2.gz PAJKDDKSVQOBPF-ZEQRLZLVSA-N 1 0 487.737 3.170 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302959226 1067531042 /nfs/dbraw/zinc/53/10/42/1067531042.db2.gz RHWWPIMKFAIBOZ-HSZRJFAPSA-N 1 0 481.689 3.358 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001304452657 1067533585 /nfs/dbraw/zinc/53/35/85/1067533585.db2.gz WGEUKTVATIHHJV-NFBKMPQASA-N 1 0 482.654 3.355 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001304452661 1067533727 /nfs/dbraw/zinc/53/37/27/1067533727.db2.gz WGEUKTVATIHHJV-OFNKIYASSA-N 1 0 482.654 3.355 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001302965346 1067535328 /nfs/dbraw/zinc/53/53/28/1067535328.db2.gz RHGPQJQNRGKXOY-BJKOFHAPSA-N 1 0 476.710 3.057 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCn2ccnc2C1 ZINC001302965461 1067535875 /nfs/dbraw/zinc/53/58/75/1067535875.db2.gz DPCZGTXOYKYPJR-LJQANCHMSA-N 1 0 483.583 3.027 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3ccccc3N3CCOCC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304456338 1067536639 /nfs/dbraw/zinc/53/66/39/1067536639.db2.gz NKYCLJSQDSFBTK-UHFFFAOYSA-N 1 0 463.630 3.462 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@]1(O)CCc2ccccc21 ZINC001302966674 1067536885 /nfs/dbraw/zinc/53/68/85/1067536885.db2.gz VHUPPROPGQRIFD-DEOSSOPVSA-N 1 0 495.590 3.402 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302971676 1067539889 /nfs/dbraw/zinc/53/98/89/1067539889.db2.gz GMWAJCAJGNRMAW-NBGIEHNGSA-N 1 0 462.683 3.061 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCOCc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001304462581 1067540755 /nfs/dbraw/zinc/54/07/55/1067540755.db2.gz XADWAICBZVXJHZ-UHFFFAOYSA-N 1 0 477.657 3.328 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001302974292 1067540914 /nfs/dbraw/zinc/54/09/14/1067540914.db2.gz DUWXLOFJZOITCR-QHCPKHFHSA-N 1 0 455.647 3.206 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CCC[NH+]2CCCC2)n1 ZINC001304464386 1067542501 /nfs/dbraw/zinc/54/25/01/1067542501.db2.gz GCJACMLSBYBTOE-UHFFFAOYSA-N 1 0 479.551 3.029 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302977108 1067542773 /nfs/dbraw/zinc/54/27/73/1067542773.db2.gz RJZRMRRZZBKQBB-DQEYMECFSA-N 1 0 485.673 3.398 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302977111 1067543138 /nfs/dbraw/zinc/54/31/38/1067543138.db2.gz RJZRMRRZZBKQBB-RPBOFIJWSA-N 1 0 485.673 3.398 20 0 JGADRO Fc1ccccc1OCc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCCOCC(F)F ZINC001302977513 1067543598 /nfs/dbraw/zinc/54/35/98/1067543598.db2.gz NCRHYVWRMRLIHJ-KRWDZBQOSA-N 1 0 453.509 3.343 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304465370 1067543661 /nfs/dbraw/zinc/54/36/61/1067543661.db2.gz LTIKSHHQPHWSOX-MRXNPFEDSA-N 1 0 450.509 3.481 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001304467782 1067546520 /nfs/dbraw/zinc/54/65/20/1067546520.db2.gz RGLDLEZUZOOCEL-FPOVZHCZSA-N 1 0 469.634 3.434 20 0 JGADRO CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302988095 1067549705 /nfs/dbraw/zinc/54/97/05/1067549705.db2.gz XNLLZOZKGVEKMV-IMRHEYAYSA-N 1 0 464.680 3.017 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304472288 1067550515 /nfs/dbraw/zinc/55/05/15/1067550515.db2.gz MDHIWSKBUGQWRU-RTWAWAEBSA-N 1 0 455.651 3.366 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001304472916 1067551159 /nfs/dbraw/zinc/55/11/59/1067551159.db2.gz AJGONGYQSRLDDC-VXKWHMMOSA-N 1 0 453.635 3.216 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304473389 1067551593 /nfs/dbraw/zinc/55/15/93/1067551593.db2.gz MOKORFPVQZCWTN-HXUWFJFHSA-N 1 0 453.635 3.262 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304475136 1067553268 /nfs/dbraw/zinc/55/32/68/1067553268.db2.gz ZPVKHKVMUQIVIY-NHCUHLMSSA-N 1 0 453.635 3.121 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304475138 1067553320 /nfs/dbraw/zinc/55/33/20/1067553320.db2.gz ZPVKHKVMUQIVIY-SFTDATJTSA-N 1 0 453.635 3.121 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2cccnc2OCC(F)F)n1 ZINC001304476254 1067554409 /nfs/dbraw/zinc/55/44/09/1067554409.db2.gz FEPXURJDLQTUSX-UHFFFAOYSA-N 1 0 457.529 3.266 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001304477816 1067556120 /nfs/dbraw/zinc/55/61/20/1067556120.db2.gz DEZMWFVFIBYBSZ-VQIMIIECSA-N 1 0 451.541 3.062 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCCC(C)(C)C)n1 ZINC001304478624 1067557362 /nfs/dbraw/zinc/55/73/62/1067557362.db2.gz XXWHUZJXMRHWMN-NRFANRHFSA-N 1 0 453.635 3.218 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCCC(C)(C)C)n1 ZINC001304478625 1067557400 /nfs/dbraw/zinc/55/74/00/1067557400.db2.gz XXWHUZJXMRHWMN-OAQYLSRUSA-N 1 0 453.635 3.218 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001304478599 1067557422 /nfs/dbraw/zinc/55/74/22/1067557422.db2.gz WVVAKXQXGWCIIP-OAQYLSRUSA-N 1 0 467.643 3.318 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCN(C)CC(F)(F)F)n1 ZINC001304478845 1067557989 /nfs/dbraw/zinc/55/79/89/1067557989.db2.gz NQUNDYTZYWTERU-UHFFFAOYSA-N 1 0 453.557 3.311 20 0 JGADRO Cc1cccc(CC2(O)CCN(c3nnc(-c4ccc(Cl)nc4)n3CCOCC[NH+](C)C)CC2)c1 ZINC001304481988 1067561673 /nfs/dbraw/zinc/56/16/73/1067561673.db2.gz JJDODHDSMGEGIS-UHFFFAOYSA-N 1 0 499.059 3.454 20 0 JGADRO Cc1cccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)c1 ZINC001304482814 1067562358 /nfs/dbraw/zinc/56/23/58/1067562358.db2.gz LWVSUKCVDYOKFR-QUCCMNQESA-N 1 0 460.648 3.023 20 0 JGADRO Cc1cccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001304484213 1067563688 /nfs/dbraw/zinc/56/36/88/1067563688.db2.gz UJVDZLCFZSVWHE-UEXGIBASSA-N 1 0 460.648 3.021 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304487753 1067566395 /nfs/dbraw/zinc/56/63/95/1067566395.db2.gz WZXLFQFNOQLVJD-BWKNWUBXSA-N 1 0 466.634 3.110 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001303017706 1067571192 /nfs/dbraw/zinc/57/11/92/1067571192.db2.gz UTHZYIVEXBJTIX-LVXARBLLSA-N 1 0 470.662 3.141 20 0 JGADRO Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC001304495279 1067571399 /nfs/dbraw/zinc/57/13/99/1067571399.db2.gz AOXPZJBTWMOIHE-FUPPJEDESA-N 1 0 488.702 3.336 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303021824 1067573779 /nfs/dbraw/zinc/57/37/79/1067573779.db2.gz MKXOOFQFVAGNQC-JXQFQVJHSA-N 1 0 474.675 3.130 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001303021822 1067573845 /nfs/dbraw/zinc/57/38/45/1067573845.db2.gz MKXOOFQFVAGNQC-IMWIBFENSA-N 1 0 474.675 3.130 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC001304500031 1067574899 /nfs/dbraw/zinc/57/48/99/1067574899.db2.gz GZGQPBCQKQDQID-FQEVSTJZSA-N 1 0 477.613 3.218 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303023908 1067576399 /nfs/dbraw/zinc/57/63/99/1067576399.db2.gz ZCMXPQVZLLQUSX-AREMUKBSSA-N 1 0 474.694 3.290 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001304503181 1067577292 /nfs/dbraw/zinc/57/72/92/1067577292.db2.gz WRLCVHBBIYHIRZ-LJQANCHMSA-N 1 0 457.619 3.484 20 0 JGADRO NC(=O)[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001303024746 1067577441 /nfs/dbraw/zinc/57/74/41/1067577441.db2.gz MYWLPOPICLZGDJ-MRXNPFEDSA-N 1 0 478.439 3.004 20 0 JGADRO NC(=O)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001303024745 1067577446 /nfs/dbraw/zinc/57/74/46/1067577446.db2.gz MYWLPOPICLZGDJ-INIZCTEOSA-N 1 0 478.439 3.004 20 0 JGADRO NC(=O)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCCCC2)CC1 ZINC001303025427 1067578151 /nfs/dbraw/zinc/57/81/51/1067578151.db2.gz WWIFBUMXCIFTPM-UHFFFAOYSA-N 1 0 479.398 3.034 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001304505011 1067579120 /nfs/dbraw/zinc/57/91/20/1067579120.db2.gz ZXWHNFSJYQFBPJ-XMMPIXPASA-N 1 0 454.619 3.132 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCNC(=O)C(C)(C)C)c1 ZINC001304506880 1067580506 /nfs/dbraw/zinc/58/05/06/1067580506.db2.gz KONSHLGWVBSUKQ-NRFANRHFSA-N 1 0 468.646 3.392 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304507055 1067580820 /nfs/dbraw/zinc/58/08/20/1067580820.db2.gz PKZIZCFCCTVKJE-NRFANRHFSA-N 1 0 451.619 3.308 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@H](N4CCCC4=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001304507521 1067581429 /nfs/dbraw/zinc/58/14/29/1067581429.db2.gz RPCSCFAJPWDNFT-VXKWHMMOSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCCCC[NH+]2CCCCC2)c1 ZINC001304507880 1067581863 /nfs/dbraw/zinc/58/18/63/1067581863.db2.gz LKDTYASBEUGLHN-JOCHJYFZSA-N 1 0 468.646 3.489 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H]3c3nncn3C)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304509063 1067583246 /nfs/dbraw/zinc/58/32/46/1067583246.db2.gz NFOKJSJIRMEKOD-NRFANRHFSA-N 1 0 452.607 3.366 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001304510738 1067585585 /nfs/dbraw/zinc/58/55/85/1067585585.db2.gz AVUJICXBAWXCNY-WOVHNISZSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)n2CC(C)C)c1 ZINC001304511541 1067587142 /nfs/dbraw/zinc/58/71/42/1067587142.db2.gz DWKHNUPPZYIUPU-XMMPIXPASA-N 1 0 470.662 3.053 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304511561 1067587587 /nfs/dbraw/zinc/58/75/87/1067587587.db2.gz FITAYJVCNNQCGX-HXUWFJFHSA-N 1 0 462.589 3.285 20 0 JGADRO Cc1nn(C)c(C)c1Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001304512066 1067588250 /nfs/dbraw/zinc/58/82/50/1067588250.db2.gz KSPBQXIMTSEEFA-UHFFFAOYSA-N 1 0 451.619 3.342 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001304512650 1067589593 /nfs/dbraw/zinc/58/95/93/1067589593.db2.gz RUHIHAZGAFBYEY-JOCHJYFZSA-N 1 0 468.646 3.202 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2COCCO2)c1 ZINC001304512898 1067589987 /nfs/dbraw/zinc/58/99/87/1067589987.db2.gz XBLZYXOWAWOCRY-QFIPXVFZSA-N 1 0 457.619 3.139 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304513096 1067590438 /nfs/dbraw/zinc/59/04/38/1067590438.db2.gz OUKWJRVTBZCOTM-OAQYLSRUSA-N 1 0 454.619 3.004 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304513120 1067590452 /nfs/dbraw/zinc/59/04/52/1067590452.db2.gz PEMKOXRTLHKXOE-ZVDOUQERSA-N 1 0 497.562 3.432 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001304515025 1067591702 /nfs/dbraw/zinc/59/17/02/1067591702.db2.gz MNHKMYKTAADTLK-GBXCKJPGSA-N 1 0 459.660 3.245 20 0 JGADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001304519408 1067594920 /nfs/dbraw/zinc/59/49/20/1067594920.db2.gz IIPLMDOHGUWVEX-NHCUHLMSSA-N 1 0 456.635 3.279 20 0 JGADRO O=C(C1CCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCC(O)CC2)CC1)C(F)(F)F ZINC001303061226 1067596508 /nfs/dbraw/zinc/59/65/08/1067596508.db2.gz KHGYLPTXMDDLQR-UHFFFAOYSA-N 1 0 471.568 3.205 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001304521134 1067596580 /nfs/dbraw/zinc/59/65/80/1067596580.db2.gz GUYSBJKNLQNGGY-SFHVURJKSA-N 1 0 451.619 3.209 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304525561 1067598759 /nfs/dbraw/zinc/59/87/59/1067598759.db2.gz ITNZKKHGWFVJRV-RUZDIDTESA-N 1 0 472.703 3.238 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CCc2nccs2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304526758 1067599344 /nfs/dbraw/zinc/59/93/44/1067599344.db2.gz SVBZLAGUJQUJFJ-OAQYLSRUSA-N 1 0 481.670 3.332 20 0 JGADRO CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001303067931 1067602686 /nfs/dbraw/zinc/60/26/86/1067602686.db2.gz JRUQRFCKMKHLFC-KRWDZBQOSA-N 1 0 465.440 3.251 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001304533544 1067604385 /nfs/dbraw/zinc/60/43/85/1067604385.db2.gz GPYOHZVUFAFPRW-QFIPXVFZSA-N 1 0 482.673 3.497 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001304535918 1067606630 /nfs/dbraw/zinc/60/66/30/1067606630.db2.gz XRWVPLWZLOEHPY-JOCHJYFZSA-N 1 0 488.702 3.237 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001304536272 1067606920 /nfs/dbraw/zinc/60/69/20/1067606920.db2.gz XXKPNTYRSXJHJZ-HXUWFJFHSA-N 1 0 484.645 3.279 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCC(=O)N(C)C ZINC001304536461 1067607006 /nfs/dbraw/zinc/60/70/06/1067607006.db2.gz BVXYKXASRAQTHC-UHFFFAOYSA-N 1 0 481.689 3.117 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC(=O)NCC(F)(F)F ZINC001304536904 1067608118 /nfs/dbraw/zinc/60/81/18/1067608118.db2.gz ILSYFWJAJJMBGL-UHFFFAOYSA-N 1 0 466.552 3.490 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001304537569 1067609397 /nfs/dbraw/zinc/60/93/97/1067609397.db2.gz QOVXQZQICAYQAW-WOJBJXKFSA-N 1 0 480.579 3.173 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001304538201 1067609760 /nfs/dbraw/zinc/60/97/60/1067609760.db2.gz FUDQXEBKIWDAHB-UNMCSNQZSA-N 1 0 484.645 3.324 20 0 JGADRO O=C(C[NH+]1CCCC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOCC(F)F)CC1 ZINC001303080113 1067614136 /nfs/dbraw/zinc/61/41/36/1067614136.db2.gz NESOVZXAWUPPDU-UHFFFAOYSA-N 1 0 496.990 3.015 20 0 JGADRO Cc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001304544697 1067614901 /nfs/dbraw/zinc/61/49/01/1067614901.db2.gz XUWYFQBQDCFOJJ-NRFANRHFSA-N 1 0 452.647 3.298 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCC2CCOCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001304546633 1067615741 /nfs/dbraw/zinc/61/57/41/1067615741.db2.gz BDVMEGLGAZBTBZ-UHFFFAOYSA-N 1 0 455.647 3.277 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304548101 1067617197 /nfs/dbraw/zinc/61/71/97/1067617197.db2.gz MIQYWOJGGVXCEC-UHFFFAOYSA-N 1 0 456.679 3.455 20 0 JGADRO 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CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001303090283 1067626662 /nfs/dbraw/zinc/62/66/62/1067626662.db2.gz REHZZTAQULPZCQ-AQNXPRMDSA-N 1 0 468.712 3.271 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001303090282 1067626678 /nfs/dbraw/zinc/62/66/78/1067626678.db2.gz REHZZTAQULPZCQ-AABGKKOBSA-N 1 0 468.712 3.271 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001303090285 1067626722 /nfs/dbraw/zinc/62/67/22/1067626722.db2.gz REHZZTAQULPZCQ-ZCNNSNEGSA-N 1 0 468.712 3.271 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001304558201 1067626857 /nfs/dbraw/zinc/62/68/57/1067626857.db2.gz WWWHFSFQKZFRRO-UNMCSNQZSA-N 1 0 452.647 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(c3nccnc3C)CC2)n1CCC[N@@H+](C)C(C)C ZINC001304558717 1067627549 /nfs/dbraw/zinc/62/75/49/1067627549.db2.gz DBAJFQJQWGEBIY-UHFFFAOYSA-N 1 0 462.646 3.333 20 0 JGADRO 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CC(C)[N@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCCOCC1 ZINC001303278605 1067807220 /nfs/dbraw/zinc/80/72/20/1067807220.db2.gz KVLNQDCXZICMQD-UHFFFAOYSA-N 1 0 452.397 3.187 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001303278836 1067807722 /nfs/dbraw/zinc/80/77/22/1067807722.db2.gz RLBQUSRJTDDRFO-OAQYLSRUSA-N 1 0 468.646 3.306 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303279004 1067808301 /nfs/dbraw/zinc/80/83/01/1067808301.db2.gz YIBMPFOHCQIZQE-UHFFFAOYSA-N 1 0 476.597 3.394 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccc(Br)cc2C1 ZINC001303278952 1067808420 /nfs/dbraw/zinc/80/84/20/1067808420.db2.gz WKTKMPQDIMRKLQ-UHFFFAOYSA-N 1 0 475.435 3.066 20 0 JGADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001304737872 1067811776 /nfs/dbraw/zinc/81/17/76/1067811776.db2.gz SIOVCFGXGXORIP-HXUWFJFHSA-N 1 0 484.674 3.265 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001304739437 1067813186 /nfs/dbraw/zinc/81/31/86/1067813186.db2.gz DWHYUDQVLVKBEA-UEVCKROQSA-N 1 0 457.667 3.392 20 0 JGADRO CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303287065 1067813235 /nfs/dbraw/zinc/81/32/35/1067813235.db2.gz GNBXSTSYKDMYRU-VXKWHMMOSA-N 1 0 472.634 3.470 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001304739701 1067814210 /nfs/dbraw/zinc/81/42/10/1067814210.db2.gz JSNNZINODKMFTR-PTUXOGIPSA-N 1 0 484.693 3.097 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001303291362 1067815740 /nfs/dbraw/zinc/81/57/40/1067815740.db2.gz GYVKZHOWVXRMGF-UHFFFAOYSA-N 1 0 468.067 3.266 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)C(C)C ZINC001303291569 1067816208 /nfs/dbraw/zinc/81/62/08/1067816208.db2.gz KEDRNXMRAMQKCW-GOTSBHOMSA-N 1 0 456.635 3.157 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)C(C)C ZINC001303291822 1067816599 /nfs/dbraw/zinc/81/65/99/1067816599.db2.gz OTHSYOQFEOAGLH-NRFANRHFSA-N 1 0 481.707 3.229 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)C(C)C ZINC001303292056 1067817083 /nfs/dbraw/zinc/81/70/83/1067817083.db2.gz SOLZLKRZXKKMBL-UHFFFAOYSA-N 1 0 489.690 3.182 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccsc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C ZINC001303292275 1067817550 /nfs/dbraw/zinc/81/75/50/1067817550.db2.gz BTSNREDTLMSFRU-UXHICEINSA-N 1 0 460.648 3.374 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(F)c2)C1)C(C)C ZINC001303292373 1067817803 /nfs/dbraw/zinc/81/78/03/1067817803.db2.gz YHXTXTNOVUKOOY-VXKWHMMOSA-N 1 0 472.609 3.455 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)C1)C(C)C ZINC001303292518 1067817909 /nfs/dbraw/zinc/81/79/09/1067817909.db2.gz HTCKLPXMGUEAGU-UHFFFAOYSA-N 1 0 483.842 3.416 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(C(N)=O)C1)C(C)C ZINC001303292754 1067818219 /nfs/dbraw/zinc/81/82/19/1067818219.db2.gz OLTCFEMRKUBKSI-QHCPKHFHSA-N 1 0 464.561 3.367 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C ZINC001303292832 1067818756 /nfs/dbraw/zinc/81/87/56/1067818756.db2.gz QMDIBARXONUSCZ-JOCHJYFZSA-N 1 0 495.466 3.161 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2cnccn2)CC1 ZINC001303296594 1067819975 /nfs/dbraw/zinc/81/99/75/1067819975.db2.gz BSEKDKQXFCSHJA-UHFFFAOYSA-N 1 0 487.555 3.208 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C4CCCC4)n3CCOCC(F)F)CC2)CC1 ZINC001303297001 1067821073 /nfs/dbraw/zinc/82/10/73/1067821073.db2.gz FNACZFKOJDKIGW-UHFFFAOYSA-N 1 0 454.610 3.212 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3CCc3cccnc3)CC2)CC1 ZINC001303297008 1067821255 /nfs/dbraw/zinc/82/12/55/1067821255.db2.gz FRVNFRLKEUPJMJ-UHFFFAOYSA-N 1 0 453.679 3.499 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C ZINC001303297239 1067821266 /nfs/dbraw/zinc/82/12/66/1067821266.db2.gz PWBSVZQOWADTSP-DEOSSOPVSA-N 1 0 476.572 3.297 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N1CCC(N2CCCCC2=O)CC1)C(C)C ZINC001303297582 1067821494 /nfs/dbraw/zinc/82/14/94/1067821494.db2.gz RCXWBWGMNJYMHK-UHFFFAOYSA-N 1 0 467.662 3.364 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)C(C)C ZINC001303297616 1067821838 /nfs/dbraw/zinc/82/18/38/1067821838.db2.gz SABQMTYLBRAMKV-LJQANCHMSA-N 1 0 467.584 3.456 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCOC(C)(C)C)CC2)CC1 ZINC001303297742 1067821864 /nfs/dbraw/zinc/82/18/64/1067821864.db2.gz MFEZLBVEQVKLIY-QFIPXVFZSA-N 1 0 462.683 3.330 20 0 JGADRO CC(C)[NH+](CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001303298047 1067822060 /nfs/dbraw/zinc/82/20/60/1067822060.db2.gz GWNQRZVRQHNNCQ-GOSISDBHSA-N 1 0 458.632 3.169 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1)C(C)C ZINC001303298268 1067822969 /nfs/dbraw/zinc/82/29/69/1067822969.db2.gz KDGYPARIWZRFMQ-JOCHJYFZSA-N 1 0 460.667 3.477 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1)C(C)C ZINC001303298544 1067823622 /nfs/dbraw/zinc/82/36/22/1067823622.db2.gz LPZMTIODNDAIGV-DEOSSOPVSA-N 1 0 453.566 3.091 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001304744889 1067823719 /nfs/dbraw/zinc/82/37/19/1067823719.db2.gz CAMXKCYZGCNWQL-YADHBBJMSA-N 1 0 455.582 3.197 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001303299662 1067823957 /nfs/dbraw/zinc/82/39/57/1067823957.db2.gz WZHGELLFBWXGRE-UXHICEINSA-N 1 0 464.655 3.394 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001303301130 1067824790 /nfs/dbraw/zinc/82/47/90/1067824790.db2.gz AULCPMQFHKPAIV-UHFFFAOYSA-N 1 0 499.553 3.137 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCCCO3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001303301100 1067824993 /nfs/dbraw/zinc/82/49/93/1067824993.db2.gz ABAIFSKSYSWNES-KURKYZTESA-N 1 0 459.557 3.390 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCCOC3)nnc2N(C)CCOCc2ccccc2)CC1 ZINC001303301284 1067825224 /nfs/dbraw/zinc/82/52/24/1067825224.db2.gz GAHKETUUVCYVAC-HSZRJFAPSA-N 1 0 471.646 3.060 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001303301754 1067825936 /nfs/dbraw/zinc/82/59/36/1067825936.db2.gz OXZYLLKZFSGVTM-IBGZPJMESA-N 1 0 463.573 3.322 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001303301889 1067826445 /nfs/dbraw/zinc/82/64/45/1067826445.db2.gz UJUOUHSHPWCOGR-KRWDZBQOSA-N 1 0 451.974 3.198 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001303302127 1067826901 /nfs/dbraw/zinc/82/69/01/1067826901.db2.gz CFXNGCAXIDUVOG-WBVHZDCISA-N 1 0 451.413 3.381 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001304747654 1067827159 /nfs/dbraw/zinc/82/71/59/1067827159.db2.gz CSGQEORIUABGCZ-NRFANRHFSA-N 1 0 457.667 3.247 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001304747655 1067827244 /nfs/dbraw/zinc/82/72/44/1067827244.db2.gz CSGQEORIUABGCZ-OAQYLSRUSA-N 1 0 457.667 3.247 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc4cccnc43)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001303302503 1067827321 /nfs/dbraw/zinc/82/73/21/1067827321.db2.gz KEUWVWLKHVHWEM-HXUWFJFHSA-N 1 0 484.670 3.485 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CCc3ccccc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001303302487 1067827332 /nfs/dbraw/zinc/82/73/32/1067827332.db2.gz JWECQWAAJPMQMR-OAQYLSRUSA-N 1 0 455.647 3.302 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001303302350 1067827352 /nfs/dbraw/zinc/82/73/52/1067827352.db2.gz HZDFJAJCWRBFBU-HXUWFJFHSA-N 1 0 492.615 3.435 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001304748240 1067827414 /nfs/dbraw/zinc/82/74/14/1067827414.db2.gz IDDGIJVSBFXFMN-QFIPXVFZSA-N 1 0 498.720 3.487 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@H](C)C[NH+]2CCCC2)n1 ZINC001304748755 1067828172 /nfs/dbraw/zinc/82/81/72/1067828172.db2.gz KUBSURNJPCWCGG-HXOBKFHXSA-N 1 0 497.610 3.401 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001304748754 1067828198 /nfs/dbraw/zinc/82/81/98/1067828198.db2.gz KUBSURNJPCWCGG-GAJHUEQPSA-N 1 0 497.610 3.401 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001304748756 1067828221 /nfs/dbraw/zinc/82/82/21/1067828221.db2.gz KUBSURNJPCWCGG-SBUREZEXSA-N 1 0 497.610 3.401 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCC2)CC1 ZINC001303303045 1067828231 /nfs/dbraw/zinc/82/82/31/1067828231.db2.gz RLMUECBHCGFWPA-IBGZPJMESA-N 1 0 462.639 3.186 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303402 1067828676 /nfs/dbraw/zinc/82/86/76/1067828676.db2.gz GOGBRSDBMCCRBI-SFTDATJTSA-N 1 0 476.666 3.350 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001303303444 1067828710 /nfs/dbraw/zinc/82/87/10/1067828710.db2.gz WAFYLEQHIWQPSC-UHFFFAOYSA-N 1 0 493.027 3.065 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2F)C1 ZINC001303303163 1067828847 /nfs/dbraw/zinc/82/88/47/1067828847.db2.gz DCEJOPCBGXFKSH-QUCCMNQESA-N 1 0 458.582 3.004 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001303303229 1067828895 /nfs/dbraw/zinc/82/88/95/1067828895.db2.gz DRXWOAQKGHFAGB-VXKWHMMOSA-N 1 0 460.667 3.335 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001303303225 1067828915 /nfs/dbraw/zinc/82/89/15/1067828915.db2.gz DRXWOAQKGHFAGB-FCHUYYIVSA-N 1 0 460.667 3.335 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N(C)Cc3ccc([S@](C)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001303303453 1067829152 /nfs/dbraw/zinc/82/91/52/1067829152.db2.gz WATKEBCQOXXXHC-YTTGMZPUSA-N 1 0 461.676 3.185 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CCOc3ccccc3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001303303620 1067829265 /nfs/dbraw/zinc/82/92/65/1067829265.db2.gz YJLCPDNMPNZFHX-UHFFFAOYSA-N 1 0 463.573 3.370 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N3CC[C@@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001303303486 1067829292 /nfs/dbraw/zinc/82/92/92/1067829292.db2.gz WMMYSILAHQYFOT-VWLOTQADSA-N 1 0 459.610 3.048 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccccn3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001303303720 1067829303 /nfs/dbraw/zinc/82/93/03/1067829303.db2.gz ZLLGSTJBIDHZQP-UHFFFAOYSA-N 1 0 470.568 3.414 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001303303552 1067829312 /nfs/dbraw/zinc/82/93/12/1067829312.db2.gz XNCUATWNIMDLKO-LJQANCHMSA-N 1 0 469.634 3.440 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304749629 1067829691 /nfs/dbraw/zinc/82/96/91/1067829691.db2.gz GAHGTXQCVLRNAS-AABGKKOBSA-N 1 0 483.583 3.416 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303854 1067829812 /nfs/dbraw/zinc/82/98/12/1067829812.db2.gz JUMUAGVASGSELF-OALUTQOASA-N 1 0 491.624 3.469 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001303304517 1067831349 /nfs/dbraw/zinc/83/13/49/1067831349.db2.gz NLWZOOGALUWXHC-PMACEKPBSA-N 1 0 456.610 3.220 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001304751228 1067831610 /nfs/dbraw/zinc/83/16/10/1067831610.db2.gz JPWWHDGJCPINTG-JOCHJYFZSA-N 1 0 498.701 3.199 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cc2F)CC1 ZINC001303304371 1067831627 /nfs/dbraw/zinc/83/16/27/1067831627.db2.gz FZBHLCPFKXFANW-UHFFFAOYSA-N 1 0 455.513 3.172 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304751952 1067832214 /nfs/dbraw/zinc/83/22/14/1067832214.db2.gz OGWVFHAACYMFEE-QFIPXVFZSA-N 1 0 473.666 3.033 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001303305014 1067832840 /nfs/dbraw/zinc/83/28/40/1067832840.db2.gz QJOSEZLBLKAVJF-IRLDBZIGSA-N 1 0 460.667 3.035 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(O)(Cc4ccccc4F)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304753166 1067833925 /nfs/dbraw/zinc/83/39/25/1067833925.db2.gz FCSPQALUPWJQOH-UHFFFAOYSA-N 1 0 497.663 3.441 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304753144 1067833941 /nfs/dbraw/zinc/83/39/41/1067833941.db2.gz DOSJCVCUJWELBL-SZPZYZBQSA-N 1 0 487.693 3.423 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC001303305787 1067834523 /nfs/dbraw/zinc/83/45/23/1067834523.db2.gz WBJBKYRPEYBRRU-NLINSNCNSA-N 1 0 467.643 3.229 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(C)CC(F)(F)F)CC1 ZINC001303307392 1067834946 /nfs/dbraw/zinc/83/49/46/1067834946.db2.gz DKPXYSSWPFRRBO-UHFFFAOYSA-N 1 0 482.551 3.479 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2cccc(C(C)(C)O)c2)n1 ZINC001304754030 1067835516 /nfs/dbraw/zinc/83/55/16/1067835516.db2.gz JAXYPBWTYSEFQY-UHFFFAOYSA-N 1 0 465.646 3.382 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CCC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001303309579 1067836974 /nfs/dbraw/zinc/83/69/74/1067836974.db2.gz DXHQHVHKFHJXHM-UHFFFAOYSA-N 1 0 452.529 3.387 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(OCC[NH+]4CCCC4)CC3)n2CCOC(C)(C)C)n1 ZINC001304755013 1067837419 /nfs/dbraw/zinc/83/74/19/1067837419.db2.gz XEFUZEIWAGGHDN-UHFFFAOYSA-N 1 0 473.666 3.036 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCc2cnn(C)c2)CC1 ZINC001303310019 1067837599 /nfs/dbraw/zinc/83/75/99/1067837599.db2.gz DBEYIJAXMPDOMX-UHFFFAOYSA-N 1 0 459.545 3.443 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001303310368 1067838257 /nfs/dbraw/zinc/83/82/57/1067838257.db2.gz GIMOZZFABVSUDK-LJQANCHMSA-N 1 0 496.077 3.256 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001303310593 1067838657 /nfs/dbraw/zinc/83/86/57/1067838657.db2.gz OQHNUUNOKOTLLE-OAHLLOKOSA-N 1 0 458.554 3.421 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303310528 1067838757 /nfs/dbraw/zinc/83/87/57/1067838757.db2.gz NLPYCMXQHFIWPQ-LEWJYISDSA-N 1 0 476.666 3.350 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001303310503 1067838790 /nfs/dbraw/zinc/83/87/90/1067838790.db2.gz NCEUQQVZDNIYCA-NJDAHSKKSA-N 1 0 495.734 3.331 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001303310912 1067839291 /nfs/dbraw/zinc/83/92/91/1067839291.db2.gz MQLPSUMKNFUTBN-QFIPXVFZSA-N 1 0 466.051 3.299 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CCOC[C@@H]2C)CC1 ZINC001303310905 1067839436 /nfs/dbraw/zinc/83/94/36/1067839436.db2.gz MISMJVMJSGMNMC-KRWDZBQOSA-N 1 0 495.441 3.098 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001303310978 1067839948 /nfs/dbraw/zinc/83/99/48/1067839948.db2.gz PHBSCIUJYABZES-UHFFFAOYSA-N 1 0 463.026 3.207 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(F)F)CC1 ZINC001303311102 1067839967 /nfs/dbraw/zinc/83/99/67/1067839967.db2.gz WJAWLBXIMARATK-UHFFFAOYSA-N 1 0 478.592 3.002 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)O)CC1 ZINC001303311138 1067840009 /nfs/dbraw/zinc/84/00/09/1067840009.db2.gz WNBUCRSJLSTGLA-IBGZPJMESA-N 1 0 464.655 3.084 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccccc3F)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303311479 1067840362 /nfs/dbraw/zinc/84/03/62/1067840362.db2.gz ZLDNIDLPGVVMGE-UHFFFAOYSA-N 1 0 460.598 3.079 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CSCCS2)CC1 ZINC001303311178 1067840657 /nfs/dbraw/zinc/84/06/57/1067840657.db2.gz SRPKKQLLXDJDES-INIZCTEOSA-N 1 0 485.521 3.425 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001303311820 1067841162 /nfs/dbraw/zinc/84/11/62/1067841162.db2.gz NOCJETINFRWVPJ-OAQYLSRUSA-N 1 0 457.573 3.395 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303312108 1067841650 /nfs/dbraw/zinc/84/16/50/1067841650.db2.gz YZUZZALVAYPBSP-HNNXBMFYSA-N 1 0 481.464 3.214 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001303313271 1067842513 /nfs/dbraw/zinc/84/25/13/1067842513.db2.gz NYFHLWYCZXGQOL-HXUWFJFHSA-N 1 0 483.617 3.155 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(c4ncccc4F)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304758308 1067842832 /nfs/dbraw/zinc/84/28/32/1067842832.db2.gz BPZJKIIZJBFJJG-UHFFFAOYSA-N 1 0 483.640 3.119 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCCC(=O)N(C)C)CC1 ZINC001303316590 1067844000 /nfs/dbraw/zinc/84/40/00/1067844000.db2.gz FXNOXQRGJTVLJH-UHFFFAOYSA-N 1 0 493.450 3.018 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@H]2CCOC2)CC1 ZINC001303317430 1067846384 /nfs/dbraw/zinc/84/63/84/1067846384.db2.gz NJGUKBQLEBLJBY-LJQANCHMSA-N 1 0 463.573 3.121 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304760103 1067846399 /nfs/dbraw/zinc/84/63/99/1067846399.db2.gz OJXGRBMDJHBGMX-SFTDATJTSA-N 1 0 496.626 3.333 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3ccsc3)C2)CC1 ZINC001303317767 1067847682 /nfs/dbraw/zinc/84/76/82/1067847682.db2.gz CRCCYECCGBKRBJ-PXDATVDWSA-N 1 0 474.719 3.441 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccccn4)n3CCSC(F)(F)F)C2)CC1 ZINC001303317939 1067848035 /nfs/dbraw/zinc/84/80/35/1067848035.db2.gz FYZLHTDGVDTXRO-LJQANCHMSA-N 1 0 483.608 3.122 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001304761175 1067848086 /nfs/dbraw/zinc/84/80/86/1067848086.db2.gz UJRARXIJAAKEAQ-KRFYGZOHSA-N 1 0 457.667 3.247 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001304761520 1067848510 /nfs/dbraw/zinc/84/85/10/1067848510.db2.gz YDCWUUCINQLOPN-FQEVSTJZSA-N 1 0 496.626 3.335 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(CC4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303318221 1067849206 /nfs/dbraw/zinc/84/92/06/1067849206.db2.gz LJJUEOIJWVSHTI-UNMCSNQZSA-N 1 0 489.709 3.091 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3CCCC3CCOCC3)CC2)C1 ZINC001303318415 1067849674 /nfs/dbraw/zinc/84/96/74/1067849674.db2.gz RFNRZHBGQCCLGL-XMMPIXPASA-N 1 0 490.737 3.305 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318593 1067850273 /nfs/dbraw/zinc/85/02/73/1067850273.db2.gz VQIFNNVWZSKWRB-MSOLQXFVSA-N 1 0 476.613 3.377 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc([C@H]4CCCO4)n3CCCC(C)(C)C)CC2)C1 ZINC001303318654 1067850898 /nfs/dbraw/zinc/85/08/98/1067850898.db2.gz XJWMPCRHWVNKHI-FGZHOGPDSA-N 1 0 462.683 3.187 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001304763036 1067850870 /nfs/dbraw/zinc/85/08/70/1067850870.db2.gz NPGVQTJFRYBEJN-UNMCSNQZSA-N 1 0 451.619 3.446 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](Cc4ccccc4)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304764060 1067852494 /nfs/dbraw/zinc/85/24/94/1067852494.db2.gz QQXRYNYWARPATP-XMMPIXPASA-N 1 0 465.646 3.318 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001303325097 1067854037 /nfs/dbraw/zinc/85/40/37/1067854037.db2.gz QDNQPNCGFATMCK-IBGZPJMESA-N 1 0 480.613 3.212 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001303325177 1067854447 /nfs/dbraw/zinc/85/44/47/1067854447.db2.gz VGJQEAREDNEXSQ-NQIIRXRSSA-N 1 0 460.598 3.110 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001303325179 1067854481 /nfs/dbraw/zinc/85/44/81/1067854481.db2.gz VGJQEAREDNEXSQ-WIYYLYMNSA-N 1 0 460.598 3.110 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C)[C@@H]3C)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001304764972 1067854523 /nfs/dbraw/zinc/85/45/23/1067854523.db2.gz WTGNASGIPPRMFQ-SFTDATJTSA-N 1 0 483.686 3.459 20 0 JGADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4cccn4C)n3C[C@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001304765671 1067855842 /nfs/dbraw/zinc/85/58/42/1067855842.db2.gz CCXQJAIOBWTUKC-YADHBBJMSA-N 1 0 467.666 3.385 20 0 JGADRO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4ccccc4Cl)n3CCOCC[NH+](C)C)C2)n1 ZINC001304766086 1067856554 /nfs/dbraw/zinc/85/65/54/1067856554.db2.gz LSLHNPMRKFPHRV-FQEVSTJZSA-N 1 0 487.052 3.302 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)C2CCCCC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001303329128 1067856980 /nfs/dbraw/zinc/85/69/80/1067856980.db2.gz WOQRBGDPWJRHNI-UHFFFAOYSA-N 1 0 460.667 3.468 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCC[NH+](C(C)C)C(C)C ZINC001303329120 1067857007 /nfs/dbraw/zinc/85/70/07/1067857007.db2.gz WIABUDOMHDDGPB-FQEVSTJZSA-N 1 0 458.655 3.173 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC1CC[NH+](C2CC2)CC1 ZINC001303331951 1067861673 /nfs/dbraw/zinc/86/16/73/1067861673.db2.gz UADCTHXFPNIGFW-UHFFFAOYSA-N 1 0 464.536 3.344 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303335254 1067864807 /nfs/dbraw/zinc/86/48/07/1067864807.db2.gz LEUWDLHSZCBACU-UHFFFAOYSA-N 1 0 484.571 3.070 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001303335763 1067865334 /nfs/dbraw/zinc/86/53/34/1067865334.db2.gz WCUZEKHQYVLSAU-JOCHJYFZSA-N 1 0 478.645 3.089 20 0 JGADRO Cc1nc2n(n1)CCN(c1nnc(-c3cccc(OC(F)F)c3)n1C[C@@H](CC(C)C)[NH+](C)C)C2 ZINC001304774608 1067867916 /nfs/dbraw/zinc/86/79/16/1067867916.db2.gz KKKLABODUKPBQR-GOSISDBHSA-N 1 0 474.560 3.443 20 0 JGADRO 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CC(C)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCCCN(C)c1ccccc1 ZINC001303409341 1067936059 /nfs/dbraw/zinc/93/60/59/1067936059.db2.gz OPUOLEBDEHZGRL-QFIPXVFZSA-N 1 0 453.635 3.007 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3cccs3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001303410319 1067936523 /nfs/dbraw/zinc/93/65/23/1067936523.db2.gz SUGLAMZSVUNIFA-OAQYLSRUSA-N 1 0 487.718 3.455 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@]1(C)CCO[C@@H]1C1CC1 ZINC001303410537 1067936975 /nfs/dbraw/zinc/93/69/75/1067936975.db2.gz UMFJUQFRZYLNLJ-NLFFAJNJSA-N 1 0 460.667 3.180 20 0 JGADRO Cc1cc(CN2CCN(c3nnc(C(C)C)n3C[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)on1 ZINC001304899287 1067943188 /nfs/dbraw/zinc/94/31/88/1067943188.db2.gz BWZVKNDBEBVNLC-QFIPXVFZSA-N 1 0 455.582 3.462 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CC1([NH+](C)C)CCC1 ZINC001303416039 1067943671 /nfs/dbraw/zinc/94/36/71/1067943671.db2.gz ZQFKUKMEQCUAPQ-IBGZPJMESA-N 1 0 492.571 3.080 20 0 JGADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1CC[NH+]1CCCCCC1 ZINC001304902787 1067947037 /nfs/dbraw/zinc/94/70/37/1067947037.db2.gz JQUJTGWALVPQTD-KRWDZBQOSA-N 1 0 475.435 3.251 20 0 JGADRO CC(C)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001303421476 1067947270 /nfs/dbraw/zinc/94/72/70/1067947270.db2.gz UEPXJANLUTXJCF-NLFFAJNJSA-N 1 0 454.619 3.174 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(C3CCCC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304911111 1067954491 /nfs/dbraw/zinc/95/44/91/1067954491.db2.gz KNDLHLXBXFSVOV-NSHGMRRFSA-N 1 0 451.681 3.316 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(C3CCCC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304911116 1067954547 /nfs/dbraw/zinc/95/45/47/1067954547.db2.gz KNDLHLXBXFSVOV-QWFCFKBJSA-N 1 0 451.681 3.316 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912063 1067955593 /nfs/dbraw/zinc/95/55/93/1067955593.db2.gz ONMUUVDMWYCPOE-VWPQPMDRSA-N 1 0 474.694 3.426 20 0 JGADRO C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304912362 1067956080 /nfs/dbraw/zinc/95/60/80/1067956080.db2.gz OQPLERRFLHVNGF-NJYVYQBISA-N 1 0 487.737 3.121 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001304912494 1067956456 /nfs/dbraw/zinc/95/64/56/1067956456.db2.gz QAGIMMWLJRCUOJ-LWYYNNOASA-N 1 0 469.634 3.296 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(N3CCN(c4cnn(C)c4)CC3)nnc2C(C)(C)C)C1 ZINC001304912945 1067957214 /nfs/dbraw/zinc/95/72/14/1067957214.db2.gz ROIJRRLBOWHLIR-WOJBJXKFSA-N 1 0 456.683 3.392 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(N3CCN(c4cnn(C)c4)CC3)nnc2C(C)(C)C)C1 ZINC001304912943 1067957330 /nfs/dbraw/zinc/95/73/30/1067957330.db2.gz ROIJRRLBOWHLIR-PMACEKPBSA-N 1 0 456.683 3.392 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001303435461 1067958473 /nfs/dbraw/zinc/95/84/73/1067958473.db2.gz RZKUMENQEDNVPQ-ZWKOTPCHSA-N 1 0 458.582 3.002 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)CCOC1 ZINC001304915231 1067959440 /nfs/dbraw/zinc/95/94/40/1067959440.db2.gz BYAOOYOOFMMFRZ-OTPAQWSUSA-N 1 0 463.667 3.036 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1CC[NH+](C2CC2)CC1 ZINC001303436240 1067959951 /nfs/dbraw/zinc/95/99/51/1067959951.db2.gz SGCQTHZZQZZAJT-UHFFFAOYSA-N 1 0 476.572 3.382 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cccn2C)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001303436589 1067960640 /nfs/dbraw/zinc/96/06/40/1067960640.db2.gz HPGKYUDTVULZNM-HXUWFJFHSA-N 1 0 458.010 3.201 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001303440962 1067963233 /nfs/dbraw/zinc/96/32/33/1067963233.db2.gz MCQJGIJIPYQUDM-NZQKXSOJSA-N 1 0 484.645 3.406 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304922513 1067963707 /nfs/dbraw/zinc/96/37/07/1067963707.db2.gz ASVAJQFDWKICDZ-MHTWAQMVSA-N 1 0 492.690 3.233 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303441696 1067964091 /nfs/dbraw/zinc/96/40/91/1067964091.db2.gz WOJAGLFXZNVAKJ-SIKLNZKXSA-N 1 0 470.618 3.016 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001304923152 1067964387 /nfs/dbraw/zinc/96/43/87/1067964387.db2.gz ATDPQTXNHWNOSC-QQXKLLMISA-N 1 0 452.594 3.325 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001303443070 1067965124 /nfs/dbraw/zinc/96/51/24/1067965124.db2.gz FWSOBJVNDCKRQW-WOJBJXKFSA-N 1 0 495.672 3.199 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303443486 1067965393 /nfs/dbraw/zinc/96/53/93/1067965393.db2.gz RZJGAKIGQBMPGF-UHFFFAOYSA-N 1 0 460.598 3.079 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304923457 1067965487 /nfs/dbraw/zinc/96/54/87/1067965487.db2.gz FYYBGQVIXHFJDW-ROUUACIJSA-N 1 0 488.599 3.068 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304923953 1067965872 /nfs/dbraw/zinc/96/58/72/1067965872.db2.gz HKVPCHFNBJVSTA-NCYKPQTJSA-N 1 0 469.634 3.297 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001304923862 1067965879 /nfs/dbraw/zinc/96/58/79/1067965879.db2.gz GJVXDKVZJYMLEI-IRXDYDNUSA-N 1 0 479.551 3.451 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304923804 1067965892 /nfs/dbraw/zinc/96/58/92/1067965892.db2.gz FYQQIQMNFSLUFE-FGZHOGPDSA-N 1 0 492.672 3.460 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)C1 ZINC001304923770 1067965913 /nfs/dbraw/zinc/96/59/13/1067965913.db2.gz FPPRSKJSGZXHPE-HDICACEKSA-N 1 0 481.613 3.483 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001304924347 1067966987 /nfs/dbraw/zinc/96/69/87/1067966987.db2.gz IMICPAAKJNISEL-IAGOWNOFSA-N 1 0 493.582 3.435 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924309 1067967025 /nfs/dbraw/zinc/96/70/25/1067967025.db2.gz IJGOZKHAPXYLDQ-LILSUDLASA-N 1 0 480.723 3.273 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001304925797 1067969415 /nfs/dbraw/zinc/96/94/15/1067969415.db2.gz OUEFQSSCSJVVTI-SFTDATJTSA-N 1 0 455.651 3.336 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304925889 1067969536 /nfs/dbraw/zinc/96/95/36/1067969536.db2.gz PGRNQMUHKXCDGJ-SFTDATJTSA-N 1 0 460.667 3.324 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304926370 1067969793 /nfs/dbraw/zinc/96/97/93/1067969793.db2.gz RIEUMAINDXLXOV-IAGOWNOFSA-N 1 0 494.482 3.365 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926366 1067969866 /nfs/dbraw/zinc/96/98/66/1067969866.db2.gz RIEUMAINDXLXOV-CALCHBBNSA-N 1 0 494.482 3.365 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001304926525 1067970327 /nfs/dbraw/zinc/97/03/27/1067970327.db2.gz RUOUUJOJRWTJLW-NTDBWNAOSA-N 1 0 469.556 3.203 20 0 JGADRO CC(C)OC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304926524 1067970641 /nfs/dbraw/zinc/97/06/41/1067970641.db2.gz POYJFYQVRXRNOY-KCZVDYSFSA-N 1 0 460.667 3.381 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001304926789 1067971130 /nfs/dbraw/zinc/97/11/30/1067971130.db2.gz HLVNVXJSKPMRCK-ZDXQCDESSA-N 1 0 470.662 3.262 20 0 JGADRO CC(C)OC[C@H]1CN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001304926787 1067971200 /nfs/dbraw/zinc/97/12/00/1067971200.db2.gz HLVNVXJSKPMRCK-AOHZBQACSA-N 1 0 470.662 3.262 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccsc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001304927282 1067972940 /nfs/dbraw/zinc/97/29/40/1067972940.db2.gz TZPCFLJMJFZDDC-AQNXPRMDSA-N 1 0 458.676 3.355 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCNC(=O)C2)C1 ZINC001304927435 1067973395 /nfs/dbraw/zinc/97/33/95/1067973395.db2.gz JNBZULGPXOFCGI-CALCHBBNSA-N 1 0 495.455 3.468 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)C1 ZINC001304927556 1067973909 /nfs/dbraw/zinc/97/39/09/1067973909.db2.gz VVMQOBNUZVDBTG-HBMCJLEFSA-N 1 0 459.683 3.181 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(C3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001304927837 1067974359 /nfs/dbraw/zinc/97/43/59/1067974359.db2.gz WZCXUKAXZZODOC-NHCUHLMSSA-N 1 0 494.750 3.459 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(C3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001304927842 1067974733 /nfs/dbraw/zinc/97/47/33/1067974733.db2.gz WZCXUKAXZZODOC-SFTDATJTSA-N 1 0 494.750 3.459 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304927950 1067974785 /nfs/dbraw/zinc/97/47/85/1067974785.db2.gz YWQBCRQYVJFDCW-HDICACEKSA-N 1 0 468.067 3.447 20 0 JGADRO CC(C)NC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001303454908 1067975149 /nfs/dbraw/zinc/97/51/49/1067975149.db2.gz UJJYQVJOUWZZED-UHFFFAOYSA-N 1 0 475.037 3.490 20 0 JGADRO CC(C)[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928174 1067975746 /nfs/dbraw/zinc/97/57/46/1067975746.db2.gz UDRFQZCPAPNVTJ-MHTWAQMVSA-N 1 0 468.712 3.129 20 0 JGADRO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304928398 1067976147 /nfs/dbraw/zinc/97/61/47/1067976147.db2.gz NOKNOPWBTKHNHA-SJBKTWHCSA-N 1 0 465.708 3.421 20 0 JGADRO CC(C)[C@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928479 1067976202 /nfs/dbraw/zinc/97/62/02/1067976202.db2.gz OARMKMBQERHZIH-JSXRDJHFSA-N 1 0 451.681 3.173 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001304929327 1067977523 /nfs/dbraw/zinc/97/75/23/1067977523.db2.gz VDHLNMGGBRFITH-GAKIBJFNSA-N 1 0 474.600 3.217 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304929673 1067978395 /nfs/dbraw/zinc/97/83/95/1067978395.db2.gz XYHKCJYJMRPRMJ-XPWALMASSA-N 1 0 476.710 3.435 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCC(=O)NC2CC2)CC1 ZINC001303462542 1067981777 /nfs/dbraw/zinc/98/17/77/1067981777.db2.gz FTMQRVBCJVSCHF-UHFFFAOYSA-N 1 0 492.466 3.072 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CSCCS2)CC1 ZINC001303462652 1067981838 /nfs/dbraw/zinc/98/18/38/1067981838.db2.gz HRMRSHKFADAGKR-DENIHFKCSA-N 1 0 469.721 3.134 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CSCCS2)CC1 ZINC001303462666 1067981890 /nfs/dbraw/zinc/98/18/90/1067981890.db2.gz HRMRSHKFADAGKR-KNQAVFIVSA-N 1 0 469.721 3.134 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001303463528 1067982616 /nfs/dbraw/zinc/98/26/16/1067982616.db2.gz UXBNJKCNNSQPIZ-QUCCMNQESA-N 1 0 493.649 3.491 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001303464882 1067983914 /nfs/dbraw/zinc/98/39/14/1067983914.db2.gz AWPFNIXZFUSMSY-IBGZPJMESA-N 1 0 471.650 3.486 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@@H]2C)CC1 ZINC001303465390 1067984389 /nfs/dbraw/zinc/98/43/89/1067984389.db2.gz UPAFJXAPEALXHA-SFHVURJKSA-N 1 0 491.478 3.395 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001303465214 1067984430 /nfs/dbraw/zinc/98/44/30/1067984430.db2.gz MYIRAMDPJLAERQ-RXVVDRJESA-N 1 0 484.649 3.347 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3noc4c3COCC4)n2CCSCC(F)(F)F)CC1 ZINC001303465711 1067984803 /nfs/dbraw/zinc/98/48/03/1067984803.db2.gz RNJACXGPVAPJNV-UHFFFAOYSA-N 1 0 474.553 3.268 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001303466624 1067985633 /nfs/dbraw/zinc/98/56/33/1067985633.db2.gz SSJMNQLKFXGSHI-JOCHJYFZSA-N 1 0 473.687 3.245 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccncc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001303466553 1067985679 /nfs/dbraw/zinc/98/56/79/1067985679.db2.gz RONRKSJOQQYCHD-UHFFFAOYSA-N 1 0 457.623 3.098 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001303466568 1067985711 /nfs/dbraw/zinc/98/57/11/1067985711.db2.gz RSJYDVOPXPXZNP-LJQANCHMSA-N 1 0 456.626 3.190 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001303467606 1067986570 /nfs/dbraw/zinc/98/65/70/1067986570.db2.gz BZPPVJRGJHEIJM-GAJHUEQPSA-N 1 0 464.010 3.017 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCCCC2=O)CC1 ZINC001303467803 1067987070 /nfs/dbraw/zinc/98/70/70/1067987070.db2.gz IYSAURHUXOHJPT-UHFFFAOYSA-N 1 0 472.609 3.366 20 0 JGADRO C[C@@H]1C[C@H](CCn2c(C3CC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC001304938049 1067987113 /nfs/dbraw/zinc/98/71/13/1067987113.db2.gz LMJFCAFMCQQBFD-QZTJIDSGSA-N 1 0 459.557 3.452 20 0 JGADRO C[C@@H]1C[C@H](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC001304938997 1067988233 /nfs/dbraw/zinc/98/82/33/1067988233.db2.gz PMBIZSPXQJBPLQ-YZGWKJHDSA-N 1 0 499.603 3.479 20 0 JGADRO C[C@@H]1C[C@@H](Cn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)CC(F)(F)F)CCO1 ZINC001304941703 1067992324 /nfs/dbraw/zinc/99/23/24/1067992324.db2.gz LGVWUYODHBJPNE-UXHICEINSA-N 1 0 480.579 3.456 20 0 JGADRO C[C@@H]1C[C@H](N(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304947059 1067998611 /nfs/dbraw/zinc/99/86/11/1067998611.db2.gz FJMFWNDAHZHOJJ-IFMALSPDSA-N 1 0 490.718 3.247 20 0 JGADRO C[C@@H]1C[C@H](N(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001304947833 1067999103 /nfs/dbraw/zinc/99/91/03/1067999103.db2.gz HHYHTMHYNMBXSA-MISYRCLQSA-N 1 0 494.562 3.297 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)CC(F)(F)F)n2Cc2cccc(C[NH+](C)C)c2)CCOC1 ZINC001303480591 1068000163 /nfs/dbraw/zinc/00/01/63/1068000163.db2.gz CKIZJXWXUVCONJ-NRFANRHFSA-N 1 0 455.525 3.427 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(C(N)=O)c3)n2CC(C)(C)[NH+]2CCCCC2)CCOC1 ZINC001303481459 1068002675 /nfs/dbraw/zinc/00/26/75/1068002675.db2.gz LBXNMYSXGMNVMJ-HHHXNRCGSA-N 1 0 498.672 3.319 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001304957270 1068002989 /nfs/dbraw/zinc/00/29/89/1068002989.db2.gz DIXVSTISKULZCQ-AABGKKOBSA-N 1 0 488.702 3.350 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001304957540 1068003316 /nfs/dbraw/zinc/00/33/16/1068003316.db2.gz FDQCBVHMVJBTNN-LXZJYRNTSA-N 1 0 454.685 3.024 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCC[N@H+](C)C1CCCCC1 ZINC001304957304 1068003446 /nfs/dbraw/zinc/00/34/46/1068003446.db2.gz DKZKBSDJTMBKHI-QYZOEREBSA-N 1 0 454.685 3.168 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001304966423 1068007978 /nfs/dbraw/zinc/00/79/78/1068007978.db2.gz NKBWKKHZQSQXSU-URVUXULASA-N 1 0 480.723 3.417 20 0 JGADRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 ZINC001303486599 1068008974 /nfs/dbraw/zinc/00/89/74/1068008974.db2.gz NULLCBVEOSOKEM-VWLOTQADSA-N 1 0 450.627 3.034 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001304969684 1068010269 /nfs/dbraw/zinc/01/02/69/1068010269.db2.gz LYAKIHMJQHWYHN-WBTXTPOCSA-N 1 0 462.664 3.013 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001304969675 1068010392 /nfs/dbraw/zinc/01/03/92/1068010392.db2.gz LYAKIHMJQHWYHN-IDYZSHNDSA-N 1 0 462.664 3.013 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001304971424 1068011948 /nfs/dbraw/zinc/01/19/48/1068011948.db2.gz XLCPPOWRXAPQLT-FUFFSDJGSA-N 1 0 454.685 3.025 20 0 JGADRO C[C@H]1CC[C@H](Cn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001304972082 1068012304 /nfs/dbraw/zinc/01/23/04/1068012304.db2.gz JLSFVPDPJUMMSA-GOTSBHOMSA-N 1 0 495.716 3.430 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303489262 1068012940 /nfs/dbraw/zinc/01/29/40/1068012940.db2.gz JQRXTCJDKSRSCG-SGIRGMQISA-N 1 0 463.667 3.302 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CC=CCC3)n2Cc2cccc(OCC[NH+](C)C)c2)CCOC1 ZINC001303489486 1068013723 /nfs/dbraw/zinc/01/37/23/1068013723.db2.gz LQXKZCJJFUDEFL-VWLOTQADSA-N 1 0 455.603 3.074 20 0 JGADRO CC1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304973966 1068013855 /nfs/dbraw/zinc/01/38/55/1068013855.db2.gz DDKJRZYLASVINV-QZNJRLLKSA-N 1 0 460.667 3.477 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[N@H+](C)C2CCCC2)CCOC1 ZINC001303489570 1068013989 /nfs/dbraw/zinc/01/39/89/1068013989.db2.gz LDPXIEXUSMZWMK-SFGWALBWSA-N 1 0 489.583 3.349 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C)OC(C)(C)C3)n2Cc2cccc(C[NH+](C)C)c2)CCOC1 ZINC001303490191 1068014907 /nfs/dbraw/zinc/01/49/07/1068014907.db2.gz OTYCGJOVPWHMQH-RXFWQSSRSA-N 1 0 471.646 3.432 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC(C(C)C)CC3)n2CCC[NH+]2CCC(O)CC2)CCOC1 ZINC001303490683 1068015622 /nfs/dbraw/zinc/01/56/22/1068015622.db2.gz VUANDTLBUBLZNX-VWLOTQADSA-N 1 0 463.667 3.038 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)CCOC1 ZINC001303490739 1068015826 /nfs/dbraw/zinc/01/58/26/1068015826.db2.gz QEQKMJUXFATPON-PQNGQFLHSA-N 1 0 451.656 3.441 20 0 JGADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3ccccc3)n2CCN(C)CC(F)(F)F)CC1 ZINC001304977154 1068015856 /nfs/dbraw/zinc/01/58/56/1068015856.db2.gz QMVGORJABZVFCM-SFTDATJTSA-N 1 0 493.622 3.434 20 0 JGADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(C3CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001304978221 1068016643 /nfs/dbraw/zinc/01/66/43/1068016643.db2.gz VVBDBIUPJPIJSX-OYRHEFFESA-N 1 0 489.709 3.407 20 0 JGADRO CC(C)[NH+](CCn1c(C2CC2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1)C(C)C ZINC001304980434 1068019483 /nfs/dbraw/zinc/01/94/83/1068019483.db2.gz MDFLNLMVKMHJLT-UHFFFAOYSA-N 1 0 473.710 3.091 20 0 JGADRO CC1CCC([NH+]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCC(=O)N(C)C)CC2)CC1 ZINC001304980609 1068019683 /nfs/dbraw/zinc/01/96/83/1068019683.db2.gz ONQGJWXYLFEVSP-UHFFFAOYSA-N 1 0 492.466 3.215 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCOC(C)(C)[C@H]2C)([NH+](C)C)C1 ZINC001304981772 1068022007 /nfs/dbraw/zinc/02/20/07/1068022007.db2.gz AVEDKBHPWLXHEZ-RRQZXNHTSA-N 1 0 469.634 3.440 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCOC(C)(C)[C@@H]2C)([NH+](C)C)C1 ZINC001304981773 1068022109 /nfs/dbraw/zinc/02/21/09/1068022109.db2.gz AVEDKBHPWLXHEZ-WYEJZRMESA-N 1 0 469.634 3.440 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981791 1068022478 /nfs/dbraw/zinc/02/24/78/1068022478.db2.gz BGSIOAPMSVJRIS-WWNBULGVSA-N 1 0 494.628 3.178 20 0 JGADRO CC(C)[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981957 1068022677 /nfs/dbraw/zinc/02/26/77/1068022677.db2.gz CGEOXGLIDSKAGJ-IWQHBPENSA-N 1 0 454.685 3.024 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCCOC(F)F)CCOC1 ZINC001303496338 1068022629 /nfs/dbraw/zinc/02/26/29/1068022629.db2.gz IDRAZLHOKKUZOU-GCJKJVERSA-N 1 0 457.566 3.013 20 0 JGADRO CC(C)[C@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981959 1068022828 /nfs/dbraw/zinc/02/28/28/1068022828.db2.gz CGEOXGLIDSKAGJ-YXTQBTIXSA-N 1 0 454.685 3.024 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC(CO)CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303496554 1068023122 /nfs/dbraw/zinc/02/31/22/1068023122.db2.gz XFEYGEBZMJLAHX-LVXARBLLSA-N 1 0 471.646 3.048 20 0 JGADRO C[C@@H]1CCc2sc(-c3nnc(N4CCC(OCC(N)=O)CC4)n3CC(C)(C)C[NH+](C)C)cc2C1 ZINC001304982713 1068023951 /nfs/dbraw/zinc/02/39/51/1068023951.db2.gz GBWQEBKFHZWIDO-QGZVFWFLSA-N 1 0 488.702 3.190 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001304982789 1068024470 /nfs/dbraw/zinc/02/44/70/1068024470.db2.gz CCVLRRSFNDRUTP-KJWPAHLWSA-N 1 0 494.750 3.287 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[C@]4(CCSC4)C3)n2CCC[N@H+](C)C(C)C)CCOC1 ZINC001303497471 1068025311 /nfs/dbraw/zinc/02/53/11/1068025311.db2.gz VCCKCRAOJDOTIO-XZOQPEGZSA-N 1 0 451.681 3.382 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(CC3CC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001304983480 1068025451 /nfs/dbraw/zinc/02/54/51/1068025451.db2.gz DYAKSHXKQYPXOT-QMHWCDLVSA-N 1 0 451.681 3.145 20 0 JGADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001304984224 1068026445 /nfs/dbraw/zinc/02/64/45/1068026445.db2.gz HITQUXHMMIEVFC-HSGJQSDISA-N 1 0 460.667 3.034 20 0 JGADRO C[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCS(C)(=O)=O)C[NH+]1CCCC1 ZINC001304984338 1068026806 /nfs/dbraw/zinc/02/68/06/1068026806.db2.gz PKANNLXRXPHMLY-MSOLQXFVSA-N 1 0 479.716 3.344 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(-c3cc4ccccc4o3)nnc2N(C)CCNS(C)(=O)=O)([NH+](C)C)C1 ZINC001304986198 1068029196 /nfs/dbraw/zinc/02/91/96/1068029196.db2.gz XWFMNPPGGBNAHL-KOSHJBKYSA-N 1 0 488.658 3.187 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CSCCS2)CCOC1 ZINC001303501450 1068029653 /nfs/dbraw/zinc/02/96/53/1068029653.db2.gz GQJGMJBXKKJUCH-GCJKJVERSA-N 1 0 469.721 3.088 20 0 JGADRO C[C@H]1CCC[C@@](Cn2c(Cc3ccccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)([NH+](C)C)C1 ZINC001304986766 1068029859 /nfs/dbraw/zinc/02/98/59/1068029859.db2.gz MEVAVZDDAKCSNG-KDYSTLNUSA-N 1 0 481.689 3.469 20 0 JGADRO C[C@H]1CCC[C@](Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(N)=O)CC2)([NH+](C)C)C1 ZINC001304986812 1068030064 /nfs/dbraw/zinc/03/00/64/1068030064.db2.gz MRFMXZMBRBAXOZ-GKVSMKOHSA-N 1 0 474.600 3.359 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC[C@H]3c3cnn(C)c3)n2CCC[N@H+](C)C(C)C)CCOC1 ZINC001303501847 1068030618 /nfs/dbraw/zinc/03/06/18/1068030618.db2.gz PLINZKSACYYPLO-XUZZJYLKSA-N 1 0 459.639 3.124 20 0 JGADRO 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C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305067091 1068139718 /nfs/dbraw/zinc/13/97/18/1068139718.db2.gz PRUSFXCRFISUFQ-UXHICEINSA-N 1 0 472.600 3.367 20 0 JGADRO C[C@H](c1cccc(O)c1)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[NH+]1CCSCC1 ZINC001303605932 1068140031 /nfs/dbraw/zinc/14/00/31/1068140031.db2.gz HWVQVUNBXSLLMA-QGZVFWFLSA-N 1 0 486.667 3.221 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305067448 1068140225 /nfs/dbraw/zinc/14/02/25/1068140225.db2.gz RTDRALBXEWCDTF-MSOLQXFVSA-N 1 0 459.557 3.186 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305067828 1068141245 /nfs/dbraw/zinc/14/12/45/1068141245.db2.gz TYVSFRJYFMHXOQ-RBUKOAKNSA-N 1 0 458.573 3.324 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001305068160 1068141679 /nfs/dbraw/zinc/14/16/79/1068141679.db2.gz WWAAKXHMRQTCKQ-NJDAHSKKSA-N 1 0 460.667 3.381 20 0 JGADRO CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001305069239 1068143358 /nfs/dbraw/zinc/14/33/58/1068143358.db2.gz VKSFWCLEJIRZLH-UHFFFAOYSA-N 1 0 475.037 3.209 20 0 JGADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCCC1 ZINC001303607227 1068143433 /nfs/dbraw/zinc/14/34/33/1068143433.db2.gz YXOICTBRXSDPJJ-JTHBVZDNSA-N 1 0 468.646 3.314 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001305070988 1068144505 /nfs/dbraw/zinc/14/45/05/1068144505.db2.gz QYJZRAOIBSYHMK-MSOLQXFVSA-N 1 0 466.677 3.023 20 0 JGADRO CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001303614535 1068148725 /nfs/dbraw/zinc/14/87/25/1068148725.db2.gz PSZHARBSXIZXAH-IAGOWNOFSA-N 1 0 453.484 3.413 20 0 JGADRO C[C@@H](CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)C1)[NH+]1CCCCC1 ZINC001305080749 1068153726 /nfs/dbraw/zinc/15/37/26/1068153726.db2.gz PLHJHPDVZMMWKT-UXHICEINSA-N 1 0 474.675 3.306 20 0 JGADRO C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303622131 1068153856 /nfs/dbraw/zinc/15/38/56/1068153856.db2.gz QKPUQBDAXQETNU-HOJAQTOUSA-N 1 0 463.648 3.481 20 0 JGADRO CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001305086613 1068156611 /nfs/dbraw/zinc/15/66/11/1068156611.db2.gz IWXZITZEGYZBQU-VXKWHMMOSA-N 1 0 490.693 3.476 20 0 JGADRO C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001305101283 1068167790 /nfs/dbraw/zinc/16/77/90/1068167790.db2.gz KXZKKTVADWUIMF-MOPGFXCFSA-N 1 0 462.639 3.307 20 0 JGADRO CC1CC[NH+](CCCCn2c(-c3cccn3C)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001305101724 1068167855 /nfs/dbraw/zinc/16/78/55/1068167855.db2.gz HMKSOEUIQHWHCA-UHFFFAOYSA-N 1 0 455.651 3.278 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103140 1068169541 /nfs/dbraw/zinc/16/95/41/1068169541.db2.gz CMVPYQIRFGXLEI-PMACEKPBSA-N 1 0 472.609 3.346 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CCOC1 ZINC001305103006 1068169578 /nfs/dbraw/zinc/16/95/78/1068169578.db2.gz BRPJUEBDZAXAIM-RCZVLFRGSA-N 1 0 463.667 3.446 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001305103226 1068170047 /nfs/dbraw/zinc/17/00/47/1068170047.db2.gz GDQTZCLQCQAVIP-HSZRJFAPSA-N 1 0 467.662 3.127 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103320 1068170447 /nfs/dbraw/zinc/17/04/47/1068170447.db2.gz FHXXRPPWRNSJIV-KNQAVFIVSA-N 1 0 492.665 3.491 20 0 JGADRO CC1CC[NH+](CCCCn2c(N3CC[C@]4(CCS(=O)(=O)C4)C3)nnc2C(C)(C)C)CC1 ZINC001305103551 1068170974 /nfs/dbraw/zinc/17/09/74/1068170974.db2.gz JGDUHMRVIVBCKE-QHCPKHFHSA-N 1 0 451.681 3.103 20 0 JGADRO CC1CC[NH+](CCCCn2c(N3CC[C@@]4(CCS(=O)(=O)C4)C3)nnc2C(C)(C)C)CC1 ZINC001305103550 1068171030 /nfs/dbraw/zinc/17/10/30/1068171030.db2.gz JGDUHMRVIVBCKE-HSZRJFAPSA-N 1 0 451.681 3.103 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001305103980 1068171409 /nfs/dbraw/zinc/17/14/09/1068171409.db2.gz PTCLEFDYBADCPM-UHFFFAOYSA-N 1 0 481.689 3.471 20 0 JGADRO CC1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305104040 1068171537 /nfs/dbraw/zinc/17/15/37/1068171537.db2.gz QNVHLNDJNUAPJJ-QFIPXVFZSA-N 1 0 483.661 3.489 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103968 1068171548 /nfs/dbraw/zinc/17/15/48/1068171548.db2.gz POIFATTYBPOGBI-UHFFFAOYSA-N 1 0 460.573 3.379 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001305104197 1068172004 /nfs/dbraw/zinc/17/20/04/1068172004.db2.gz BIPZBANIWQJPQU-UHFFFAOYSA-N 1 0 472.615 3.095 20 0 JGADRO CC1CC[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001305104761 1068172518 /nfs/dbraw/zinc/17/25/18/1068172518.db2.gz XEBUCZDPEHNFBR-QHCPKHFHSA-N 1 0 473.687 3.371 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305104636 1068172554 /nfs/dbraw/zinc/17/25/54/1068172554.db2.gz ZIXDCQDEGICQNX-XUZZJYLKSA-N 1 0 478.707 3.337 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC1CCCC1 ZINC001305106652 1068174706 /nfs/dbraw/zinc/17/47/06/1068174706.db2.gz HFLFRDSCPZUZIR-CTNGQTDRSA-N 1 0 466.696 3.027 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001305106803 1068175194 /nfs/dbraw/zinc/17/51/94/1068175194.db2.gz WDFLOKBEZDZVPI-UHFFFAOYSA-N 1 0 476.572 3.370 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc(Br)c2)n1CC[NH+]1CCC(C)CC1 ZINC001305106958 1068175204 /nfs/dbraw/zinc/17/52/04/1068175204.db2.gz LLGWBWHRHFYATP-UHFFFAOYSA-N 1 0 477.451 3.400 20 0 JGADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001305106836 1068175216 /nfs/dbraw/zinc/17/52/16/1068175216.db2.gz WUQUHHUVFUMTNJ-VXKWHMMOSA-N 1 0 460.667 3.035 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001305106997 1068175812 /nfs/dbraw/zinc/17/58/12/1068175812.db2.gz MAGGGHTYHYZHCM-AONNBLCTSA-N 1 0 474.675 3.083 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001303648100 1068176180 /nfs/dbraw/zinc/17/61/80/1068176180.db2.gz GUWNMFPTDVEMKK-XLIONFOSSA-N 1 0 478.626 3.195 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001305107749 1068176805 /nfs/dbraw/zinc/17/68/05/1068176805.db2.gz OTNJNLFNDVGALK-UHFFFAOYSA-N 1 0 463.512 3.041 20 0 JGADRO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C ZINC001305107577 1068176875 /nfs/dbraw/zinc/17/68/75/1068176875.db2.gz JRAYLTMAITVVKZ-SFHLNBCPSA-N 1 0 472.609 3.174 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001305108415 1068178054 /nfs/dbraw/zinc/17/80/54/1068178054.db2.gz SKLVOZUHCUYOHX-SFTDATJTSA-N 1 0 476.666 3.350 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccc(Br)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001305108749 1068178057 /nfs/dbraw/zinc/17/80/57/1068178057.db2.gz ZHFFFKYMJQZYQY-QGZVFWFLSA-N 1 0 475.435 3.106 20 0 JGADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CCC(=O)N(C)C)C2)CC1 ZINC001305108926 1068178410 /nfs/dbraw/zinc/17/84/10/1068178410.db2.gz OHYKXYRTVQKXJE-OAQYLSRUSA-N 1 0 470.637 3.435 20 0 JGADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CC[NH+]1CCC(C)CC1 ZINC001305110016 1068180807 /nfs/dbraw/zinc/18/08/07/1068180807.db2.gz BTNPSWIPCMTHQA-RTWAWAEBSA-N 1 0 461.676 3.053 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001303651874 1068181725 /nfs/dbraw/zinc/18/17/25/1068181725.db2.gz DWXCWORLGYWXDM-GHTZIAJQSA-N 1 0 452.628 3.468 20 0 JGADRO C[C@@H](N1CCN(c2nnc(C3CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305111665 1068184094 /nfs/dbraw/zinc/18/40/94/1068184094.db2.gz FFHOOMLZQKPYSA-IXDOHACOSA-N 1 0 458.573 3.116 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(N(C)Cc3ccc(C(N)=O)cc3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305111725 1068184112 /nfs/dbraw/zinc/18/41/12/1068184112.db2.gz FVHJMXVKITXOQU-ROUUACIJSA-N 1 0 456.635 3.199 20 0 JGADRO CC(C)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305112016 1068184840 /nfs/dbraw/zinc/18/48/40/1068184840.db2.gz DKTJEYVMLWJUEH-PMACEKPBSA-N 1 0 456.635 3.322 20 0 JGADRO CC(C)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305111950 1068184888 /nfs/dbraw/zinc/18/48/88/1068184888.db2.gz HVOXFWPDHZMBCH-GOTSBHOMSA-N 1 0 496.700 3.256 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC(CCCO)CC2)C[C@@H](C)O1 ZINC001305111826 1068184907 /nfs/dbraw/zinc/18/49/07/1068184907.db2.gz DBCWBKGZRABLSG-WOJBJXKFSA-N 1 0 456.635 3.217 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC3(CCN(C)C3=O)CC2)C[C@@H](C)O1 ZINC001305112345 1068185965 /nfs/dbraw/zinc/18/59/65/1068185965.db2.gz KTFVEURYOKBEHR-WOJBJXKFSA-N 1 0 474.694 3.203 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N(C)[C@@H]2CCOC2)C[C@@H](C)O1 ZINC001305112550 1068186828 /nfs/dbraw/zinc/18/68/28/1068186828.db2.gz MIBGPEUSERWZES-GUDVDZBRSA-N 1 0 461.582 3.109 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(F)(F)C2)C[C@@H](C)O1 ZINC001305112630 1068187314 /nfs/dbraw/zinc/18/73/14/1068187314.db2.gz NPCKAORKTLTDBN-HZPDHXFCSA-N 1 0 482.601 3.003 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCc2nccs2)C[C@@H](C)O1 ZINC001305112620 1068187323 /nfs/dbraw/zinc/18/73/23/1068187323.db2.gz NMDHYKPIRRVVKG-RTBURBONSA-N 1 0 469.659 3.287 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](N3CCCC3=O)C2)C[C@@H](C)O1 ZINC001305112653 1068187433 /nfs/dbraw/zinc/18/74/33/1068187433.db2.gz NWODZKGJYWVKHF-NJYVYQBISA-N 1 0 474.694 3.346 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001305113013 1068188678 /nfs/dbraw/zinc/18/86/78/1068188678.db2.gz MBCBALYWDDGQKL-WOJBJXKFSA-N 1 0 462.639 3.307 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(F)cc2F)C[C@@H](C)O1 ZINC001305113136 1068188691 /nfs/dbraw/zinc/18/86/91/1068188691.db2.gz MGATUQLQFPPDGK-IAGOWNOFSA-N 1 0 473.572 3.481 20 0 JGADRO CC(C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305113176 1068189260 /nfs/dbraw/zinc/18/92/60/1068189260.db2.gz MWALEUIWDSTKDA-BGYRXZFFSA-N 1 0 460.667 3.271 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(F)(F)F ZINC001305114358 1068191629 /nfs/dbraw/zinc/19/16/29/1068191629.db2.gz RRAOAXFJZNIPMM-GUDVDZBRSA-N 1 0 495.594 3.301 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@H](C)O1 ZINC001305114260 1068191657 /nfs/dbraw/zinc/19/16/57/1068191657.db2.gz RAMRJLGBUUTGCG-IRXDYDNUSA-N 1 0 473.025 3.251 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCCCCC1 ZINC001305114286 1068191723 /nfs/dbraw/zinc/19/17/23/1068191723.db2.gz CBJFOPOFKYIODE-INIZCTEOSA-N 1 0 493.425 3.390 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCOC3)C2)C[C@H](C)O1 ZINC001305114453 1068192385 /nfs/dbraw/zinc/19/23/85/1068192385.db2.gz YFGXXDNEHRUKLQ-PBQROFAYSA-N 1 0 463.667 3.139 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCS[C@H](C)[C@H]2C)C[C@H](C)O1 ZINC001305114492 1068192517 /nfs/dbraw/zinc/19/25/17/1068192517.db2.gz YOLBEAKADHBOGL-IYWMVGAKSA-N 1 0 458.676 3.482 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CCc2nccs2)C[C@H](C)O1 ZINC001305114993 1068193318 /nfs/dbraw/zinc/19/33/18/1068193318.db2.gz VTORZMAURKMGAA-ROUUACIJSA-N 1 0 455.632 3.363 20 0 JGADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001303662997 1068193967 /nfs/dbraw/zinc/19/39/67/1068193967.db2.gz JUAYGMJUPMUGLM-MOPGFXCFSA-N 1 0 462.664 3.003 20 0 JGADRO C[C@H](CCn1c(-c2cccc(Br)c2)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCCC1 ZINC001303662966 1068194021 /nfs/dbraw/zinc/19/40/21/1068194021.db2.gz JEHVYLFQBYBXMH-QGZVFWFLSA-N 1 0 498.491 3.453 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303663158 1068194297 /nfs/dbraw/zinc/19/42/97/1068194297.db2.gz LFFGKGZPENRQGZ-OALUTQOASA-N 1 0 464.618 3.300 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@H](C)O1 ZINC001305115652 1068194334 /nfs/dbraw/zinc/19/43/34/1068194334.db2.gz ZGZHARQYGFPUHS-SZPZYZBQSA-N 1 0 499.704 3.023 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC001303663267 1068194997 /nfs/dbraw/zinc/19/49/97/1068194997.db2.gz BCWTYSHIMYNSIX-SIKLNZKXSA-N 1 0 454.619 3.003 20 0 JGADRO C[C@@H](CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)C1)[NH+]1CCCCC1 ZINC001303663850 1068195571 /nfs/dbraw/zinc/19/55/71/1068195571.db2.gz PGXKRNXCVIGTGJ-SFHVURJKSA-N 1 0 496.628 3.305 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1([NH+](C)C)CCC1 ZINC001305117142 1068196731 /nfs/dbraw/zinc/19/67/31/1068196731.db2.gz HUKBITDWXWTJSO-LJQANCHMSA-N 1 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JGADRO C[C@@H](CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001303666334 1068200062 /nfs/dbraw/zinc/20/00/62/1068200062.db2.gz CLEKDUAGSTZXFF-PKOBYXMFSA-N 1 0 452.525 3.296 20 0 JGADRO C[C@H](CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001303666330 1068200079 /nfs/dbraw/zinc/20/00/79/1068200079.db2.gz CLEKDUAGSTZXFF-IEBWSBKVSA-N 1 0 452.525 3.296 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1)[NH+]1CCCCC1 ZINC001303666680 1068200850 /nfs/dbraw/zinc/20/08/50/1068200850.db2.gz FEEJVUUJIXDHJN-SFTDATJTSA-N 1 0 476.666 3.494 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1)[NH+]1CCCCC1 ZINC001303669614 1068204025 /nfs/dbraw/zinc/20/40/25/1068204025.db2.gz VCTQBHRQRJCBSJ-DENIHFKCSA-N 1 0 454.619 3.172 20 0 JGADRO C[C@H](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1)[NH+]1CCCCC1 ZINC001303669962 1068204453 /nfs/dbraw/zinc/20/44/53/1068204453.db2.gz WZPAAZCHYPYIEE-UYAOXDASSA-N 1 0 462.639 3.450 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303669649 1068204545 /nfs/dbraw/zinc/20/45/45/1068204545.db2.gz VJRUUKHLPNUKGS-NHCUHLMSSA-N 1 0 476.666 3.494 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C4CC4)n3C[C@H](C)CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303671466 1068204852 /nfs/dbraw/zinc/20/48/52/1068204852.db2.gz BZEBKJFGRQVYMU-IFMALSPDSA-N 1 0 489.709 3.263 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C4CC4)n3C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303671469 1068205311 /nfs/dbraw/zinc/20/53/11/1068205311.db2.gz BZEBKJFGRQVYMU-UNMCSNQZSA-N 1 0 489.709 3.263 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+]2CCCC[C@H]2C)CC(C)(C)O1 ZINC001305122979 1068206817 /nfs/dbraw/zinc/20/68/17/1068206817.db2.gz PPUXQOHGFIGLRX-RTBURBONSA-N 1 0 455.607 3.194 20 0 JGADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1)[NH+](C)C ZINC001305122892 1068206900 /nfs/dbraw/zinc/20/69/00/1068206900.db2.gz YMLDGEDMKNOAMN-HOTGVXAUSA-N 1 0 475.435 3.350 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H](C(F)(F)F)O1 ZINC001305123539 1068208325 /nfs/dbraw/zinc/20/83/25/1068208325.db2.gz GVPVOSYFNZVHSS-ZACQAIPSSA-N 1 0 495.550 3.202 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001303672568 1068208498 /nfs/dbraw/zinc/20/84/98/1068208498.db2.gz TUFJIEYOZZABKM-PZJWPPBQSA-N 1 0 486.665 3.246 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001303675892 1068214370 /nfs/dbraw/zinc/21/43/70/1068214370.db2.gz VLYCFPJGKAXJRH-HKBOAZHASA-N 1 0 476.666 3.350 20 0 JGADRO CC(C)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001305129837 1068215000 /nfs/dbraw/zinc/21/50/00/1068215000.db2.gz PWIDFSBOUOTMKU-HFZDXXHNSA-N 1 0 471.646 3.359 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCSCC2)C[C@H](C)O1 ZINC001305132455 1068218852 /nfs/dbraw/zinc/21/88/52/1068218852.db2.gz IKOCELILNKPSAL-IYBDPMFKSA-N 1 0 466.449 3.370 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCC(=O)N(C)C ZINC001305134001 1068221227 /nfs/dbraw/zinc/22/12/27/1068221227.db2.gz OAXHNXYTJZCVJL-RTBURBONSA-N 1 0 472.609 3.346 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCSCC2)CC(C)(C)O1 ZINC001305134074 1068221677 /nfs/dbraw/zinc/22/16/77/1068221677.db2.gz PLWYWOWKUHGLKO-OAHLLOKOSA-N 1 0 483.480 3.099 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001305134505 1068222223 /nfs/dbraw/zinc/22/22/23/1068222223.db2.gz AYOOCOSVPBYZGW-GASCZTMLSA-N 1 0 451.413 3.239 20 0 JGADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccc(Br)cc1)[NH+](C)C ZINC001303685188 1068223125 /nfs/dbraw/zinc/22/31/25/1068223125.db2.gz ORWPQUNDRRKBQI-INIZCTEOSA-N 1 0 486.418 3.317 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001305135405 1068223659 /nfs/dbraw/zinc/22/36/59/1068223659.db2.gz HALDKKSBPQIUAV-PBHICJAKSA-N 1 0 461.916 3.333 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1)[NH+](C)C ZINC001303685252 1068223533 /nfs/dbraw/zinc/22/35/33/1068223533.db2.gz PCSQMNOITOEFSO-MSOLQXFVSA-N 1 0 498.582 3.037 20 0 JGADRO C[C@H](c1ccc(F)cc1F)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001303685689 1068223578 /nfs/dbraw/zinc/22/35/78/1068223578.db2.gz PCSQMNOITOEFSO-ZWKOTPCHSA-N 1 0 498.582 3.037 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001303685867 1068224001 /nfs/dbraw/zinc/22/40/01/1068224001.db2.gz FALAAUYZFLEOIT-VQIMIIECSA-N 1 0 469.977 3.107 20 0 JGADRO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCOC1)[N@H+](C)C1CC1 ZINC001303686613 1068224627 /nfs/dbraw/zinc/22/46/27/1068224627.db2.gz HHUINPNTTAWUDL-IEBWSBKVSA-N 1 0 475.037 3.207 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001303687696 1068225715 /nfs/dbraw/zinc/22/57/15/1068225715.db2.gz VZZSRCYXMFQPRO-SFHVURJKSA-N 1 0 461.010 3.165 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001305136837 1068226885 /nfs/dbraw/zinc/22/68/85/1068226885.db2.gz QWJVWLUOAVGMAN-QKLQHJQFSA-N 1 0 480.654 3.203 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H](C)Sc1ccccc1 ZINC001303688887 1068228366 /nfs/dbraw/zinc/22/83/66/1068228366.db2.gz PQKGJGDAHNDGMS-RBUKOAKNSA-N 1 0 492.715 3.134 20 0 JGADRO CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1F ZINC001303690310 1068230107 /nfs/dbraw/zinc/23/01/07/1068230107.db2.gz YNWUFYFQRNBMKO-VXKWHMMOSA-N 1 0 488.652 3.239 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001303691982 1068232234 /nfs/dbraw/zinc/23/22/34/1068232234.db2.gz NGSQANRYRBPWTN-INIZCTEOSA-N 1 0 490.425 3.447 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](C)Cc1cccs1 ZINC001305139195 1068232743 /nfs/dbraw/zinc/23/27/43/1068232743.db2.gz WEKOMKVKICQAMP-GBESFXJTSA-N 1 0 494.731 3.139 20 0 JGADRO C[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)NC(C)(C)C)[N@H+](C)C1CC1 ZINC001303692380 1068234003 /nfs/dbraw/zinc/23/40/03/1068234003.db2.gz WEEIIBIPYPYVRJ-KRWDZBQOSA-N 1 0 464.618 3.169 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCSCC2)C[C@H](C)O1 ZINC001305141224 1068235779 /nfs/dbraw/zinc/23/57/79/1068235779.db2.gz FWUQPMCBWCFKKX-HOTGVXAUSA-N 1 0 466.449 3.370 20 0 JGADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001303693642 1068236576 /nfs/dbraw/zinc/23/65/76/1068236576.db2.gz ATKZKJBPTBSWQI-IAGOWNOFSA-N 1 0 459.545 3.299 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C)C2)C1 ZINC001305141929 1068238019 /nfs/dbraw/zinc/23/80/19/1068238019.db2.gz CAXOETXLMLMFHJ-RBUKOAKNSA-N 1 0 477.700 3.411 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](C2CC2)[NH+](C)C)CC(=O)N1C ZINC001305141856 1068238092 /nfs/dbraw/zinc/23/80/92/1068238092.db2.gz JNSKYMYQNCPBLO-SCLBCKFNSA-N 1 0 495.853 3.368 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(-c2ccccc2)n1)[NH+](C)C ZINC001303695411 1068238413 /nfs/dbraw/zinc/23/84/13/1068238413.db2.gz UBVUXDKZFCBVPE-MRXNPFEDSA-N 1 0 451.966 3.161 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCC(O)CC2)CCCO1 ZINC001305142445 1068239567 /nfs/dbraw/zinc/23/95/67/1068239567.db2.gz JINKCYCALBKSMI-OAHLLOKOSA-N 1 0 484.464 3.231 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001303696934 1068240254 /nfs/dbraw/zinc/24/02/54/1068240254.db2.gz VPMDVKLDWHUKJI-AWEZNQCLSA-N 1 0 462.467 3.181 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303698688 1068241449 /nfs/dbraw/zinc/24/14/49/1068241449.db2.gz FDAKIHSMZNNVFC-RTWAWAEBSA-N 1 0 484.645 3.359 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H](C)S1 ZINC001305143663 1068243023 /nfs/dbraw/zinc/24/30/23/1068243023.db2.gz VJFDOVVXFDYZBN-SXGZJXTBSA-N 1 0 466.449 3.104 20 0 JGADRO C[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303701425 1068245203 /nfs/dbraw/zinc/24/52/03/1068245203.db2.gz YGUDEAGUUUWCSA-MSOLQXFVSA-N 1 0 486.617 3.365 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001305145309 1068246101 /nfs/dbraw/zinc/24/61/01/1068246101.db2.gz XQYUVVISPDOQHJ-DBXWQHBBSA-N 1 0 486.642 3.184 20 0 JGADRO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303702868 1068246954 /nfs/dbraw/zinc/24/69/54/1068246954.db2.gz GHLAOAHWUIRNBM-IEBWSBKVSA-N 1 0 455.607 3.316 20 0 JGADRO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303702869 1068247119 /nfs/dbraw/zinc/24/71/19/1068247119.db2.gz GHLAOAHWUIRNBM-MJGOQNOKSA-N 1 0 455.607 3.316 20 0 JGADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001305146731 1068248175 /nfs/dbraw/zinc/24/81/75/1068248175.db2.gz PPDKBLAAOCIRLW-QGZVFWFLSA-N 1 0 460.026 3.076 20 0 JGADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC001303705458 1068250032 /nfs/dbraw/zinc/25/00/32/1068250032.db2.gz MVNQRGFWAAGWJJ-GUDVDZBRSA-N 1 0 458.632 3.052 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C[NH+](C)C)C[C@]2(CCCOC2)O1 ZINC001305148134 1068251125 /nfs/dbraw/zinc/25/11/25/1068251125.db2.gz WBHLWULXXXDXAV-SBUREZEXSA-N 1 0 463.026 3.356 20 0 JGADRO CC(C)n1nc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303707212 1068252326 /nfs/dbraw/zinc/25/23/26/1068252326.db2.gz GUJHVCCGOULSGS-DLBZAZTESA-N 1 0 455.632 3.128 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001303707539 1068252819 /nfs/dbraw/zinc/25/28/19/1068252819.db2.gz IVPXKRASTVRNSB-KKSFZXQISA-N 1 0 458.010 3.232 20 0 JGADRO C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)c1cccs1)[NH+](C)C ZINC001303707419 1068252853 /nfs/dbraw/zinc/25/28/53/1068252853.db2.gz HJONRAJCOPVDFC-HOTGVXAUSA-N 1 0 451.600 3.401 20 0 JGADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001303707538 1068252883 /nfs/dbraw/zinc/25/28/83/1068252883.db2.gz IVPXKRASTVRNSB-IIBYNOLFSA-N 1 0 458.010 3.232 20 0 JGADRO C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001303708453 1068254407 /nfs/dbraw/zinc/25/44/07/1068254407.db2.gz OXVQWCZLQFMVEZ-NSHDSACASA-N 1 0 482.429 3.277 20 0 JGADRO C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(Br)s1)[NH+](C)C ZINC001303709244 1068255013 /nfs/dbraw/zinc/25/50/13/1068255013.db2.gz SFHFKPSUPSGWON-GFCCVEGCSA-N 1 0 481.420 3.416 20 0 JGADRO CC(C)n1nc(-c2nnc(N(C)Cc3ccccn3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303709249 1068255105 /nfs/dbraw/zinc/25/51/05/1068255105.db2.gz SIGNVBYPVKZXHN-GOSISDBHSA-N 1 0 460.586 3.217 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)[N@H+](C)C1CC1 ZINC001303715594 1068262533 /nfs/dbraw/zinc/26/25/33/1068262533.db2.gz AESSBNGAGAOCFD-QZTJIDSGSA-N 1 0 464.680 3.429 20 0 JGADRO C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCc1ccccc1F)[NH+](C)C ZINC001303715883 1068263116 /nfs/dbraw/zinc/26/31/16/1068263116.db2.gz FKJCKSOUKINEOQ-IBGZPJMESA-N 1 0 466.609 3.220 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C)S1 ZINC001305154895 1068263598 /nfs/dbraw/zinc/26/35/98/1068263598.db2.gz PHVGGIIOWGPBBT-MDOVXXIYSA-N 1 0 466.449 3.104 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1)[NH+](C)C ZINC001303716158 1068263891 /nfs/dbraw/zinc/26/38/91/1068263891.db2.gz GDDJXKZNGIFYNP-KPFFTGBYSA-N 1 0 465.545 3.302 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCCO1 ZINC001305156462 1068264809 /nfs/dbraw/zinc/26/48/09/1068264809.db2.gz CQSHYZMTPNXSQB-FQEVSTJZSA-N 1 0 450.587 3.334 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+](C)C ZINC001303717383 1068265719 /nfs/dbraw/zinc/26/57/19/1068265719.db2.gz KUJOLWPYRKIHGO-GHTZIAJQSA-N 1 0 499.660 3.078 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305157031 1068265900 /nfs/dbraw/zinc/26/59/00/1068265900.db2.gz YDOGRQMZRJXTOC-JKSBSHDWSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](Oc2ccccn2)C1)[NH+](C)C ZINC001303718102 1068266129 /nfs/dbraw/zinc/26/61/29/1068266129.db2.gz RDLUZZDJTYZUGW-PZJWPPBQSA-N 1 0 499.660 3.395 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nccs1)[NH+](C)C ZINC001303719127 1068268040 /nfs/dbraw/zinc/26/80/40/1068268040.db2.gz SHTHTGHTAMLCDQ-IAGOWNOFSA-N 1 0 463.652 3.436 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305162595 1068270591 /nfs/dbraw/zinc/27/05/91/1068270591.db2.gz KMHGGVJPYBUSEQ-MJGOQNOKSA-N 1 0 484.605 3.020 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCSC1)[N@H+](C)C1CC1 ZINC001303723211 1068273177 /nfs/dbraw/zinc/27/31/77/1068273177.db2.gz RRWNWUBYZLYRRY-NZSAHSFTSA-N 1 0 480.679 3.011 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001303723162 1068273305 /nfs/dbraw/zinc/27/33/05/1068273305.db2.gz FUGZYXZYBGDKEC-ZACQAIPSSA-N 1 0 490.571 3.315 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305164312 1068273617 /nfs/dbraw/zinc/27/36/17/1068273617.db2.gz UGIXWWBVFPSWRM-ICSRJNTNSA-N 1 0 486.665 3.293 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCCCC[NH+]2CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305164383 1068274225 /nfs/dbraw/zinc/27/42/25/1068274225.db2.gz GODUUEUREYABIY-FPOVZHCZSA-N 1 0 484.649 3.351 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)[NH+](C)C)CCN1CC(F)(F)F ZINC001305165159 1068275402 /nfs/dbraw/zinc/27/54/02/1068275402.db2.gz YOQZFSGQRBHBLF-DOTOQJQBSA-N 1 0 482.580 3.116 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305166256 1068277319 /nfs/dbraw/zinc/27/73/19/1068277319.db2.gz YBJMHVZAURCEEP-ICSRJNTNSA-N 1 0 484.649 3.349 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC(C)(C)C1 ZINC001305167550 1068278439 /nfs/dbraw/zinc/27/84/39/1068278439.db2.gz BFQALZJEXAYKAX-DENIHFKCSA-N 1 0 468.646 3.285 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+](C)C ZINC001303726515 1068279351 /nfs/dbraw/zinc/27/93/51/1068279351.db2.gz FMFQGWDSKKUHGE-YCRPNKLZSA-N 1 0 457.516 3.488 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303728247 1068282268 /nfs/dbraw/zinc/28/22/68/1068282268.db2.gz KRPWVBUEFYOANQ-WOJBJXKFSA-N 1 0 483.661 3.440 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303730320 1068285286 /nfs/dbraw/zinc/28/52/86/1068285286.db2.gz ASYNIGUDDOPQFE-HXUWFJFHSA-N 1 0 487.574 3.469 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303730099 1068285303 /nfs/dbraw/zinc/28/53/03/1068285303.db2.gz YZMYIBQLKWIWBF-SFHVURJKSA-N 1 0 457.623 3.050 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303731584 1068286654 /nfs/dbraw/zinc/28/66/54/1068286654.db2.gz ODKBHUDMYYHPQG-HXUWFJFHSA-N 1 0 469.584 3.172 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305176532 1068289518 /nfs/dbraw/zinc/28/95/18/1068289518.db2.gz SLMJKJXPRIPGIV-AABGKKOBSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303734519 1068290702 /nfs/dbraw/zinc/29/07/02/1068290702.db2.gz KJMIZKSWTZILRE-WOJBJXKFSA-N 1 0 472.634 3.343 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC001305177534 1068291610 /nfs/dbraw/zinc/29/16/10/1068291610.db2.gz WZQACTVJYJFCMY-MOPGFXCFSA-N 1 0 462.639 3.102 20 0 JGADRO C[C@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303734903 1068291823 /nfs/dbraw/zinc/29/18/23/1068291823.db2.gz QXSIIZSEMRSGPT-TZIWHRDSSA-N 1 0 456.635 3.364 20 0 JGADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCSC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001303736421 1068294578 /nfs/dbraw/zinc/29/45/78/1068294578.db2.gz LVKPIYMWLFMCEC-LJQANCHMSA-N 1 0 456.660 3.253 20 0 JGADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001303739081 1068299343 /nfs/dbraw/zinc/29/93/43/1068299343.db2.gz XJHAEZIMJXDDBA-CTNGQTDRSA-N 1 0 468.646 3.306 20 0 JGADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1COC(C)(C)OC1)[N@H+](C)C1CC1 ZINC001303739276 1068299472 /nfs/dbraw/zinc/29/94/72/1068299472.db2.gz YBBXCQPCUXPQDG-QGZVFWFLSA-N 1 0 461.582 3.314 20 0 JGADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOCC2(CCC2)C1)[NH+](C)C ZINC001303742531 1068301006 /nfs/dbraw/zinc/30/10/06/1068301006.db2.gz AAPGHZUOAZTPLB-GBESFXJTSA-N 1 0 462.639 3.006 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[NH+](C)C ZINC001303743322 1068302142 /nfs/dbraw/zinc/30/21/42/1068302142.db2.gz NSFVPVXQIFAXHD-IOMROCGXSA-N 1 0 477.675 3.187 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)C ZINC001305184233 1068302319 /nfs/dbraw/zinc/30/23/19/1068302319.db2.gz UBMUQTFNOSVTLT-PMACEKPBSA-N 1 0 464.655 3.346 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCNC(=O)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303744220 1068303887 /nfs/dbraw/zinc/30/38/87/1068303887.db2.gz BZIHHXIUTGTFNR-ZWKOTPCHSA-N 1 0 461.010 3.130 20 0 JGADRO C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1)C[NH+]1CCCC1 ZINC001303744588 1068304779 /nfs/dbraw/zinc/30/47/79/1068304779.db2.gz DIABPFKDOCPNAD-SFHVURJKSA-N 1 0 477.700 3.412 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(N)=O)CC1)C[NH+]1CCCC1 ZINC001303744976 1068305326 /nfs/dbraw/zinc/30/53/26/1068305326.db2.gz FYBWNLMELADVTR-INIZCTEOSA-N 1 0 475.435 3.141 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccnn1C)C1CC1)[NH+](C)C ZINC001303745500 1068306036 /nfs/dbraw/zinc/30/60/36/1068306036.db2.gz XMKDDXDPOGHXJV-PXNSSMCTSA-N 1 0 472.638 3.203 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001303745415 1068306071 /nfs/dbraw/zinc/30/60/71/1068306071.db2.gz HDMJIAHBRXOPIW-OALUTQOASA-N 1 0 495.093 3.096 20 0 JGADRO C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC(C)(C)C)C[NH+]1CCCC1 ZINC001303745968 1068306488 /nfs/dbraw/zinc/30/64/88/1068306488.db2.gz QQEHAIUZPZLLJJ-SFHVURJKSA-N 1 0 451.619 3.406 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001303745802 1068306676 /nfs/dbraw/zinc/30/66/76/1068306676.db2.gz JIJADRNMPGPKAI-SFTDATJTSA-N 1 0 455.651 3.004 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303746575 1068307591 /nfs/dbraw/zinc/30/75/91/1068307591.db2.gz MHSXODRCSNKMQQ-MSOLQXFVSA-N 1 0 451.541 3.145 20 0 JGADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303746782 1068308005 /nfs/dbraw/zinc/30/80/05/1068308005.db2.gz WGPFLWKBYCNMTQ-WOJBJXKFSA-N 1 0 455.651 3.384 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(c2nccs2)CC1)[NH+](C)C ZINC001303746965 1068308347 /nfs/dbraw/zinc/30/83/47/1068308347.db2.gz UOAAGMMDXDYKMR-GUDVDZBRSA-N 1 0 461.680 3.320 20 0 JGADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303747195 1068308453 /nfs/dbraw/zinc/30/84/53/1068308453.db2.gz ZJZLGPRRXOSRRU-VQTJNVASSA-N 1 0 486.665 3.152 20 0 JGADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001303748172 1068309115 /nfs/dbraw/zinc/30/91/15/1068309115.db2.gz XOUFAYMTHIWFAT-HZPDHXFCSA-N 1 0 493.425 3.280 20 0 JGADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001303748166 1068309279 /nfs/dbraw/zinc/30/92/79/1068309279.db2.gz XOUFAYMTHIWFAT-CVEARBPZSA-N 1 0 493.425 3.280 20 0 JGADRO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1(C)C)C[NH+]1CCCC1 ZINC001303748281 1068309551 /nfs/dbraw/zinc/30/95/51/1068309551.db2.gz YUYJKYPKOMSFLG-IBGZPJMESA-N 1 0 474.675 3.306 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C)C[NH+]1CCCC1 ZINC001303748274 1068309591 /nfs/dbraw/zinc/30/95/91/1068309591.db2.gz YSKYBZNKGCTBJA-IAGOWNOFSA-N 1 0 475.435 3.106 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1(C)C)C[NH+]1CCCC1 ZINC001303748282 1068309964 /nfs/dbraw/zinc/30/99/64/1068309964.db2.gz YUYJKYPKOMSFLG-LJQANCHMSA-N 1 0 474.675 3.306 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCC[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC001305190016 1068310636 /nfs/dbraw/zinc/31/06/36/1068310636.db2.gz DGDDYLVARXRWBL-FXAWDEMLSA-N 1 0 485.526 3.276 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC001303751333 1068311704 /nfs/dbraw/zinc/31/17/04/1068311704.db2.gz KCBWUYFYLNFVMV-WOJBJXKFSA-N 1 0 499.685 3.402 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303751353 1068311907 /nfs/dbraw/zinc/31/19/07/1068311907.db2.gz IUMBANOIYCGOMU-VQQMMKBISA-N 1 0 489.583 3.207 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001303752292 1068312691 /nfs/dbraw/zinc/31/26/91/1068312691.db2.gz OOUJVJWPILKQQV-MOPGFXCFSA-N 1 0 495.093 3.191 20 0 JGADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303751929 1068312800 /nfs/dbraw/zinc/31/28/00/1068312800.db2.gz MZBDPBIEFHTYGT-UXHICEINSA-N 1 0 487.649 3.125 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001303751995 1068312877 /nfs/dbraw/zinc/31/28/77/1068312877.db2.gz CRORAWJSPUOVPX-OAQYLSRUSA-N 1 0 467.662 3.081 20 0 JGADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1ccccc1F)C[NH+]1CCCCC1 ZINC001303752546 1068312952 /nfs/dbraw/zinc/31/29/52/1068312952.db2.gz OWIOSMKZJMMDTM-IBGZPJMESA-N 1 0 455.582 3.455 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305191531 1068314082 /nfs/dbraw/zinc/31/40/82/1068314082.db2.gz USIKNJOFUGKUPT-RTBURBONSA-N 1 0 462.038 3.371 20 0 JGADRO C[C@@H](Cn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCC1 ZINC001303752939 1068314139 /nfs/dbraw/zinc/31/41/39/1068314139.db2.gz UMLGCARKKLIGLZ-OAQYLSRUSA-N 1 0 467.662 3.068 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305191945 1068314448 /nfs/dbraw/zinc/31/44/48/1068314448.db2.gz VOIBSGKDEXFSKN-UGKGYDQZSA-N 1 0 459.610 3.249 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305191943 1068314532 /nfs/dbraw/zinc/31/45/32/1068314532.db2.gz VOIBSGKDEXFSKN-KNQAVFIVSA-N 1 0 459.610 3.249 20 0 JGADRO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC001303753082 1068314712 /nfs/dbraw/zinc/31/47/12/1068314712.db2.gz RDCVRENYTCDMOQ-NRFANRHFSA-N 1 0 455.651 3.009 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001305192273 1068315571 /nfs/dbraw/zinc/31/55/71/1068315571.db2.gz PEGIBFNPHKBFKH-MNEFBYGVSA-N 1 0 469.508 3.287 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)C[NH+]1CCOCC1 ZINC001303753865 1068316133 /nfs/dbraw/zinc/31/61/33/1068316133.db2.gz FDHZQJMEYFUMGE-BFYDXBDKSA-N 1 0 488.942 3.118 20 0 JGADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC001303754435 1068317224 /nfs/dbraw/zinc/31/72/24/1068317224.db2.gz RUXAVRYFVDEJEG-DHLKQENFSA-N 1 0 495.716 3.337 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001303754935 1068317927 /nfs/dbraw/zinc/31/79/27/1068317927.db2.gz KHOUCIBAEBEZHC-WOJBJXKFSA-N 1 0 464.655 3.206 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCCCC1)C[NH+]1CCOCC1 ZINC001303754964 1068318327 /nfs/dbraw/zinc/31/83/27/1068318327.db2.gz KKXDQBMZOPQORC-QGZVFWFLSA-N 1 0 465.440 3.395 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001303755368 1068319225 /nfs/dbraw/zinc/31/92/25/1068319225.db2.gz WQXQBCAFIMCUTO-AABGKKOBSA-N 1 0 472.600 3.367 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303755844 1068319892 /nfs/dbraw/zinc/31/98/92/1068319892.db2.gz ZHJPOZUBFYXFIF-HKBOAZHASA-N 1 0 476.666 3.398 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001305195569 1068320582 /nfs/dbraw/zinc/32/05/82/1068320582.db2.gz LYRQWTUNPQHVAY-FQEVSTJZSA-N 1 0 469.634 3.195 20 0 JGADRO C[C@H](Cn1c(C2CC2)nnc1N(CCO)Cc1cc(Br)ccc1F)C[NH+]1CCOCC1 ZINC001303758592 1068322007 /nfs/dbraw/zinc/32/20/07/1068322007.db2.gz DDPPOHMBZUFVCE-INIZCTEOSA-N 1 0 496.425 3.024 20 0 JGADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1)C[NH+]1CCOCC1 ZINC001303758828 1068322277 /nfs/dbraw/zinc/32/22/77/1068322277.db2.gz IYRLSLBBHAQXEI-SQQYVQODSA-N 1 0 470.643 3.176 20 0 JGADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303758750 1068322798 /nfs/dbraw/zinc/32/27/98/1068322798.db2.gz HDOQSHDBLMGKRN-CTNGQTDRSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(Cl)c(F)c1)C[NH+]1CCOCC1 ZINC001303758791 1068322835 /nfs/dbraw/zinc/32/28/35/1068322835.db2.gz IGHWQXFRJKOSII-MRXNPFEDSA-N 1 0 461.973 3.076 20 0 JGADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303758899 1068323422 /nfs/dbraw/zinc/32/34/22/1068323422.db2.gz KLFFENSJCNILBV-LJQANCHMSA-N 1 0 487.649 3.125 20 0 JGADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC001303759969 1068325171 /nfs/dbraw/zinc/32/51/71/1068325171.db2.gz VFQSOJJVYIRKCZ-JOCHJYFZSA-N 1 0 482.673 3.188 20 0 JGADRO O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001305203056 1068327444 /nfs/dbraw/zinc/32/74/44/1068327444.db2.gz ZDUYFZCZGLQUBI-UHFFFAOYSA-N 1 0 456.608 3.114 20 0 JGADRO C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001305204274 1068328881 /nfs/dbraw/zinc/32/88/81/1068328881.db2.gz OXPUZIXIZINZSN-JTHBVZDNSA-N 1 0 484.714 3.338 20 0 JGADRO 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CC(C)[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1)C(C)C ZINC001305210127 1068339250 /nfs/dbraw/zinc/33/92/50/1068339250.db2.gz PEEJGHFAILCHLK-AZUAARDMSA-N 1 0 474.675 3.392 20 0 JGADRO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001303767918 1068340516 /nfs/dbraw/zinc/34/05/16/1068340516.db2.gz FVEHDZSHXWPGMB-FQEVSTJZSA-N 1 0 483.661 3.489 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001305211952 1068341873 /nfs/dbraw/zinc/34/18/73/1068341873.db2.gz VNMUTHMXLGXPJF-RBBKRZOGSA-N 1 0 454.619 3.097 20 0 JGADRO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)CCCO1 ZINC001305212198 1068342344 /nfs/dbraw/zinc/34/23/44/1068342344.db2.gz HZQQPHPXFLFBAX-IBGZPJMESA-N 1 0 464.010 3.238 20 0 JGADRO C[C@@H](CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001305211988 1068342401 /nfs/dbraw/zinc/34/24/01/1068342401.db2.gz VUHSJXJVHPWVPQ-VQTJNVASSA-N 1 0 482.654 3.405 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1([NH+](C)C)CCCCC1 ZINC001303770726 1068345096 /nfs/dbraw/zinc/34/50/96/1068345096.db2.gz BLSVGLKMBPGHFA-LJQANCHMSA-N 1 0 499.685 3.469 20 0 JGADRO C[C@H]1OCC[C@@]12CN(c1nnc(COc3ccc(F)cc3)n1CC(C)(C)C[NH+](C)C)C[C@@H](C)O2 ZINC001305213984 1068346632 /nfs/dbraw/zinc/34/66/32/1068346632.db2.gz WEDFWHWDAAWFLB-MPCDZSKCSA-N 1 0 475.609 3.357 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001305214244 1068347861 /nfs/dbraw/zinc/34/78/61/1068347861.db2.gz CGVNGTFZMSRFMK-UMEGOILYSA-N 1 0 475.609 3.499 20 0 JGADRO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305214456 1068348357 /nfs/dbraw/zinc/34/83/57/1068348357.db2.gz FILZUSFXPJRBLE-QRVBRYPASA-N 1 0 461.582 3.109 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC[NH+]1CCCCCC1 ZINC001303772150 1068349706 /nfs/dbraw/zinc/34/97/06/1068349706.db2.gz VWKFPHKJBGSDMJ-QGZVFWFLSA-N 1 0 485.601 3.292 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccccc2OCC[NH+](C)C)CCO1 ZINC001305215341 1068350006 /nfs/dbraw/zinc/35/00/06/1068350006.db2.gz CFVBGKRAPOMZEA-XKCSPQBFSA-N 1 0 471.646 3.411 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303773949 1068352169 /nfs/dbraw/zinc/35/21/69/1068352169.db2.gz NKHSKYHXWFLFKJ-FQEVSTJZSA-N 1 0 499.685 3.265 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC(=O)N1C ZINC001305216845 1068352388 /nfs/dbraw/zinc/35/23/88/1068352388.db2.gz MIBQVUUXLJOQBM-DEXHYYOUSA-N 1 0 474.694 3.374 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC(=O)N1C ZINC001305218041 1068354418 /nfs/dbraw/zinc/35/44/18/1068354418.db2.gz VHWSPJNGYUUYCT-XMXZMMKCSA-N 1 0 486.636 3.306 20 0 JGADRO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCOC2)CCCO1 ZINC001305219338 1068356182 /nfs/dbraw/zinc/35/61/82/1068356182.db2.gz AWIJEOARBGQMIY-WOJBJXKFSA-N 1 0 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DWZNNYKITOZDMS-LJQANCHMSA-N 1 0 480.583 3.464 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3cccc4cccnc43)n2CCOCC[NH+](C)C)CC1)C(F)(F)F ZINC001303787500 1068368795 /nfs/dbraw/zinc/36/87/95/1068368795.db2.gz FUTVAPGZJBOKTO-SFHVURJKSA-N 1 0 491.562 3.144 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CCCCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303787858 1068369011 /nfs/dbraw/zinc/36/90/11/1068369011.db2.gz HYDHUCPTFSBGMA-IBGZPJMESA-N 1 0 482.599 3.408 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)C2CCCC2)CC1)C(F)(F)F ZINC001303787996 1068369773 /nfs/dbraw/zinc/36/97/73/1068369773.db2.gz JFSVGWIZKBQKPH-KRWDZBQOSA-N 1 0 451.541 3.287 20 0 JGADRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001305226010 1068370115 /nfs/dbraw/zinc/37/01/15/1068370115.db2.gz QLMQIGIKZMVASE-ICSRJNTNSA-N 1 0 454.036 3.459 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305226350 1068370313 /nfs/dbraw/zinc/37/03/13/1068370313.db2.gz YPXJVSCAXZCESW-PKOBYXMFSA-N 1 0 491.587 3.097 20 0 JGADRO C[C@@H]1COCCN1c1nnc(-c2ccc(Br)s2)n1CC1([NH+](C)C)CCOCC1 ZINC001305227439 1068371924 /nfs/dbraw/zinc/37/19/24/1068371924.db2.gz GWHRADGUOMKUEH-CQSZACIVSA-N 1 0 470.437 3.105 20 0 JGADRO C[C@H](N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1)C(F)(F)F ZINC001303791934 1068375268 /nfs/dbraw/zinc/37/52/68/1068375268.db2.gz BHEMLJJUFBYDDX-IBGZPJMESA-N 1 0 479.595 3.459 20 0 JGADRO C[C@@H]1COCCN1c1nnc(-c2ccc(Br)cc2)n1CCCC[NH+]1CCOCC1 ZINC001305230074 1068375569 /nfs/dbraw/zinc/37/55/69/1068375569.db2.gz QGWDPCMKQVZGMC-QGZVFWFLSA-N 1 0 464.408 3.045 20 0 JGADRO C[C@@H](N1CCN(c2nnc(Cc3ccccc3F)n2CCCC[NH+]2CCOCC2)CC1)C(F)(F)F ZINC001303793051 1068377833 /nfs/dbraw/zinc/37/78/33/1068377833.db2.gz NWODLGYFPARDCM-LJQANCHMSA-N 1 0 498.569 3.193 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 ZINC001303794905 1068381253 /nfs/dbraw/zinc/38/12/53/1068381253.db2.gz BTEDXSADTOJOGP-SFHVURJKSA-N 1 0 472.588 3.195 20 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C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303817971 1068431474 /nfs/dbraw/zinc/43/14/74/1068431474.db2.gz VREPVNWJWYTOKH-VQIMIIECSA-N 1 0 488.649 3.167 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1CC1([NH+](C)C)CCCC1 ZINC001303819787 1068434987 /nfs/dbraw/zinc/43/49/87/1068434987.db2.gz JLMREWDCNIORLE-QGZVFWFLSA-N 1 0 478.638 3.071 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001305262801 1068435957 /nfs/dbraw/zinc/43/59/57/1068435957.db2.gz DNHXWTSKKLPLOH-MJGOQNOKSA-N 1 0 471.631 3.025 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001303820212 1068436082 /nfs/dbraw/zinc/43/60/82/1068436082.db2.gz LTOHAWOETJVSHO-SJLPKXTDSA-N 1 0 482.676 3.097 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305263408 1068437183 /nfs/dbraw/zinc/43/71/83/1068437183.db2.gz CQCSYDRNKMBLRI-JTHBVZDNSA-N 1 0 467.662 3.271 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC001305264392 1068441573 /nfs/dbraw/zinc/44/15/73/1068441573.db2.gz FPIOUIPRVWFUFS-ZTCOLXNVSA-N 1 0 482.673 3.292 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303826670 1068444166 /nfs/dbraw/zinc/44/41/66/1068444166.db2.gz MAOYHQXPQGILKA-URVUXULASA-N 1 0 488.702 3.393 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001305265056 1068444163 /nfs/dbraw/zinc/44/41/63/1068444163.db2.gz MBKSREBQEMJFNN-HXUWFJFHSA-N 1 0 475.037 3.204 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303826665 1068444260 /nfs/dbraw/zinc/44/42/60/1068444260.db2.gz MAOYHQXPQGILKA-JAXLGGSGSA-N 1 0 488.702 3.393 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(C)C)C1 ZINC001305265945 1068447461 /nfs/dbraw/zinc/44/74/61/1068447461.db2.gz JMNDUMRUWVPMJJ-QHCPKHFHSA-N 1 0 481.689 3.184 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001305265955 1068448081 /nfs/dbraw/zinc/44/80/81/1068448081.db2.gz QKCOBXINTJIFOS-SFHVURJKSA-N 1 0 492.466 3.263 20 0 JGADRO CC(C)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303828313 1068448950 /nfs/dbraw/zinc/44/89/50/1068448950.db2.gz MXTYFPXMMWEFQX-RXVVDRJESA-N 1 0 462.664 3.064 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1Cc1cccc(C[NH+](C)C)c1 ZINC001303828645 1068450437 /nfs/dbraw/zinc/45/04/37/1068450437.db2.gz WKDLMPBYVAURMZ-MOXQZVSFSA-N 1 0 474.675 3.013 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001305266863 1068451342 /nfs/dbraw/zinc/45/13/42/1068451342.db2.gz PKTVSSVHFMKQLZ-QUCCMNQESA-N 1 0 455.632 3.143 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001305267172 1068453325 /nfs/dbraw/zinc/45/33/25/1068453325.db2.gz MLEXZZKVKHVVLV-MOPGFXCFSA-N 1 0 474.600 3.374 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001305268021 1068456453 /nfs/dbraw/zinc/45/64/53/1068456453.db2.gz QXHAVVQHBUHVDM-FGZHOGPDSA-N 1 0 489.064 3.330 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303832193 1068457839 /nfs/dbraw/zinc/45/78/39/1068457839.db2.gz UZQBONJIYSFLTE-MOPGFXCFSA-N 1 0 466.696 3.027 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001303832768 1068459980 /nfs/dbraw/zinc/45/99/80/1068459980.db2.gz ZXZCHDGNINMHRX-FGTMMUONSA-N 1 0 480.704 3.269 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001305269768 1068463531 /nfs/dbraw/zinc/46/35/31/1068463531.db2.gz VGVSWYBOEYMPLN-FQEVSTJZSA-N 1 0 456.635 3.059 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001305271479 1068468391 /nfs/dbraw/zinc/46/83/91/1068468391.db2.gz ZMYYSFMGHMJKRB-PIBDYAPNSA-N 1 0 453.635 3.346 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CCCCC[NH+]1CCCCC1 ZINC001303843310 1068473497 /nfs/dbraw/zinc/47/34/97/1068473497.db2.gz IPNJDUWRLYMSQI-LJQANCHMSA-N 1 0 460.648 3.239 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303844984 1068478134 /nfs/dbraw/zinc/47/81/34/1068478134.db2.gz KTKJNRFMFSYUKK-IHPCNDPISA-N 1 0 496.628 3.034 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303844986 1068478204 /nfs/dbraw/zinc/47/82/04/1068478204.db2.gz KTKJNRFMFSYUKK-YSIASYRMSA-N 1 0 496.628 3.034 20 0 JGADRO CC(C)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001303846499 1068480568 /nfs/dbraw/zinc/48/05/68/1068480568.db2.gz AHKBDISMNFQEGM-LEWJYISDSA-N 1 0 480.723 3.417 20 0 JGADRO CC(C)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001303846508 1068480576 /nfs/dbraw/zinc/48/05/76/1068480576.db2.gz AHKBDISMNFQEGM-SFTDATJTSA-N 1 0 480.723 3.417 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CC1=CCCCC1 ZINC001303850326 1068485445 /nfs/dbraw/zinc/48/54/45/1068485445.db2.gz SSRLNVOYOCLZMF-URVUXULASA-N 1 0 478.707 3.480 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001303851377 1068489075 /nfs/dbraw/zinc/48/90/75/1068489075.db2.gz DBMMRZCOMZFDMB-YLJYHZDGSA-N 1 0 466.627 3.101 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1CC[NH+]1CCCCCC1 ZINC001303851555 1068489663 /nfs/dbraw/zinc/48/96/63/1068489663.db2.gz GQYRVBJINFSWOF-RXVVDRJESA-N 1 0 478.638 3.245 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]2CCC[C@H]21)C(C)C ZINC001303851849 1068490910 /nfs/dbraw/zinc/49/09/10/1068490910.db2.gz IRLZDPMJAJFVPJ-XUVXKRRUSA-N 1 0 454.685 3.166 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccc(C(C)(F)F)cc1 ZINC001303852981 1068493076 /nfs/dbraw/zinc/49/30/76/1068493076.db2.gz ONMCKALIBDKTHC-QGZVFWFLSA-N 1 0 498.644 3.359 20 0 JGADRO CC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001305290655 1068493664 /nfs/dbraw/zinc/49/36/64/1068493664.db2.gz ZKXHHYIFMPSAOU-RUZDIDTESA-N 1 0 454.619 3.373 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001303855954 1068496539 /nfs/dbraw/zinc/49/65/39/1068496539.db2.gz CIQGCRYOARNWDG-MRXNPFEDSA-N 1 0 499.056 3.184 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccc(Cl)c1 ZINC001303857738 1068498081 /nfs/dbraw/zinc/49/80/81/1068498081.db2.gz KELYNAUGVCIKQT-KRWDZBQOSA-N 1 0 481.066 3.045 20 0 JGADRO CC[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305293704 1068498227 /nfs/dbraw/zinc/49/82/27/1068498227.db2.gz IQULBFURVBUJSZ-UZINWLIJSA-N 1 0 488.652 3.323 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001305293724 1068498255 /nfs/dbraw/zinc/49/82/55/1068498255.db2.gz ISPVPHUYWYCKCX-FQEVSTJZSA-N 1 0 453.429 3.174 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001305293782 1068498352 /nfs/dbraw/zinc/49/83/52/1068498352.db2.gz LFRZZESGKSWSPI-QHCPKHFHSA-N 1 0 495.455 3.157 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCCC1(C)C ZINC001303865957 1068502986 /nfs/dbraw/zinc/50/29/86/1068502986.db2.gz WTXYDHWBPFGSFZ-RBUKOAKNSA-N 1 0 468.712 3.273 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001305297559 1068505108 /nfs/dbraw/zinc/50/51/08/1068505108.db2.gz WGWDDNHCMUAYHN-HXOBKFHXSA-N 1 0 466.001 3.447 20 0 JGADRO C[NH+](C)CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1cccnc1 ZINC001303873848 1068508708 /nfs/dbraw/zinc/50/87/08/1068508708.db2.gz JFLQACYQWKCGBA-JOCHJYFZSA-N 1 0 456.543 3.444 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCC[N@H+](C)Cc1ccccc1 ZINC001303877223 1068511664 /nfs/dbraw/zinc/51/16/64/1068511664.db2.gz LTDUXRJFGAWIIC-ZYKOEDHHSA-N 1 0 474.675 3.179 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001305303649 1068512786 /nfs/dbraw/zinc/51/27/86/1068512786.db2.gz ZNEORHFHDVEODD-OSPHWJPCSA-N 1 0 479.572 3.397 20 0 JGADRO C[C@](O)(C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303878649 1068513424 /nfs/dbraw/zinc/51/34/24/1068513424.db2.gz FBXSFMRALRYBNG-GCJKJVERSA-N 1 0 486.583 3.025 20 0 JGADRO CC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305307338 1068515301 /nfs/dbraw/zinc/51/53/01/1068515301.db2.gz LKJPMUHGXGJOFR-BVFVYWQFSA-N 1 0 490.643 3.303 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305316868 1068532019 /nfs/dbraw/zinc/53/20/19/1068532019.db2.gz XXBUYRFWGGLFTK-UQBPGWFLSA-N 1 0 471.650 3.281 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303896216 1068535465 /nfs/dbraw/zinc/53/54/65/1068535465.db2.gz YPQJREBUTOABOX-ZWKOTPCHSA-N 1 0 458.582 3.133 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCC(C)(C)O ZINC001303897561 1068538573 /nfs/dbraw/zinc/53/85/73/1068538573.db2.gz KVHWLRSCLMGWKG-WOJBJXKFSA-N 1 0 475.609 3.267 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001305321707 1068539650 /nfs/dbraw/zinc/53/96/50/1068539650.db2.gz ZQWVBBALXBIEEJ-NNPDTBDGSA-N 1 0 457.619 3.434 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001303899954 1068542542 /nfs/dbraw/zinc/54/25/42/1068542542.db2.gz XMFMBQKLAIIGMS-HXUWFJFHSA-N 1 0 487.624 3.235 20 0 JGADRO C[C@@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303899808 1068542661 /nfs/dbraw/zinc/54/26/61/1068542661.db2.gz QJGSRAUUWZRIJV-IPJJNNNSSA-N 1 0 493.649 3.445 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001303899947 1068542841 /nfs/dbraw/zinc/54/28/41/1068542841.db2.gz XJYSCMUCMITEMB-IPJJNNNSSA-N 1 0 493.649 3.445 20 0 JGADRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Nc2cccnn2)CC1)[NH+](C)C ZINC001303900299 1068543750 /nfs/dbraw/zinc/54/37/50/1068543750.db2.gz RQEDHLAFYWSAFO-ROUUACIJSA-N 1 0 468.581 3.378 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303901992 1068545480 /nfs/dbraw/zinc/54/54/80/1068545480.db2.gz WBNLDJKMWQWVGP-KRWDZBQOSA-N 1 0 466.552 3.429 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCC(=O)N(C)C ZINC001303902737 1068546619 /nfs/dbraw/zinc/54/66/19/1068546619.db2.gz XVXMXLVPLXVTOG-QUCCMNQESA-N 1 0 458.582 3.100 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001303904066 1068547954 /nfs/dbraw/zinc/54/79/54/1068547954.db2.gz VNMWOSKINIWBIO-XXBNENTESA-N 1 0 475.609 3.265 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001303903984 1068548025 /nfs/dbraw/zinc/54/80/25/1068548025.db2.gz VJJLCHWOZBJXHG-RTBURBONSA-N 1 0 475.609 3.408 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001303904288 1068548728 /nfs/dbraw/zinc/54/87/28/1068548728.db2.gz WEUZIAYKRLIXDA-CLOONOSVSA-N 1 0 485.608 3.383 20 0 JGADRO C[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001303905818 1068551192 /nfs/dbraw/zinc/55/11/92/1068551192.db2.gz WXROHXPCMBEDQG-HZPDHXFCSA-N 1 0 451.015 3.373 20 0 JGADRO CC[C@@H](C)[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001305329272 1068553783 /nfs/dbraw/zinc/55/37/83/1068553783.db2.gz OJXWOFJHIXPDCU-RLWLMLJZSA-N 1 0 484.693 3.027 20 0 JGADRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001305329526 1068554411 /nfs/dbraw/zinc/55/44/11/1068554411.db2.gz HGCJJJGSVFRBCW-CJAUYULYSA-N 1 0 467.618 3.312 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCS(C)(=O)=O ZINC001303908946 1068555858 /nfs/dbraw/zinc/55/58/58/1068555858.db2.gz HCGWZIYTRCNHAU-JENIJYKNSA-N 1 0 482.050 3.179 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001303909609 1068557303 /nfs/dbraw/zinc/55/73/03/1068557303.db2.gz KDUHEYLZXBUFSL-QGZVFWFLSA-N 1 0 486.020 3.068 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001305331037 1068557781 /nfs/dbraw/zinc/55/77/81/1068557781.db2.gz UMBAXYQAFDDCCJ-OBTVHEKISA-N 1 0 484.689 3.228 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303910252 1068557935 /nfs/dbraw/zinc/55/79/35/1068557935.db2.gz FNKWBHOAAUCKEO-GUXCAODWSA-N 1 0 461.010 3.079 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H](C1CC1)[NH+](C)C ZINC001303910255 1068558030 /nfs/dbraw/zinc/55/80/30/1068558030.db2.gz FNKWBHOAAUCKEO-TWOQFEAHSA-N 1 0 461.010 3.079 20 0 JGADRO CC[C@@H](C)[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001305331545 1068558948 /nfs/dbraw/zinc/55/89/48/1068558948.db2.gz DJRYGHHVRNZPRT-HXOBKFHXSA-N 1 0 462.664 3.034 20 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1068958586 /nfs/dbraw/zinc/95/85/86/1068958586.db2.gz DQLUMDOUSCKGGV-XLIONFOSSA-N 1 0 459.664 3.003 20 0 JGADRO CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001305641246 1068959108 /nfs/dbraw/zinc/95/91/08/1068959108.db2.gz KMQJIJGUJFSWBQ-QFIPXVFZSA-N 1 0 498.672 3.080 20 0 JGADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001305643518 1068965686 /nfs/dbraw/zinc/96/56/86/1068965686.db2.gz LNKIIKJJHIKQLG-FCHUYYIVSA-N 1 0 485.677 3.258 20 0 JGADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001305643432 1068965837 /nfs/dbraw/zinc/96/58/37/1068965837.db2.gz KWTOSTKSTHIYCG-GMAHTHKFSA-N 1 0 469.678 3.050 20 0 JGADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001305643535 1068966314 /nfs/dbraw/zinc/96/63/14/1068966314.db2.gz HXRAAXVKKQVKTI-IAGOWNOFSA-N 1 0 496.487 3.239 20 0 JGADRO CC[C@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001305643721 1068966914 /nfs/dbraw/zinc/96/69/14/1068966914.db2.gz NYKJJHNSKIRCIB-VQTJNVASSA-N 1 0 451.619 3.116 20 0 JGADRO CC[C@@H](C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001305643724 1068967082 /nfs/dbraw/zinc/96/70/82/1068967082.db2.gz NYKJJHNSKIRCIB-WOJBJXKFSA-N 1 0 451.619 3.116 20 0 JGADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001305644819 1068970895 /nfs/dbraw/zinc/97/08/95/1068970895.db2.gz IIVRLNDXXYCCLP-QPPBQGQZSA-N 1 0 499.679 3.241 20 0 JGADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC001305644852 1068971040 /nfs/dbraw/zinc/97/10/40/1068971040.db2.gz PNMMDZRAKSUDTR-UPVQGACJSA-N 1 0 495.716 3.449 20 0 JGADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001305645387 1068972098 /nfs/dbraw/zinc/97/20/98/1068972098.db2.gz NWHYJWMJCSDIQW-UXWDXCIHSA-N 1 0 495.716 3.492 20 0 JGADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001305648020 1068980673 /nfs/dbraw/zinc/98/06/73/1068980673.db2.gz GSTITQUGYOXVST-QHCPKHFHSA-N 1 0 495.716 3.088 20 0 JGADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001305651410 1068989031 /nfs/dbraw/zinc/98/90/31/1068989031.db2.gz ZNVDGTMPHFXWIW-YADHBBJMSA-N 1 0 475.726 3.168 20 0 JGADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC001305660113 1069000783 /nfs/dbraw/zinc/00/07/83/1069000783.db2.gz KOARAYZHWLTXAA-RUZDIDTESA-N 1 0 495.716 3.056 20 0 JGADRO CC[C@@H](c1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001305663553 1069004991 /nfs/dbraw/zinc/00/49/91/1069004991.db2.gz YHRQFOMLKHWXHM-QPTUXGOLSA-N 1 0 485.673 3.295 20 0 JGADRO CC[C@H](c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H](F)COC)c1ccccc1 ZINC001305672351 1069019927 /nfs/dbraw/zinc/01/99/27/1069019927.db2.gz USTCKRFAEJMZQH-GOTSBHOMSA-N 1 0 469.609 3.250 20 0 JGADRO CC[C@@H](c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1C[C@]1(O)CCC[C@@H]1C)c1ccccc1 ZINC001305672866 1069021644 /nfs/dbraw/zinc/02/16/44/1069021644.db2.gz NXYWFXPBQALFNZ-ZQIDGUAPSA-N 1 0 496.700 3.362 20 0 JGADRO CC[C@@H](c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1C[C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC001305673051 1069021997 /nfs/dbraw/zinc/02/19/97/1069021997.db2.gz PJUVMUCVGSJKQV-ICDZXHCJSA-N 1 0 496.700 3.362 20 0 JGADRO CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CC(=O)NCc1ccco1)c1ccccc1 ZINC001305674806 1069026421 /nfs/dbraw/zinc/02/64/21/1069026421.db2.gz KNHCKYYPBKVGDZ-JOCHJYFZSA-N 1 0 450.587 3.260 20 0 JGADRO CC[C@H](c1nnc(N2CCN(CCOC)CC2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001305676210 1069029171 /nfs/dbraw/zinc/02/91/71/1069029171.db2.gz GDZFVBFRLOYCKB-DHLKQENFSA-N 1 0 472.703 3.026 20 0 JGADRO CC[C@@H](c1nnc(N2CCC[C@H](OC)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001305676586 1069030469 /nfs/dbraw/zinc/03/04/69/1069030469.db2.gz SSBQUNMAERYLAB-YFNKSVMNSA-N 1 0 454.663 3.461 20 0 JGADRO CC[C@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001305676609 1069030918 /nfs/dbraw/zinc/03/09/18/1069030918.db2.gz HKMLLUHKNCNASY-AEFFLSMTSA-N 1 0 452.525 3.029 20 0 JGADRO CCC(CC)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)SC ZINC001305689257 1069053461 /nfs/dbraw/zinc/05/34/61/1069053461.db2.gz RPBUDQRQXABXFZ-IBGZPJMESA-N 1 0 487.674 3.006 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)[NH+](C)C ZINC001305702258 1069084015 /nfs/dbraw/zinc/08/40/15/1069084015.db2.gz AKVWJVRGLKBUSE-YADHBBJMSA-N 1 0 477.053 3.306 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001305703253 1069086209 /nfs/dbraw/zinc/08/62/09/1069086209.db2.gz GPVZCVMLRSMQGD-IBGZPJMESA-N 1 0 477.451 3.319 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC001305703853 1069088816 /nfs/dbraw/zinc/08/88/16/1069088816.db2.gz BSCOMGJUIFCXBH-YADHBBJMSA-N 1 0 474.625 3.500 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001305703877 1069088863 /nfs/dbraw/zinc/08/88/63/1069088863.db2.gz CGUOGAMQGCZRQX-PMACEKPBSA-N 1 0 489.690 3.223 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001305703879 1069088868 /nfs/dbraw/zinc/08/88/68/1069088868.db2.gz CGUOGAMQGCZRQX-UXHICEINSA-N 1 0 489.690 3.223 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCN(CC)C2=O)CC1)[NH+](C)C ZINC001305704240 1069089573 /nfs/dbraw/zinc/08/95/73/1069089573.db2.gz DHICIZWMUVLYLB-JOCHJYFZSA-N 1 0 470.666 3.366 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001305704976 1069092421 /nfs/dbraw/zinc/09/24/21/1069092421.db2.gz HJADPBSHHWHJQS-FCHUYYIVSA-N 1 0 453.635 3.298 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1)[NH+](C)C ZINC001305705058 1069093026 /nfs/dbraw/zinc/09/30/26/1069093026.db2.gz IKUBJIBERXFKPX-HOFKKMOUSA-N 1 0 482.673 3.461 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC001305706573 1069095767 /nfs/dbraw/zinc/09/57/67/1069095767.db2.gz NLHWTWPATCIOQX-FQEVSTJZSA-N 1 0 461.680 3.147 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001305706771 1069096420 /nfs/dbraw/zinc/09/64/20/1069096420.db2.gz CPFZQWWWBDPHOK-NRFANRHFSA-N 1 0 477.053 3.339 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(OC)C1)[NH+](C)C ZINC001305706884 1069096809 /nfs/dbraw/zinc/09/68/09/1069096809.db2.gz CWAMCEDGXQTGIK-WIOPSUGQSA-N 1 0 481.649 3.293 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(OC)C1)[NH+](C)C ZINC001305706883 1069096991 /nfs/dbraw/zinc/09/69/91/1069096991.db2.gz CWAMCEDGXQTGIK-RDGATRHJSA-N 1 0 481.649 3.293 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)[NH+](C)C ZINC001305706887 1069097090 /nfs/dbraw/zinc/09/70/90/1069097090.db2.gz CXNDZISPYOCGKL-FDDCHVKYSA-N 1 0 476.025 3.391 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001305707149 1069097354 /nfs/dbraw/zinc/09/73/54/1069097354.db2.gz QLJFGJRHUBXDBX-PMACEKPBSA-N 1 0 466.671 3.498 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001305707050 1069097410 /nfs/dbraw/zinc/09/74/10/1069097410.db2.gz XXGJHFVZORIKMA-LAUBAEHRSA-N 1 0 497.109 3.435 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCc2cc(OC)c(OC)cc2C1)[NH+]1CCOCC1 ZINC001305706970 1069097525 /nfs/dbraw/zinc/09/75/25/1069097525.db2.gz WSMCJFDXKTYBRW-JOCHJYFZSA-N 1 0 457.619 3.303 20 0 JGADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCc2cc(OC)c(OC)cc2C1)[NH+]1CCOCC1 ZINC001305706971 1069097552 /nfs/dbraw/zinc/09/75/52/1069097552.db2.gz WSMCJFDXKTYBRW-QFIPXVFZSA-N 1 0 457.619 3.303 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001305707774 1069098634 /nfs/dbraw/zinc/09/86/34/1069098634.db2.gz GEAKQDSJTIRIQD-PXDATVDWSA-N 1 0 489.686 3.335 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)[NH+](C)C ZINC001305708018 1069099578 /nfs/dbraw/zinc/09/95/78/1069099578.db2.gz SJONXIAPIYNSTL-KNQAVFIVSA-N 1 0 455.651 3.400 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001305708139 1069099849 /nfs/dbraw/zinc/09/98/49/1069099849.db2.gz SVEBHQUOOPHGMH-NRFANRHFSA-N 1 0 497.610 3.105 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1)[NH+](C)C ZINC001305708161 1069099930 /nfs/dbraw/zinc/09/99/30/1069099930.db2.gz TVYINVJPNHLUNQ-QFIPXVFZSA-N 1 0 468.650 3.091 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC001305708022 1069099940 /nfs/dbraw/zinc/09/99/40/1069099940.db2.gz SJONXIAPIYNSTL-UGKGYDQZSA-N 1 0 455.651 3.400 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001305708143 1069100042 /nfs/dbraw/zinc/10/00/42/1069100042.db2.gz SVEBHQUOOPHGMH-OAQYLSRUSA-N 1 0 497.610 3.105 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001305708459 1069100484 /nfs/dbraw/zinc/10/04/84/1069100484.db2.gz VZDSAKABLFYFET-GHTZIAJQSA-N 1 0 488.681 3.491 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(C)=O)CC1)[NH+](C)C ZINC001305708522 1069101229 /nfs/dbraw/zinc/10/12/29/1069101229.db2.gz KGRKAMZWADLJLA-NRFANRHFSA-N 1 0 470.618 3.145 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001305708830 1069101990 /nfs/dbraw/zinc/10/19/90/1069101990.db2.gz ZABJGSUIWUTTIL-FPOVZHCZSA-N 1 0 479.633 3.019 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)[NH+](C)C ZINC001305708672 1069102012 /nfs/dbraw/zinc/10/20/12/1069102012.db2.gz XLVSJNJAOCPITQ-GMAHTHKFSA-N 1 0 468.650 3.060 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)OC)CC1)[NH+](C)C ZINC001305709679 1069104837 /nfs/dbraw/zinc/10/48/37/1069104837.db2.gz QYDVRNZSJYTQMY-FQEVSTJZSA-N 1 0 471.602 3.430 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@@H](OC)C1)[NH+](C)C ZINC001305709800 1069105574 /nfs/dbraw/zinc/10/55/74/1069105574.db2.gz GJMIJYADZDTSPM-DENIHFKCSA-N 1 0 481.645 3.266 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](COC)C1)[NH+](C)C ZINC001305709919 1069106052 /nfs/dbraw/zinc/10/60/52/1069106052.db2.gz RZLNJGCQZWLUQR-MOPGFXCFSA-N 1 0 451.015 3.212 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnccn2)CC1)[NH+](C)C ZINC001305709925 1069106058 /nfs/dbraw/zinc/10/60/58/1069106058.db2.gz CCSBGLYBZKYJBT-NRFANRHFSA-N 1 0 483.690 3.117 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1)[NH+](C)C ZINC001305709923 1069106201 /nfs/dbraw/zinc/10/62/01/1069106201.db2.gz CCQAMBUSBQDZOW-YADHBBJMSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](OC)C(C)(C)C1)[NH+](C)C ZINC001305710259 1069107289 /nfs/dbraw/zinc/10/72/89/1069107289.db2.gz IOGSSKZFUXBQFB-ICSRJNTNSA-N 1 0 460.623 3.233 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001305710346 1069107319 /nfs/dbraw/zinc/10/73/19/1069107319.db2.gz VAVAFZRAXCRWAY-GJZUVCINSA-N 1 0 468.646 3.092 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001305710481 1069107756 /nfs/dbraw/zinc/10/77/56/1069107756.db2.gz HNZYMFNXALTQTI-VABKMULXSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)[NH+](C)C ZINC001305710367 1069107771 /nfs/dbraw/zinc/10/77/71/1069107771.db2.gz VLQLBMRWIIHWPJ-TYPHKJRUSA-N 1 0 457.575 3.434 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1)[NH+](C)C ZINC001305710746 1069108373 /nfs/dbraw/zinc/10/83/73/1069108373.db2.gz ISDXKDHESAVEOS-RDGATRHJSA-N 1 0 459.610 3.370 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1)[NH+](C)C ZINC001305710745 1069108435 /nfs/dbraw/zinc/10/84/35/1069108435.db2.gz ISDXKDHESAVEOS-RCZVLFRGSA-N 1 0 459.610 3.370 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC2(COC(=O)N2)CC1)[NH+](C)C ZINC001305710979 1069109482 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/nfs/dbraw/zinc/11/23/06/1069112306.db2.gz PAWWWYHKIIHJGT-ZRBLBEILSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC1CCOCC1)[NH+]1CCOCC1 ZINC001305712414 1069112329 /nfs/dbraw/zinc/11/23/29/1069112329.db2.gz GILPHDUVXCMYFY-GOTSBHOMSA-N 1 0 463.667 3.172 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001305713161 1069114726 /nfs/dbraw/zinc/11/47/26/1069114726.db2.gz WZXUPCPGMKANDB-QFBILLFUSA-N 1 0 460.623 3.376 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001305713496 1069115991 /nfs/dbraw/zinc/11/59/91/1069115991.db2.gz JFTQKHDQJRWGTK-HSALFYBXSA-N 1 0 475.638 3.233 20 0 JGADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+](C)C ZINC001305713405 1069116016 /nfs/dbraw/zinc/11/60/16/1069116016.db2.gz VXBIEWXNFWANJG-XZOQPEGZSA-N 1 0 474.694 3.205 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+](C)C ZINC001305713792 1069116377 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1069181312 /nfs/dbraw/zinc/18/13/12/1069181312.db2.gz OCXJTWQIQXOQPX-JKYVINEHSA-N 1 0 490.693 3.090 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001305744662 1069184406 /nfs/dbraw/zinc/18/44/06/1069184406.db2.gz XCQIBSXRWGXMGW-RTWAWAEBSA-N 1 0 474.625 3.500 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001305744914 1069184966 /nfs/dbraw/zinc/18/49/66/1069184966.db2.gz YNJOTYVWVURNAR-HXUWFJFHSA-N 1 0 490.693 3.235 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305745655 1069186779 /nfs/dbraw/zinc/18/67/79/1069186779.db2.gz UMXSZVBNKRIDCJ-FNZWTVRRSA-N 1 0 490.693 3.093 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H]2CC)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001305748418 1069192843 /nfs/dbraw/zinc/19/28/43/1069192843.db2.gz HXMUQSDOMYYTBZ-TZIWHRDSSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3nc(C)no3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305749925 1069194877 /nfs/dbraw/zinc/19/48/77/1069194877.db2.gz CRYBCKFSTMWVPN-UHFFFAOYSA-N 1 0 486.665 3.394 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001305751319 1069197452 /nfs/dbraw/zinc/19/74/52/1069197452.db2.gz NUOGCMCNMUODMI-QHCPKHFHSA-N 1 0 484.693 3.434 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305753002 1069201477 /nfs/dbraw/zinc/20/14/77/1069201477.db2.gz VTIQAXIWZHHPDC-HBMCJLEFSA-N 1 0 484.693 3.292 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CC[NH+]1CCCC1 ZINC001305752985 1069201516 /nfs/dbraw/zinc/20/15/16/1069201516.db2.gz VHFSFVVAZVJWQB-IBGZPJMESA-N 1 0 454.619 3.295 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001305753001 1069201540 /nfs/dbraw/zinc/20/15/40/1069201540.db2.gz VTIQAXIWZHHPDC-ACRUOGEOSA-N 1 0 484.693 3.292 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001305753213 1069202166 /nfs/dbraw/zinc/20/21/66/1069202166.db2.gz UIVVVYQQTBMQBQ-HKBOAZHASA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@](C)(O)c1ccsc1 ZINC001305753688 1069203046 /nfs/dbraw/zinc/20/30/46/1069203046.db2.gz CCYDOYKWKUSUOP-CLOONOSVSA-N 1 0 488.702 3.478 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3nnc4n3CCCC4)CC2)n1CC(C)(C)C[NH+](C)C ZINC001305753798 1069203503 /nfs/dbraw/zinc/20/35/03/1069203503.db2.gz XIPMBTJKTFKXFX-UHFFFAOYSA-N 1 0 499.708 3.096 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001305754355 1069204537 /nfs/dbraw/zinc/20/45/37/1069204537.db2.gz FZCNABTWKTYLFK-IBVKSMDESA-N 1 0 474.694 3.450 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@H]1CCCOC1 ZINC001305754981 1069206292 /nfs/dbraw/zinc/20/62/92/1069206292.db2.gz IMRQQKSXWONDBA-GGAORHGYSA-N 1 0 468.646 3.334 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCc1csc(C)n1 ZINC001305756374 1069210486 /nfs/dbraw/zinc/21/04/86/1069210486.db2.gz GSUTURYLEVMOPW-HXUWFJFHSA-N 1 0 459.664 3.269 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001305757768 1069215410 /nfs/dbraw/zinc/21/54/10/1069215410.db2.gz DPXXYADYSRSMNA-NRFANRHFSA-N 1 0 483.661 3.371 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001305758234 1069216396 /nfs/dbraw/zinc/21/63/96/1069216396.db2.gz JFJFVPJABWTDGF-HXUWFJFHSA-N 1 0 469.634 3.124 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001305758659 1069218600 /nfs/dbraw/zinc/21/86/00/1069218600.db2.gz LDGQPCOZZLPYIT-GOSISDBHSA-N 1 0 493.697 3.419 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C2)CCCOC3)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305759222 1069220616 /nfs/dbraw/zinc/22/06/16/1069220616.db2.gz CAJIGISCBLFNSI-NLFFAJNJSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305761216 1069227259 /nfs/dbraw/zinc/22/72/59/1069227259.db2.gz IQKHKKMXGLYLIP-UHFFFAOYSA-N 1 0 498.672 3.354 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCN(Cc4ccccc4)[C@@H]32)n1C[C@@H](C)[NH+](C)C ZINC001305765077 1069235264 /nfs/dbraw/zinc/23/52/64/1069235264.db2.gz SBPVXGNVHDMKKX-FZOAFFARSA-N 1 0 467.662 3.205 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001305765671 1069236927 /nfs/dbraw/zinc/23/69/27/1069236927.db2.gz WPUSLVIKGCGAJQ-JTHBVZDNSA-N 1 0 496.656 3.251 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@]1(O)CCSC1 ZINC001305766905 1069238214 /nfs/dbraw/zinc/23/82/14/1069238214.db2.gz AXWKZWBOHUCTOY-UMEGOILYSA-N 1 0 492.734 3.155 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1CCC[NH+]1CCCCC1 ZINC001305768411 1069241798 /nfs/dbraw/zinc/24/17/98/1069241798.db2.gz BHTSXUGNTBSIDH-QFIPXVFZSA-N 1 0 470.666 3.419 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(C)o2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305768577 1069242360 /nfs/dbraw/zinc/24/23/60/1069242360.db2.gz CYLOEVNYXQPIOK-NRFANRHFSA-N 1 0 485.677 3.465 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001305769620 1069245115 /nfs/dbraw/zinc/24/51/15/1069245115.db2.gz ILMWFCJWUJFKHY-AUSIDOKSSA-N 1 0 499.708 3.368 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001305772769 1069251531 /nfs/dbraw/zinc/25/15/31/1069251531.db2.gz UZAUNAYTDSBORC-OAQYLSRUSA-N 1 0 499.708 3.196 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305774540 1069255761 /nfs/dbraw/zinc/25/57/61/1069255761.db2.gz WGHHYJHNQYESLY-NRFANRHFSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305775055 1069257157 /nfs/dbraw/zinc/25/71/57/1069257157.db2.gz IVACRQFVURIYMF-DEOSSOPVSA-N 1 0 495.716 3.434 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCCc1cnn(C)c1 ZINC001305776580 1069260325 /nfs/dbraw/zinc/26/03/25/1069260325.db2.gz OIHOFDGORJCFOO-UHFFFAOYSA-N 1 0 470.666 3.018 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[C@@](C)(O)c1ccccc1 ZINC001305777248 1069262829 /nfs/dbraw/zinc/26/28/29/1069262829.db2.gz XGHGUZBONBUQHD-AREMUKBSSA-N 1 0 470.662 3.415 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1Cc2ccccc2O1 ZINC001305777388 1069263283 /nfs/dbraw/zinc/26/32/83/1069263283.db2.gz YJQPPNDMJIGWIT-OAQYLSRUSA-N 1 0 454.619 3.121 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305777907 1069264274 /nfs/dbraw/zinc/26/42/74/1069264274.db2.gz VVIBSDDPTFQFFT-NQIIRXRSSA-N 1 0 460.667 3.465 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(-n2ccnc2)c(F)c1 ZINC001305778721 1069266628 /nfs/dbraw/zinc/26/66/28/1069266628.db2.gz IRIRROZRZAMPLH-UHFFFAOYSA-N 1 0 482.608 3.100 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1cccc(Cn2cccn2)c1 ZINC001305778724 1069266820 /nfs/dbraw/zinc/26/68/20/1069266820.db2.gz IWOKMWKWCMQCAD-UHFFFAOYSA-N 1 0 478.645 3.020 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1C[C@H](C)[NH+](C)C ZINC001305783124 1069276294 /nfs/dbraw/zinc/27/62/94/1069276294.db2.gz ICZKNJFUTRBDLC-FQEVSTJZSA-N 1 0 455.651 3.090 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001305783173 1069276374 /nfs/dbraw/zinc/27/63/74/1069276374.db2.gz IOXUSHADWYLJNP-SFHVURJKSA-N 1 0 471.625 3.145 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001305784535 1069280826 /nfs/dbraw/zinc/28/08/26/1069280826.db2.gz WQZFPNHPJNQLJM-OAQYLSRUSA-N 1 0 467.662 3.316 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001305785169 1069284569 /nfs/dbraw/zinc/28/45/69/1069284569.db2.gz IKTKVERWAHXQFJ-HXUWFJFHSA-N 1 0 468.646 3.301 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001305785794 1069287711 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/nfs/dbraw/zinc/30/38/03/1069303803.db2.gz JSCBQDIUHWPARC-NTKDMRAZSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCC3)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001305791760 1069304586 /nfs/dbraw/zinc/30/45/86/1069304586.db2.gz MAWJFCCWMSQVQI-HXUWFJFHSA-N 1 0 460.667 3.468 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001305792709 1069306749 /nfs/dbraw/zinc/30/67/49/1069306749.db2.gz VDRYUFOSUGMPFO-FQEVSTJZSA-N 1 0 496.578 3.464 20 0 JGADRO c1sc2nc(CN3CCOCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164410111 718863730 /nfs/dbraw/zinc/86/37/30/718863730.db2.gz WYADUYNYIKIYNY-TZIWHRDSSA-N 1 0 465.623 3.005 20 0 JGADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416152 718885110 /nfs/dbraw/zinc/88/51/10/718885110.db2.gz SPVVWBKXHWKPNL-UHFFFAOYSA-N 1 0 456.284 3.052 20 0 JGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4Cc5ncnn5C5(CC[NH2+]CC5)C4)c23)C1 ZINC001164414958 718885744 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Cn1nnc2c1CCN(c1nc(-c3ccccn3)nc3sccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713831 720202623 /nfs/dbraw/zinc/20/26/23/720202623.db2.gz FAAVWHVFAYGDJB-HXUWFJFHSA-N 1 0 476.610 3.098 20 0 JGADRO Cn1nnc2c1CCN(c1nc3c(Cl)cccc3nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717129 720204071 /nfs/dbraw/zinc/20/40/71/720204071.db2.gz SKKGFAZLWKDNGY-QGZVFWFLSA-N 1 0 462.385 3.281 20 0 JGADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cnc1Cl ZINC001164812803 720205110 /nfs/dbraw/zinc/20/51/10/720205110.db2.gz MHPXDTUWPUPJGK-PXNSSMCTSA-N 1 0 478.005 3.258 20 0 JGADRO COc1cccc(Oc2cncc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)n2)c1 ZINC001164814475 720230503 /nfs/dbraw/zinc/23/05/03/720230503.db2.gz UMSXVKYAOOAKIK-UHFFFAOYSA-N 1 0 450.543 3.085 20 0 JGADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164814549 720234528 /nfs/dbraw/zinc/23/45/28/720234528.db2.gz XWHDBDQPIAFNAT-UHFFFAOYSA-N 1 0 484.988 3.267 20 0 JGADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825916 720295334 /nfs/dbraw/zinc/29/53/34/720295334.db2.gz UKGBLKZPMUTFNW-LSDHHAIUSA-N 1 0 459.994 3.308 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C(=O)N3CCCCC3)cc(Cl)n2)CC1 ZINC001164828235 720302903 /nfs/dbraw/zinc/30/29/03/720302903.db2.gz ZFNBEDYYEUZZPM-NHCUHLMSSA-N 1 0 474.049 3.273 20 0 JGADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1Cl ZINC001164819236 720305363 /nfs/dbraw/zinc/30/53/63/720305363.db2.gz CYMGRHUPFLJBQJ-DLBZAZTESA-N 1 0 469.413 3.477 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2ncn3Cc2ccccc2)CC1 ZINC001164823201 720307094 /nfs/dbraw/zinc/30/70/94/720307094.db2.gz PJKBKRASUYHQSQ-SFTDATJTSA-N 1 0 494.043 3.440 20 0 JGADRO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC ZINC001164824503 720310428 /nfs/dbraw/zinc/31/04/28/720310428.db2.gz RGPYEOSWJOHYPE-RBUKOAKNSA-N 1 0 474.005 3.212 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)CC1 ZINC001164830882 720316926 /nfs/dbraw/zinc/31/69/26/720316926.db2.gz QHJHMUITOJESLE-WSTZPKSXSA-N 1 0 488.036 3.090 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)CC1 ZINC001164830880 720317320 /nfs/dbraw/zinc/31/73/20/720317320.db2.gz QHJHMUITOJESLE-HBFSDRIKSA-N 1 0 488.036 3.090 20 0 JGADRO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1OC ZINC001164831436 720320252 /nfs/dbraw/zinc/32/02/52/720320252.db2.gz SADCCXXQTZJGET-RTBURBONSA-N 1 0 474.005 3.212 20 0 JGADRO CCOC(=O)c1cc2c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH]c(C)c(C)c-2n1 ZINC001164831953 720325787 /nfs/dbraw/zinc/32/57/87/720325787.db2.gz SKFXPQNPMJNYBQ-VXKWHMMOSA-N 1 0 467.614 3.268 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc(Oc3ccc(F)cc3)n2)CC1 ZINC001164824719 720326814 /nfs/dbraw/zinc/32/68/14/720326814.db2.gz CUYUTTKYODIGLD-RTBURBONSA-N 1 0 474.968 3.368 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc3c(Cl)ncnc3c2)CC1 ZINC001164824629 720333121 /nfs/dbraw/zinc/33/31/21/720333121.db2.gz CNGXYSRBRHTNEA-QZTJIDSGSA-N 1 0 464.948 3.135 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)CC1 ZINC001164826227 720335596 /nfs/dbraw/zinc/33/55/96/720335596.db2.gz FTTGXFLGQITHRY-RBUKOAKNSA-N 1 0 483.617 3.216 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)CC1 ZINC001164826229 720335614 /nfs/dbraw/zinc/33/56/14/720335614.db2.gz FTTGXFLGQITHRY-RTBURBONSA-N 1 0 483.617 3.216 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(C3CC3)nnc2Cl)CC1 ZINC001164828845 720340674 /nfs/dbraw/zinc/34/06/74/720340674.db2.gz QHTOADMIGJFEKU-OALUTQOASA-N 1 0 453.965 3.464 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC001164827809 720341390 /nfs/dbraw/zinc/34/13/90/720341390.db2.gz MSAZIAOTSIYVSU-FCHUYYIVSA-N 1 0 474.049 3.273 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC001164825723 720343064 /nfs/dbraw/zinc/34/30/64/720343064.db2.gz JMPWWPWYWHPVTC-CVEARBPZSA-N 1 0 452.937 3.068 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC001164825726 720343193 /nfs/dbraw/zinc/34/31/93/720343193.db2.gz JMPWWPWYWHPVTC-HOTGVXAUSA-N 1 0 452.937 3.068 20 0 JGADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c(OC)c1 ZINC001164827974 720345717 /nfs/dbraw/zinc/34/57/17/720345717.db2.gz NOFWFMSPZQCWMB-DHIUTWEWSA-N 1 0 465.598 3.072 20 0 JGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164732431 720422827 /nfs/dbraw/zinc/42/28/27/720422827.db2.gz NIIALYDNFZXJRG-BQJUDKOJSA-N 1 0 497.594 3.474 20 0 JGADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164827234 720426840 /nfs/dbraw/zinc/42/68/40/720426840.db2.gz RYAWTZPWEHQORD-HLIPFELVSA-N 1 0 468.976 3.270 20 0 JGADRO Fc1ccccc1N1CCN(c2cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)ncn2)CC1 ZINC001164732830 720449957 /nfs/dbraw/zinc/44/99/57/720449957.db2.gz OMCQHHCSCAPRSP-ZEQRLZLVSA-N 1 0 459.573 3.191 20 0 JGADRO Fc1ccccc1N1CCN(c2cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)ncn2)CC1 ZINC001164732828 720451115 /nfs/dbraw/zinc/45/11/15/720451115.db2.gz OMCQHHCSCAPRSP-DNQXCXABSA-N 1 0 459.573 3.191 20 0 JGADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1[nH+]ccc3c1ccn3Cc1ccccc1)C2 ZINC001164828742 720459081 /nfs/dbraw/zinc/45/90/81/720459081.db2.gz AIHFSJNGJVHBAI-HSZRJFAPSA-N 1 0 486.620 3.271 20 0 JGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)C1 ZINC001164732744 720508169 /nfs/dbraw/zinc/50/81/69/720508169.db2.gz WJRGECPPYGBNSU-LJQANCHMSA-N 1 0 497.582 3.422 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164836511 720510187 /nfs/dbraw/zinc/51/01/87/720510187.db2.gz MULZJYFVQGFLBQ-JFIYKMOQSA-N 1 0 482.963 3.426 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1Cl ZINC001164839388 720510878 /nfs/dbraw/zinc/51/08/78/720510878.db2.gz TVMQKIQRUDHAMF-SOLBZPMBSA-N 1 0 482.963 3.426 20 0 JGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)c(F)cc2C(=O)NCc2cccs2)C1 ZINC001164730001 720519085 /nfs/dbraw/zinc/51/90/85/720519085.db2.gz PMLJIEBVXXVAFI-CQSZACIVSA-N 1 0 462.982 3.260 20 0 JGADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733444 720558168 /nfs/dbraw/zinc/55/81/68/720558168.db2.gz NGXPTGLJOZXOJP-UHFFFAOYSA-N 1 0 462.989 3.383 20 0 JGADRO Cc1cc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc(N3CCOCC3)c2s1 ZINC001164839684 720563184 /nfs/dbraw/zinc/56/31/84/720563184.db2.gz RJVNEWKKMBAGKO-TUNNFDKTSA-N 1 0 481.670 3.411 20 0 JGADRO COc1ccc(Cn2cc3[nH]c(N4CCc5ncc(C[NH+]6CCCC6)n5CC4)ccc-3c2=O)cc1 ZINC001164736548 720578008 /nfs/dbraw/zinc/57/80/08/720578008.db2.gz NFBFFQOBHOHVDM-UHFFFAOYSA-N 1 0 472.593 3.101 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838746 720585558 /nfs/dbraw/zinc/58/55/58/720585558.db2.gz LKZXVJIWBRBOOW-ZRCGQRJVSA-N 1 0 496.637 3.247 20 0 JGADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164746841 720596015 /nfs/dbraw/zinc/59/60/15/720596015.db2.gz YFRWRJHHQFOBOS-UHFFFAOYSA-N 1 0 454.909 3.227 20 0 JGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@@H]21 ZINC001164844149 720608144 /nfs/dbraw/zinc/60/81/44/720608144.db2.gz ZCICWALFWVJHLE-KKUMJFAQSA-N 1 0 450.925 3.077 20 0 JGADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164838255 720611711 /nfs/dbraw/zinc/61/17/11/720611711.db2.gz KJRAKAZYWIURQE-JAXLGGSGSA-N 1 0 474.675 3.123 20 0 JGADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164841599 720611769 /nfs/dbraw/zinc/61/17/69/720611769.db2.gz TYJHAUOMNQTPTA-KJXAQDMKSA-N 1 0 474.675 3.123 20 0 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JGADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2ccccc21 ZINC001164887169 721409346 /nfs/dbraw/zinc/40/93/46/721409346.db2.gz LHASBZUCSYKWDN-RXFWQSSRSA-N 1 0 452.599 3.177 20 0 JGADRO CCOC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2ccccc21 ZINC001164887161 721409775 /nfs/dbraw/zinc/40/97/75/721409775.db2.gz LHASBZUCSYKWDN-FNZWTVRRSA-N 1 0 452.599 3.177 20 0 JGADRO COc1cc2nc(Cl)c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2cc1OC ZINC001164887679 721413729 /nfs/dbraw/zinc/41/37/29/721413729.db2.gz MEAFGVHVJPXWGU-MZNJEOGPSA-N 1 0 476.021 3.066 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C3)O2)CC1 ZINC001164885884 721417815 /nfs/dbraw/zinc/41/78/15/721417815.db2.gz HTKHQENSAMIPQA-MHECFPHRSA-N 1 0 464.054 3.029 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)ncc4C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001164883475 721420561 /nfs/dbraw/zinc/42/05/61/721420561.db2.gz ABCDTLBMJNVREP-HOYKHHGWSA-N 1 0 465.038 3.456 20 0 JGADRO 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Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc(Cl)nc2)n1 ZINC001164898699 721444733 /nfs/dbraw/zinc/44/47/33/721444733.db2.gz WODPSCSCUDNSRH-RDPSFJRHSA-N 1 0 457.022 3.266 20 0 JGADRO COc1ccc(Oc2cc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc(C)n2)cc1 ZINC001164892986 721445491 /nfs/dbraw/zinc/44/54/91/721445491.db2.gz INHCJTCZKPICSB-BVAGGSTKSA-N 1 0 467.614 3.351 20 0 JGADRO COc1ccc(Oc2cc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc(C)n2)cc1 ZINC001164892991 721445623 /nfs/dbraw/zinc/44/56/23/721445623.db2.gz INHCJTCZKPICSB-ZEQKJWHPSA-N 1 0 467.614 3.351 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cncc(OCc5cccc(Cl)c5)n4)C3)O2)CC1 ZINC001164884947 721447032 /nfs/dbraw/zinc/44/70/32/721447032.db2.gz CZNFYEPKMYBXEK-DHLKQENFSA-N 1 0 472.033 3.474 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)C3)O2)CC1 ZINC001164889139 721447758 /nfs/dbraw/zinc/44/77/58/721447758.db2.gz NWBPIMQGECJUME-DYESRHJHSA-N 1 0 487.979 3.137 20 0 JGADRO 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COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1nc(C)n3C)CC2 ZINC001164790672 721465284 /nfs/dbraw/zinc/46/52/84/721465284.db2.gz UKHVPXXLSNYZMZ-GOSISDBHSA-N 1 0 463.026 3.059 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164787245 721467539 /nfs/dbraw/zinc/46/75/39/721467539.db2.gz DPFDPRFJWOLKLH-INIZCTEOSA-N 1 0 484.979 3.237 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164788186 721467840 /nfs/dbraw/zinc/46/78/40/721467840.db2.gz IMEKIRCXZBRBBK-GOSISDBHSA-N 1 0 474.980 3.331 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164789470 721467890 /nfs/dbraw/zinc/46/78/90/721467890.db2.gz NDAAJCUZTHBSMM-XMMPIXPASA-N 1 0 466.626 3.026 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164791236 721468374 /nfs/dbraw/zinc/46/83/74/721468374.db2.gz VPDXHYTZLFTQHQ-NRFANRHFSA-N 1 0 452.599 3.068 20 0 JGADRO 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COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983665 722125141 /nfs/dbraw/zinc/12/51/41/722125141.db2.gz YXLPLNORPHHPEQ-SJLPKXTDSA-N 1 0 466.916 3.189 20 0 JGADRO COC(=O)c1cc2c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164980307 722132047 /nfs/dbraw/zinc/13/20/47/722132047.db2.gz MQSAXXMBHMPXHG-OXQOHEQNSA-N 1 0 455.946 3.125 20 0 JGADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164983799 722136692 /nfs/dbraw/zinc/13/66/92/722136692.db2.gz UZOJCZKXMWFJDM-APWZRJJASA-N 1 0 466.916 3.189 20 0 JGADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973402 722139706 /nfs/dbraw/zinc/13/97/06/722139706.db2.gz CBXUEPIPYIACQE-LPHOPBHVSA-N 1 0 466.916 3.189 20 0 JGADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973407 722139951 /nfs/dbraw/zinc/13/99/51/722139951.db2.gz CBXUEPIPYIACQE-QFBILLFUSA-N 1 0 466.916 3.189 20 0 JGADRO 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C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CCC2 ZINC001165001592 722254698 /nfs/dbraw/zinc/25/46/98/722254698.db2.gz CDYCJISATMZBOW-UHFFFAOYSA-N 1 0 461.929 3.141 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CCC2 ZINC001165003771 722256741 /nfs/dbraw/zinc/25/67/41/722256741.db2.gz HEWBHXUFWOXHAR-UHFFFAOYSA-N 1 0 461.010 3.092 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CCC2 ZINC001165004519 722258252 /nfs/dbraw/zinc/25/82/52/722258252.db2.gz TXTDUEMXKUHVDE-UHFFFAOYSA-N 1 0 471.965 3.056 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305800040 1069322146 /nfs/dbraw/zinc/32/21/46/1069322146.db2.gz JYUTURSVAFPJIW-QGZVFWFLSA-N 1 0 466.696 3.028 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C(C)C)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001305801304 1069323475 /nfs/dbraw/zinc/32/34/75/1069323475.db2.gz RHXGRSHFTMTAJY-OAQYLSRUSA-N 1 0 492.734 3.419 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305801562 1069324119 /nfs/dbraw/zinc/32/41/19/1069324119.db2.gz UZTUIRSAVPRZQN-BAGYTPMASA-N 1 0 460.667 3.180 20 0 JGADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001305801875 1069324623 /nfs/dbraw/zinc/32/46/23/1069324623.db2.gz AQAVOHLEOBLZDJ-DENIHFKCSA-N 1 0 468.646 3.257 20 0 JGADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001305802286 1069325668 /nfs/dbraw/zinc/32/56/68/1069325668.db2.gz CHHCXLCXKGVFBW-IBGZPJMESA-N 1 0 491.681 3.174 20 0 JGADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C)[NH+]1CCCC1 ZINC001305804797 1069330598 /nfs/dbraw/zinc/33/05/98/1069330598.db2.gz IYSIATAHOQUSFC-YVNJGZBMSA-N 1 0 474.675 3.145 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)OC ZINC001305805385 1069332259 /nfs/dbraw/zinc/33/22/59/1069332259.db2.gz BFOWOXMMJLHLRH-UXHICEINSA-N 1 0 452.603 3.384 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1C)[NH+]1CCCC1 ZINC001305805735 1069332688 /nfs/dbraw/zinc/33/26/88/1069332688.db2.gz LQEVYBJHGRYCFW-KCZVDYSFSA-N 1 0 474.675 3.413 20 0 JGADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC001305805806 1069333362 /nfs/dbraw/zinc/33/33/62/1069333362.db2.gz YVGQBUDIZRCRNV-LADGPHEKSA-N 1 0 481.689 3.215 20 0 JGADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCCC1 ZINC001305807325 1069335865 /nfs/dbraw/zinc/33/58/65/1069335865.db2.gz ADCLKHIUBOMSPM-MRXNPFEDSA-N 1 0 480.455 3.261 20 0 JGADRO CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CCCO[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001305810674 1069340545 /nfs/dbraw/zinc/34/05/45/1069340545.db2.gz PWQPNMXMRUZTOT-ZFGGDYGUSA-N 1 0 471.646 3.454 20 0 JGADRO CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCCCC2)C1)[NH+]1CCCC1 ZINC001305811209 1069341286 /nfs/dbraw/zinc/34/12/86/1069341286.db2.gz RPLXCRZWFZIHEP-OALUTQOASA-N 1 0 484.736 3.019 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCOC1)[NH+]1CCCC1 ZINC001305812968 1069343386 /nfs/dbraw/zinc/34/33/86/1069343386.db2.gz WOKFCAXBTCHNLL-WBVHZDCISA-N 1 0 451.413 3.383 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](COC(C)C)C1)[NH+]1CCCC1 ZINC001305813629 1069344800 /nfs/dbraw/zinc/34/48/00/1069344800.db2.gz DJFILXZCOCMMRV-FYYLOGMGSA-N 1 0 457.619 3.458 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](COC(C)C)C1)[NH+]1CCCC1 ZINC001305813631 1069344831 /nfs/dbraw/zinc/34/48/31/1069344831.db2.gz DJFILXZCOCMMRV-GMAHTHKFSA-N 1 0 457.619 3.458 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)OC ZINC001305813994 1069345108 /nfs/dbraw/zinc/34/51/08/1069345108.db2.gz LIOCBMNZCXNYJA-LPHOPBHVSA-N 1 0 466.424 3.290 20 0 JGADRO CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnccn1)[NH+]1CCCC1 ZINC001305817605 1069351693 /nfs/dbraw/zinc/35/16/93/1069351693.db2.gz YXPUAKSCTQEKLD-HXUWFJFHSA-N 1 0 451.575 3.263 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)OC ZINC001305822530 1069358530 /nfs/dbraw/zinc/35/85/30/1069358530.db2.gz LJHPWHCTUVAFJB-NQIIRXRSSA-N 1 0 473.618 3.077 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCCC1 ZINC001305825255 1069363608 /nfs/dbraw/zinc/36/36/08/1069363608.db2.gz ZYNMTBPPIPBPRK-PZJWPPBQSA-N 1 0 484.645 3.282 20 0 JGADRO CC[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001305825606 1069364192 /nfs/dbraw/zinc/36/41/92/1069364192.db2.gz YGFRMQCQYOKCIX-NRFANRHFSA-N 1 0 488.702 3.378 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C(C)C)CC1)Oc1ccccc1F ZINC001305828418 1069368963 /nfs/dbraw/zinc/36/89/63/1069368963.db2.gz JOTKYOKAVKOMFV-ICSRJNTNSA-N 1 0 458.582 3.146 20 0 JGADRO CC[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001305829482 1069370570 /nfs/dbraw/zinc/37/05/70/1069370570.db2.gz AEIGXIGDQSHFML-QZTJIDSGSA-N 1 0 456.557 3.315 20 0 JGADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001305837058 1069379928 /nfs/dbraw/zinc/37/99/28/1069379928.db2.gz RRGHKZVTBDRNJD-DEOSSOPVSA-N 1 0 496.700 3.435 20 0 JGADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC001305835831 1069377672 /nfs/dbraw/zinc/37/76/72/1069377672.db2.gz MNCLYSFWQXOQDF-VXKWHMMOSA-N 1 0 452.647 3.405 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001305836445 1069378635 /nfs/dbraw/zinc/37/86/35/1069378635.db2.gz JQNGNGKZQBYRIF-VXKWHMMOSA-N 1 0 477.650 3.286 20 0 JGADRO CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+]1CCCC1 ZINC001305837211 1069380356 /nfs/dbraw/zinc/38/03/56/1069380356.db2.gz MHYCBVCSGYMIMW-OALUTQOASA-N 1 0 460.573 3.126 20 0 JGADRO CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C)[NH+]1CCCC1 ZINC001305838157 1069381420 /nfs/dbraw/zinc/38/14/20/1069381420.db2.gz PLZXYWCUNWYPQP-XUVXKRRUSA-N 1 0 462.639 3.450 20 0 JGADRO 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/nfs/dbraw/zinc/75/88/47/1064758847.db2.gz YDYJMCGXAVISNM-ZWKOTPCHSA-N 1 0 462.042 3.466 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2F)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001298968898 1064759803 /nfs/dbraw/zinc/75/98/03/1064759803.db2.gz GAJFOBQLLMJXFY-KRWDZBQOSA-N 1 0 465.577 3.254 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001298969336 1064760458 /nfs/dbraw/zinc/76/04/58/1064760458.db2.gz BMGJOJPEMHEOTD-HXUWFJFHSA-N 1 0 461.614 3.193 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001298969612 1064760944 /nfs/dbraw/zinc/76/09/44/1064760944.db2.gz CIHKWKVCXGOKTA-BHIFYINESA-N 1 0 492.672 3.317 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001298970489 1064762131 /nfs/dbraw/zinc/76/21/31/1064762131.db2.gz PBZUUDFOJYJXMF-RXVVDRJESA-N 1 0 484.645 3.045 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001298971853 1064762383 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/nfs/dbraw/zinc/77/01/83/1064770183.db2.gz XLZRMDBLESHNCG-SIKLNZKXSA-N 1 0 468.646 3.175 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001298987392 1064771462 /nfs/dbraw/zinc/77/14/62/1064771462.db2.gz ACPMVEMXNPWEKK-KKLQWCBXSA-N 1 0 481.670 3.227 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccncc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001298988340 1064771913 /nfs/dbraw/zinc/77/19/13/1064771913.db2.gz FDBFMIJTPIYSGZ-IBGZPJMESA-N 1 0 481.670 3.056 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001298988328 1064772171 /nfs/dbraw/zinc/77/21/71/1064772171.db2.gz UICSXURLYNMPOY-KRWDZBQOSA-N 1 0 462.589 3.230 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2cccnc2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001298992045 1064775224 /nfs/dbraw/zinc/77/52/24/1064775224.db2.gz YUEWHUVSIUUCFE-XUZZJYLKSA-N 1 0 475.641 3.228 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C)cc2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001298999259 1064779100 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CEQVDEUDJRULLW-IBGZPJMESA-N 1 0 473.618 3.461 20 0 JGADRO COc1cc(-c2nnc(N3CCCOCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc(OC)c1OC ZINC001299854734 1065062880 /nfs/dbraw/zinc/06/28/80/1065062880.db2.gz MKCFIDNSCJZACS-NRFANRHFSA-N 1 0 473.618 3.318 20 0 JGADRO COc1cc(-c2nnc(N3CCCOCC3)n2CC2([NH+](C)C)CCOCC2)ccc1OC(C)C ZINC001299854997 1065063573 /nfs/dbraw/zinc/06/35/73/1065063573.db2.gz POKDZCNFMOEWHD-UHFFFAOYSA-N 1 0 473.618 3.078 20 0 JGADRO COc1cc(-c2nnc(N3CCCN(C(C)=O)CC3)n2CCC[NH+]2CCCC2)ccc1OC(C)C ZINC001299855941 1065065073 /nfs/dbraw/zinc/06/50/73/1065065073.db2.gz ZXFKTBXTCAMUPQ-UHFFFAOYSA-N 1 0 484.645 3.285 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCC(C)(C)O)cc(OC)c1OC ZINC001299859222 1065072194 /nfs/dbraw/zinc/07/21/94/1065072194.db2.gz ZQVSJUJGDZEJPD-UHFFFAOYSA-N 1 0 473.618 3.197 20 0 JGADRO COc1cc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc(OC)c1OC ZINC001299861841 1065078038 /nfs/dbraw/zinc/07/80/38/1065078038.db2.gz NZVKBBREBDSEIK-WAIKUNEKSA-N 1 0 493.699 3.350 20 0 JGADRO COc1cc(-c2nnc(N3CC[C@@H](OC)C3)n2CC(C)(C)C[NH+]2CCCC2)cc(OC)c1OC ZINC001299862032 1065078681 /nfs/dbraw/zinc/07/86/81/1065078681.db2.gz PKRKGTDEYBUGOC-LJQANCHMSA-N 1 0 473.618 3.318 20 0 JGADRO COc1cc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)[NH+](C)C)c(SC)cc1OC ZINC001299873634 1065094112 /nfs/dbraw/zinc/09/41/12/1065094112.db2.gz QRPLYAJZVLFHJP-IRXDYDNUSA-N 1 0 463.648 3.498 20 0 JGADRO COc1cc(Cn2c(C(C)C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)ccc1OCCO ZINC001299878510 1065097991 /nfs/dbraw/zinc/09/79/91/1065097991.db2.gz NEGJBEOPIWMGCT-UHFFFAOYSA-N 1 0 459.635 3.388 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1 ZINC001299893108 1065122591 /nfs/dbraw/zinc/12/25/91/1065122591.db2.gz QHGBQUBQNIBEDR-INIZCTEOSA-N 1 0 496.077 3.351 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1 ZINC001299893109 1065122664 /nfs/dbraw/zinc/12/26/64/1065122664.db2.gz QHGBQUBQNIBEDR-MRXNPFEDSA-N 1 0 496.077 3.351 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001299895216 1065126501 /nfs/dbraw/zinc/12/65/01/1065126501.db2.gz NBUPQNKEOYPUFF-MJGOQNOKSA-N 1 0 496.077 3.351 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001299898119 1065132626 /nfs/dbraw/zinc/13/26/26/1065132626.db2.gz MCVMMHKHSWRSNK-QGZVFWFLSA-N 1 0 461.010 3.150 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001299898629 1065133170 /nfs/dbraw/zinc/13/31/70/1065133170.db2.gz QCYISDISZWEEJO-MSOLQXFVSA-N 1 0 475.037 3.396 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCC(N3CCNC3=O)CC2)n1CCC[N@H+](C)C(C)C ZINC001299902821 1065139846 /nfs/dbraw/zinc/13/98/46/1065139846.db2.gz HPSKYLQGTOOIKS-UHFFFAOYSA-N 1 0 490.052 3.331 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001299903583 1065142471 /nfs/dbraw/zinc/14/24/71/1065142471.db2.gz GNYRGWDIAVKZIQ-QKKBWIMNSA-N 1 0 455.937 3.155 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC[N@H+](C)C(C)C ZINC001299907616 1065149866 /nfs/dbraw/zinc/14/98/66/1065149866.db2.gz JFPGAYVNGNJQKG-UHFFFAOYSA-N 1 0 498.031 3.305 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001299907878 1065150525 /nfs/dbraw/zinc/15/05/25/1065150525.db2.gz NFAONFVTRUFTIF-QZTJIDSGSA-N 1 0 475.037 3.396 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001299907876 1065150611 /nfs/dbraw/zinc/15/06/11/1065150611.db2.gz NFAONFVTRUFTIF-MSOLQXFVSA-N 1 0 475.037 3.396 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001299908366 1065152069 /nfs/dbraw/zinc/15/20/69/1065152069.db2.gz SPMZHFBSVBIXEP-MRXNPFEDSA-N 1 0 478.041 3.187 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@]1(O)CCSC1 ZINC001299909138 1065155553 /nfs/dbraw/zinc/15/55/53/1065155553.db2.gz OLYFNTDCSRJVDC-QFIPXVFZSA-N 1 0 466.051 3.253 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H](C)OC ZINC001299909136 1065155689 /nfs/dbraw/zinc/15/56/89/1065155689.db2.gz OLJGVLYXNDPDPX-QGZVFWFLSA-N 1 0 451.999 3.189 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001299909153 1065155777 /nfs/dbraw/zinc/15/57/77/1065155777.db2.gz OSVHJRXUNIAPGT-MRXNPFEDSA-N 1 0 488.036 3.484 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2C[C@@H](OC)[C@@H](OC)C2)n1CC[NH+]1CCCCCC1 ZINC001299910299 1065159352 /nfs/dbraw/zinc/15/93/52/1065159352.db2.gz COTNYSDCGZCSDP-OYRHEFFESA-N 1 0 464.010 3.333 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC[C@H](OC)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299913703 1065166063 /nfs/dbraw/zinc/16/60/63/1065166063.db2.gz VMTHURWVKAMXBG-SCTDSRPQSA-N 1 0 464.010 3.332 20 0 JGADRO COc1cc(N(C)c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC001299922021 1065174741 /nfs/dbraw/zinc/17/47/41/1065174741.db2.gz CWDGSRQZTOQKLW-QGZVFWFLSA-N 1 0 467.574 3.261 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299935857 1065202594 /nfs/dbraw/zinc/20/25/94/1065202594.db2.gz IAKCTFMBAPODAD-AFMDSPMNSA-N 1 0 487.645 3.324 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[NH+]2CCCC2)c1 ZINC001299936306 1065203096 /nfs/dbraw/zinc/20/30/96/1065203096.db2.gz LTXYJVDVMOLCID-HNAYVOBHSA-N 1 0 469.508 3.214 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(CO)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001299938412 1065207552 /nfs/dbraw/zinc/20/75/52/1065207552.db2.gz PKNRXCLYYIMDRJ-LJQANCHMSA-N 1 0 457.619 3.436 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299939371 1065209394 /nfs/dbraw/zinc/20/93/94/1065209394.db2.gz ZTKKBMPRWLDNSG-MSOLQXFVSA-N 1 0 488.633 3.263 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC4(CNC(=O)C4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001299941349 1065210748 /nfs/dbraw/zinc/21/07/48/1065210748.db2.gz HHIAFNFFBPZPED-FQEVSTJZSA-N 1 0 484.645 3.045 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001299944107 1065215539 /nfs/dbraw/zinc/21/55/39/1065215539.db2.gz FJFWIJLAFBLGLB-OAQYLSRUSA-N 1 0 484.645 3.284 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](OC)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299946018 1065219677 /nfs/dbraw/zinc/21/96/77/1065219677.db2.gz XHMSMESILVAWGM-SVFBPWRDSA-N 1 0 473.618 3.077 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCO[C@H]2CCOC2)c1 ZINC001299946317 1065220876 /nfs/dbraw/zinc/22/08/76/1065220876.db2.gz ACAYZYNVAQUHRM-NRFANRHFSA-N 1 0 487.645 3.469 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC=C(C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001299946291 1065220919 /nfs/dbraw/zinc/22/09/19/1065220919.db2.gz ZJNXKABRJKVNMN-UHFFFAOYSA-N 1 0 454.619 3.145 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001299946934 1065222044 /nfs/dbraw/zinc/22/20/44/1065222044.db2.gz TXFFLHPBKLJUHR-CVDCTZTESA-N 1 0 484.645 3.175 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001299946957 1065222540 /nfs/dbraw/zinc/22/25/40/1065222540.db2.gz UOBNIUOPDBIXEB-OALUTQOASA-N 1 0 484.645 3.175 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(C(C)=O)C4(CCCCC4)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299950734 1065226347 /nfs/dbraw/zinc/22/63/47/1065226347.db2.gz NHQWBVCHMQJLRZ-IBGZPJMESA-N 1 0 484.645 3.284 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001299952164 1065230865 /nfs/dbraw/zinc/23/08/65/1065230865.db2.gz MFDDPULSGRBAOY-VQTJNVASSA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CC[NH+]2CCSCC2)c1 ZINC001299953346 1065233743 /nfs/dbraw/zinc/23/37/43/1065233743.db2.gz KAXJIDNXLIOKSF-IAGOWNOFSA-N 1 0 463.673 3.341 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCSCC2)c1 ZINC001299957989 1065236881 /nfs/dbraw/zinc/23/68/81/1065236881.db2.gz NIWVGBDMKYFDIB-XMMPIXPASA-N 1 0 491.658 3.153 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001299958962 1065238177 /nfs/dbraw/zinc/23/81/77/1065238177.db2.gz WXLRRARMVFTRQA-OAQYLSRUSA-N 1 0 472.634 3.303 20 0 JGADRO COc1cc2c(cc1C)CN(c1nnc([C@@H]3CCS(=O)(=O)C3)n1C[C@H](CC(C)C)[NH+](C)C)CC2 ZINC001299960352 1065242354 /nfs/dbraw/zinc/24/23/54/1065242354.db2.gz WSHKCWVWIJGEFV-IRLDBZIGSA-N 1 0 489.686 3.036 20 0 JGADRO COc1cc2c(cc1OC)CCN(c1nnc(C(C)C)n1CCCC[NH+]1CCOCC1)CC2 ZINC001299963664 1065246348 /nfs/dbraw/zinc/24/63/48/1065246348.db2.gz MMAWFFHTQUWOGT-UHFFFAOYSA-N 1 0 457.619 3.136 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C)C3)n2CCC[NH+]2CCCC2)c1 ZINC001299974381 1065264641 /nfs/dbraw/zinc/26/46/41/1065264641.db2.gz UNQNVDKIFMSISV-MRXNPFEDSA-N 1 0 464.408 3.427 20 0 JGADRO COc1ccc(Br)c(CN(C)c2nnc(C(=O)NC(C)C)n2CC[N@H+](C)C(C)C)c1 ZINC001299975686 1065270290 /nfs/dbraw/zinc/27/02/90/1065270290.db2.gz RRBOHLZZJDSGME-UHFFFAOYSA-N 1 0 481.439 3.164 20 0 JGADRO COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC001299978456 1065274896 /nfs/dbraw/zinc/27/48/96/1065274896.db2.gz AOUVISORUASSRB-QUCCMNQESA-N 1 0 454.619 3.076 20 0 JGADRO COc1ccc(C(C)(C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1OC ZINC001299978744 1065276010 /nfs/dbraw/zinc/27/60/10/1065276010.db2.gz GCKCQQPWKABYGE-UHFFFAOYSA-N 1 0 498.672 3.141 20 0 JGADRO COc1ccc([C@@H](C)N(C)c2nnc(-c3cnccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001299982980 1065283713 /nfs/dbraw/zinc/28/37/13/1065283713.db2.gz CKMWESWWBIZSFE-HSALFYBXSA-N 1 0 465.602 3.440 20 0 JGADRO COc1ccc([C@@H](C)N(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001299983628 1065284896 /nfs/dbraw/zinc/28/48/96/1065284896.db2.gz JOUAWVXQLHKNOD-XMSQKQJNSA-N 1 0 484.645 3.325 20 0 JGADRO COc1ccc([C@@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001299986963 1065288517 /nfs/dbraw/zinc/28/85/17/1065288517.db2.gz NGPQINAOJVHOPW-JOCHJYFZSA-N 1 0 494.688 3.372 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc(CN3CCCC3=O)n2CC[NH+]2CCCCCC2)cc1 ZINC001299987199 1065289283 /nfs/dbraw/zinc/28/92/83/1065289283.db2.gz QWZWREMRQHFLAG-FQEVSTJZSA-N 1 0 454.619 3.483 20 0 JGADRO COc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(OCC(N)=O)CC2)[NH+]2CCCC2)cc1 ZINC001299987843 1065290125 /nfs/dbraw/zinc/29/01/25/1065290125.db2.gz HMMOGHDARGHYMV-QHCPKHFHSA-N 1 0 498.672 3.183 20 0 JGADRO COc1ccc([C@H](Cn2c(C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)[NH+]2CCCC2)cc1 ZINC001299988258 1065291622 /nfs/dbraw/zinc/29/16/22/1065291622.db2.gz MDQMJWGEQNQSSE-XXBNENTESA-N 1 0 454.619 3.125 20 0 JGADRO COc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C)C(=O)[C@@H]2C)[NH+]2CCCC2)cc1 ZINC001299988809 1065292508 /nfs/dbraw/zinc/29/25/08/1065292508.db2.gz XLZQPPRWEBADDU-SIKLNZKXSA-N 1 0 468.646 3.379 20 0 JGADRO COc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CCCN(C(C)=O)CC2)[NH+]2CCCC2)cc1 ZINC001299988732 1065292575 /nfs/dbraw/zinc/29/25/75/1065292575.db2.gz VIEJXIUENFMSQM-XMMPIXPASA-N 1 0 468.646 3.381 20 0 JGADRO COc1ccc(C)cc1CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001299990283 1065293986 /nfs/dbraw/zinc/29/39/86/1065293986.db2.gz GBTFBXWPDIDRSZ-OAQYLSRUSA-N 1 0 463.630 3.238 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC001299992570 1065299539 /nfs/dbraw/zinc/29/95/39/1065299539.db2.gz PCSGCNIZEFIWOP-WIYYLYMNSA-N 1 0 484.645 3.460 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC2([NH+](C)C)CCOCC2)cc1OC ZINC001299997577 1065308102 /nfs/dbraw/zinc/30/81/02/1065308102.db2.gz YBVBLCSGBWCKJO-SFHVURJKSA-N 1 0 461.632 3.015 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCOC3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001492211585 1065324306 /nfs/dbraw/zinc/32/43/06/1065324306.db2.gz OWJVXRQUHRTTJB-OAQYLSRUSA-N 1 0 458.626 3.140 20 0 JGADRO Cc1ccc(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001492221880 1065328369 /nfs/dbraw/zinc/32/83/69/1065328369.db2.gz WDJKTHJVLDSNPW-DHLKQENFSA-N 1 0 457.619 3.242 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@]3([NH+](C)C)CCSC3)CC2=O)cc1 ZINC001492228587 1065330635 /nfs/dbraw/zinc/33/06/35/1065330635.db2.gz XELBDTZPPHQVJY-DEOSSOPVSA-N 1 0 456.660 3.175 20 0 JGADRO Cc1ccc(N2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@@H](C)[NH+](C)C)CC2=O)cc1 ZINC001492232698 1065333637 /nfs/dbraw/zinc/33/36/37/1065333637.db2.gz JZARPVBVIIYQDA-KJXAQDMKSA-N 1 0 468.646 3.308 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001492234304 1065334813 /nfs/dbraw/zinc/33/48/13/1065334813.db2.gz BPYVPFJPVJFABM-NQIIRXRSSA-N 1 0 483.661 3.228 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001492237105 1065336764 /nfs/dbraw/zinc/33/67/64/1065336764.db2.gz GAIJVRGGXZFIFO-UHFFFAOYSA-N 1 0 453.635 3.019 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCSC2)cc1C ZINC001492240404 1065338164 /nfs/dbraw/zinc/33/81/64/1065338164.db2.gz KSHXCGHHIYXBHJ-NBGIEHNGSA-N 1 0 486.686 3.447 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@H]2C[C@@H]2C)cc1C ZINC001492241535 1065340790 /nfs/dbraw/zinc/34/07/90/1065340790.db2.gz YBFIFMDJUZTKTQ-PMACEKPBSA-N 1 0 454.619 3.350 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001492245000 1065343880 /nfs/dbraw/zinc/34/38/80/1065343880.db2.gz YMPNOWVNHHIMMO-LEWJYISDSA-N 1 0 481.645 3.079 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001492248240 1065347153 /nfs/dbraw/zinc/34/71/53/1065347153.db2.gz QOHFSTMDTBYJOJ-RTWAWAEBSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(N)=O)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001492247820 1065347240 /nfs/dbraw/zinc/34/72/40/1065347240.db2.gz OSTZBXOKDPZRNA-HXUWFJFHSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492249845 1065349338 /nfs/dbraw/zinc/34/93/38/1065349338.db2.gz FKJUYDYGJHOOMK-UHFFFAOYSA-N 1 0 489.615 3.409 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[NH+](C(C)C)C(C)C)cc1C ZINC001492255795 1065356160 /nfs/dbraw/zinc/35/61/60/1065356160.db2.gz YHFRXHZARKDFQV-NRFANRHFSA-N 1 0 483.661 3.358 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2NC(=O)CC2(C)C)cc1C ZINC001492265370 1065357355 /nfs/dbraw/zinc/35/73/55/1065357355.db2.gz HKFJLDXTNPDOAK-OAQYLSRUSA-N 1 0 495.672 3.373 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCN(c4nccs4)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492265832 1065358876 /nfs/dbraw/zinc/35/88/76/1065358876.db2.gz KYOWZWQJALZKQS-IBGZPJMESA-N 1 0 482.658 3.271 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCN(c4nccs4)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492265933 1065359366 /nfs/dbraw/zinc/35/93/66/1065359366.db2.gz KYOWZWQJALZKQS-LJQANCHMSA-N 1 0 482.658 3.271 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC(F)(F)F)cc1C ZINC001492266163 1065360961 /nfs/dbraw/zinc/36/09/61/1065360961.db2.gz KFUAJKFPLHMNRA-UHFFFAOYSA-N 1 0 466.508 3.011 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2CCC[N@H+](C)C2CCCCC2)cc1C ZINC001492266527 1065362437 /nfs/dbraw/zinc/36/24/37/1065362437.db2.gz NXFUMPFRDMKNDN-UHFFFAOYSA-N 1 0 481.645 3.080 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C4CCCCC4)C(=O)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492268068 1065363559 /nfs/dbraw/zinc/36/35/59/1065363559.db2.gz RGTXOGYWRPTHBR-HXUWFJFHSA-N 1 0 481.645 3.079 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC2([NH+](C)C)CCC2)cc1C ZINC001492268920 1065364224 /nfs/dbraw/zinc/36/42/24/1065364224.db2.gz ZSAYLUZXNKWDCP-UHFFFAOYSA-N 1 0 495.672 3.326 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001492274105 1065368462 /nfs/dbraw/zinc/36/84/62/1065368462.db2.gz UPTFRLHOOAECNL-QHCPKHFHSA-N 1 0 497.688 3.034 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001492274116 1065368595 /nfs/dbraw/zinc/36/85/95/1065368595.db2.gz UYEXTBSBIHSPLN-UNMCSNQZSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4ccc[nH]4)n3CC[N@@H+](C)C(C)C)C2)nc1 ZINC001492281301 1065374442 /nfs/dbraw/zinc/37/44/42/1065374442.db2.gz QLJQGPSDERUEAL-LJQANCHMSA-N 1 0 450.591 3.172 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001492281936 1065375049 /nfs/dbraw/zinc/37/50/49/1065375049.db2.gz VVEAXQGQOLBCBW-SFTDATJTSA-N 1 0 483.661 3.318 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C[NH+](C)C)CC2)nc1 ZINC001492282280 1065375707 /nfs/dbraw/zinc/37/57/07/1065375707.db2.gz XBBSAYUAGZLWQB-UHFFFAOYSA-N 1 0 476.629 3.486 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC001492282382 1065375724 /nfs/dbraw/zinc/37/57/24/1065375724.db2.gz XMZXGFVELMIOJH-OYRHEFFESA-N 1 0 483.661 3.459 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492284081 1065377038 /nfs/dbraw/zinc/37/70/38/1065377038.db2.gz PYEQVGNERNOQSK-OAQYLSRUSA-N 1 0 481.645 3.018 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492287166 1065379875 /nfs/dbraw/zinc/37/98/75/1065379875.db2.gz NRXDUDIPCXONKO-BDTNDASRSA-N 1 0 484.645 3.055 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001492288525 1065383065 /nfs/dbraw/zinc/38/30/65/1065383065.db2.gz YPRCSZJXUBKWRJ-FQEVSTJZSA-N 1 0 476.610 3.483 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC2CC[NH+](C3CC3)CC2)cc1 ZINC001492310882 1065390046 /nfs/dbraw/zinc/39/00/46/1065390046.db2.gz ISQQOISRUIPAOE-VQTJNVASSA-N 1 0 489.686 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001492336289 1065402592 /nfs/dbraw/zinc/40/25/92/1065402592.db2.gz DLXNIIDPJNZILJ-NRFANRHFSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[NH+]2CCCCCC2)cc1C ZINC001492339016 1065406896 /nfs/dbraw/zinc/40/68/96/1065406896.db2.gz TVHFCOBWWDQXAR-NRFANRHFSA-N 1 0 454.619 3.017 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001492338866 1065406943 /nfs/dbraw/zinc/40/69/43/1065406943.db2.gz RUVIIVYOVOAGRB-BHIFYINESA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2COCCO2)cc1C ZINC001492353698 1065416415 /nfs/dbraw/zinc/41/64/15/1065416415.db2.gz IUWDYHGYOUPBGV-XMMPIXPASA-N 1 0 471.646 3.446 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CCC(=O)NC(C)C)cc1 ZINC001492354063 1065418147 /nfs/dbraw/zinc/41/81/47/1065418147.db2.gz VNUKOOHNLGLINO-QFIPXVFZSA-N 1 0 468.646 3.392 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001492360468 1065422298 /nfs/dbraw/zinc/42/22/98/1065422298.db2.gz UCRKJNPDKTUDCP-UHFFFAOYSA-N 1 0 454.619 3.002 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001492363362 1065424223 /nfs/dbraw/zinc/42/42/23/1065424223.db2.gz ISOPYLAJAHORDN-GGAORHGYSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001492368975 1065428700 /nfs/dbraw/zinc/42/87/00/1065428700.db2.gz ITNLSCVBONJNHQ-UHFFFAOYSA-N 1 0 493.656 3.331 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492371385 1065435157 /nfs/dbraw/zinc/43/51/57/1065435157.db2.gz PZZXKMHLRXRBNX-FCHUYYIVSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492372202 1065436598 /nfs/dbraw/zinc/43/65/98/1065436598.db2.gz XHWBEDCHIYXPGU-BWKNWUBXSA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372417 1065438092 /nfs/dbraw/zinc/43/80/92/1065438092.db2.gz ZQZHCDZIGSIXPT-FGZHOGPDSA-N 1 0 489.686 3.301 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001492376765 1065439912 /nfs/dbraw/zinc/43/99/12/1065439912.db2.gz FCBOTBQDKRGFSS-PZJWPPBQSA-N 1 0 466.586 3.072 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492376859 1065440018 /nfs/dbraw/zinc/44/00/18/1065440018.db2.gz GXPWDGVMBHISMO-VXKWHMMOSA-N 1 0 468.646 3.379 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCOCC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492377855 1065442400 /nfs/dbraw/zinc/44/24/00/1065442400.db2.gz WZRCYFNKFAVNAU-QHCPKHFHSA-N 1 0 457.619 3.057 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCNC(=O)c2ccco2)cc1 ZINC001492382772 1065444619 /nfs/dbraw/zinc/44/46/19/1065444619.db2.gz CNOHDYFUEMWRCZ-UHFFFAOYSA-N 1 0 466.586 3.109 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001492382934 1065445256 /nfs/dbraw/zinc/44/52/56/1065445256.db2.gz GCKLMHJPXUJHBL-CTNGQTDRSA-N 1 0 466.586 3.037 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001492382936 1065445313 /nfs/dbraw/zinc/44/53/13/1065445313.db2.gz GCKLMHJPXUJHBL-PZJWPPBQSA-N 1 0 466.586 3.037 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001492383087 1065446374 /nfs/dbraw/zinc/44/63/74/1065446374.db2.gz KFQKQOJZMVRDNW-UHFFFAOYSA-N 1 0 456.635 3.167 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC[NH+]2CCCCC2)cc1 ZINC001492383373 1065447878 /nfs/dbraw/zinc/44/78/78/1065447878.db2.gz REDKUWGWVRTYBP-UHFFFAOYSA-N 1 0 483.661 3.282 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492383979 1065450218 /nfs/dbraw/zinc/45/02/18/1065450218.db2.gz DFFXJNOMXFSDKJ-LJQANCHMSA-N 1 0 470.021 3.491 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001492384156 1065450373 /nfs/dbraw/zinc/45/03/73/1065450373.db2.gz DPOIWJZEHMIHSA-VXKWHMMOSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CCC(C)(C)O)cc1 ZINC001492385665 1065453916 /nfs/dbraw/zinc/45/39/16/1065453916.db2.gz UGGCXDNYOUFMDW-HXUWFJFHSA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CCOCC(F)F)cc1 ZINC001492385968 1065454828 /nfs/dbraw/zinc/45/48/28/1065454828.db2.gz WGTPLQDRWUOPLJ-LJQANCHMSA-N 1 0 479.572 3.137 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001492341039 1065457307 /nfs/dbraw/zinc/45/73/07/1065457307.db2.gz YDCBFMVFAATZDG-FYYLOGMGSA-N 1 0 468.646 3.261 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001492346967 1065461680 /nfs/dbraw/zinc/46/16/80/1065461680.db2.gz OFFOAPIQOZBHIR-UHFFFAOYSA-N 1 0 454.619 3.132 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001492393125 1065465172 /nfs/dbraw/zinc/46/51/72/1065465172.db2.gz KYAHSPPPVSNDJP-MJGOQNOKSA-N 1 0 453.509 3.417 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001492392593 1065465350 /nfs/dbraw/zinc/46/53/50/1065465350.db2.gz INLICTHEIRVYSY-RTBURBONSA-N 1 0 453.509 3.273 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001492394562 1065466821 /nfs/dbraw/zinc/46/68/21/1065466821.db2.gz OUFQFCHZHKFORC-FQEVSTJZSA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001492394507 1065466933 /nfs/dbraw/zinc/46/69/33/1065466933.db2.gz OLERRIBTCLKFJV-XUZZJYLKSA-N 1 0 459.660 3.464 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001492399486 1065468443 /nfs/dbraw/zinc/46/84/43/1065468443.db2.gz BATVWMJJQRTNTA-OAQYLSRUSA-N 1 0 459.660 3.102 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001492400992 1065469934 /nfs/dbraw/zinc/46/99/34/1065469934.db2.gz HDIFSFIRFMYTIK-FQEVSTJZSA-N 1 0 458.676 3.133 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492401014 1065470011 /nfs/dbraw/zinc/47/00/11/1065470011.db2.gz KUDNSERKCYDYTJ-NRFANRHFSA-N 1 0 459.660 3.246 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001492401453 1065470920 /nfs/dbraw/zinc/47/09/20/1065470920.db2.gz KOFPXZNKODLZNJ-XPNTWCBSSA-N 1 0 468.646 3.104 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001492403061 1065473441 /nfs/dbraw/zinc/47/34/41/1065473441.db2.gz ZOWPRTKEZHNUNT-GGAORHGYSA-N 1 0 468.646 3.167 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001492418147 1065478893 /nfs/dbraw/zinc/47/88/93/1065478893.db2.gz DJWNCPPVLHCMAB-HSZRJFAPSA-N 1 0 468.646 3.458 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492419354 1065480444 /nfs/dbraw/zinc/48/04/44/1065480444.db2.gz XBNLLBCJTQFXGX-OAQYLSRUSA-N 1 0 454.619 3.070 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001492420544 1065481058 /nfs/dbraw/zinc/48/10/58/1065481058.db2.gz GSHNNOQSLAKZIE-WOJBJXKFSA-N 1 0 468.627 3.417 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001492425211 1065484489 /nfs/dbraw/zinc/48/44/89/1065484489.db2.gz VOGWKOYNXJFZCS-FYYLOGMGSA-N 1 0 457.619 3.454 20 0 JGADRO Cc1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001492427804 1065486278 /nfs/dbraw/zinc/48/62/78/1065486278.db2.gz VKLYQTAQCRIGSO-OAQYLSRUSA-N 1 0 454.619 3.175 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001492432293 1065489814 /nfs/dbraw/zinc/48/98/14/1065489814.db2.gz ZKEBZJCDLVNRGC-NRFANRHFSA-N 1 0 499.685 3.117 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492436489 1065491231 /nfs/dbraw/zinc/49/12/31/1065491231.db2.gz ITWGEPFXLCBVOX-GOSISDBHSA-N 1 0 465.689 3.090 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCn2c(N3CC[NH+](C4CCCCC4)CC3)nnc2C(C)(C)C)s1 ZINC001492437078 1065492242 /nfs/dbraw/zinc/49/22/42/1065492242.db2.gz QKWLQWQMYBKKFF-UHFFFAOYSA-N 1 0 494.731 3.379 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001492391455 1065498346 /nfs/dbraw/zinc/49/83/46/1065498346.db2.gz STPLYHNGRWOXBH-QFIPXVFZSA-N 1 0 468.646 3.404 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001492391450 1065498386 /nfs/dbraw/zinc/49/83/86/1065498386.db2.gz SRHQTHIYJPKBPF-UHFFFAOYSA-N 1 0 454.619 3.004 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001492455907 1065505698 /nfs/dbraw/zinc/50/56/98/1065505698.db2.gz DWTSLLDWARCRAZ-UYAOXDASSA-N 1 0 456.660 3.311 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492456676 1065506839 /nfs/dbraw/zinc/50/68/39/1065506839.db2.gz RSUDCZXKZMSSCG-DFIYOIEZSA-N 1 0 486.686 3.080 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CC(C)(C)O)cc1 ZINC001492459983 1065508129 /nfs/dbraw/zinc/50/81/29/1065508129.db2.gz MIQUIJKUDCBYJV-UHFFFAOYSA-N 1 0 459.660 3.198 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001492461342 1065509983 /nfs/dbraw/zinc/50/99/83/1065509983.db2.gz CTKLMWZIYSXNCV-LEWJYISDSA-N 1 0 477.700 3.232 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001492461704 1065510566 /nfs/dbraw/zinc/51/05/66/1065510566.db2.gz HJYFVDBHPNUYGF-OALUTQOASA-N 1 0 456.660 3.453 20 0 JGADRO CO[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[C@H]1C ZINC001300797082 1065529032 /nfs/dbraw/zinc/52/90/32/1065529032.db2.gz JZVKMSRYPOMPCI-XXBNENTESA-N 1 0 455.647 3.442 20 0 JGADRO CO[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[C@@H]1C ZINC001300797081 1065529043 /nfs/dbraw/zinc/52/90/43/1065529043.db2.gz JZVKMSRYPOMPCI-WMZHIEFXSA-N 1 0 455.647 3.442 20 0 JGADRO CO[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[C@@H]1C ZINC001300797080 1065529272 /nfs/dbraw/zinc/52/92/72/1065529272.db2.gz JZVKMSRYPOMPCI-CVDCTZTESA-N 1 0 455.647 3.442 20 0 JGADRO CO[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[C@H]1C ZINC001300797079 1065529285 /nfs/dbraw/zinc/52/92/85/1065529285.db2.gz JZVKMSRYPOMPCI-AUSIDOKSSA-N 1 0 455.647 3.442 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1(C)C ZINC001300798881 1065531089 /nfs/dbraw/zinc/53/10/89/1065531089.db2.gz TYXAFDUKGBTACS-REHUZNOOSA-N 1 0 451.656 3.156 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCSCC2)CC[C@H]1C ZINC001300799082 1065531843 /nfs/dbraw/zinc/53/18/43/1065531843.db2.gz USAPVKJTLVXDHL-DBXWQHBBSA-N 1 0 463.623 3.467 20 0 JGADRO CO[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC[C@H]1C ZINC001300801013 1065533246 /nfs/dbraw/zinc/53/32/46/1065533246.db2.gz WDYMRLGIDSBHRQ-XXBNENTESA-N 1 0 455.647 3.442 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC001300809604 1065540492 /nfs/dbraw/zinc/54/04/92/1065540492.db2.gz KKMVHTBYHWBUIZ-FTEYMNFISA-N 1 0 463.026 3.354 20 0 JGADRO 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COCC1(Cn2c(N3CCC(CCC[NH+]4CCOCC4)CC3)nnc2C(C)(C)C)CCOCC1 ZINC001301152672 1065988612 /nfs/dbraw/zinc/98/86/12/1065988612.db2.gz RKTPXNKMKAWKJP-UHFFFAOYSA-N 1 0 477.694 3.348 20 0 JGADRO COCC1=CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001301184138 1066013202 /nfs/dbraw/zinc/01/32/02/1066013202.db2.gz DOITXXGVOPBCEE-RDGATRHJSA-N 1 0 461.651 3.222 20 0 JGADRO COCC1=CCN(c2nnc(CC(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001301195600 1066022425 /nfs/dbraw/zinc/02/24/25/1066022425.db2.gz WULWLPPDQBQIBE-QFIPXVFZSA-N 1 0 452.647 3.470 20 0 JGADRO COCC1=CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001301195910 1066022507 /nfs/dbraw/zinc/02/25/07/1066022507.db2.gz ZZLVADKNNSINRI-UHFFFAOYSA-N 1 0 473.065 3.331 20 0 JGADRO COCC1=CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301204016 1066027862 /nfs/dbraw/zinc/02/78/62/1066027862.db2.gz NCXVLLUWTGJVAR-BGYRXZFFSA-N 1 0 473.593 3.278 20 0 JGADRO COCc1nocc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001301225615 1066045464 /nfs/dbraw/zinc/04/54/64/1066045464.db2.gz YZNPZPBNULLQSE-UHFFFAOYSA-N 1 0 452.603 3.414 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001301226955 1066046212 /nfs/dbraw/zinc/04/62/12/1066046212.db2.gz DXPBEKVBKPUDOR-GGAORHGYSA-N 1 0 468.646 3.288 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001301228707 1066047640 /nfs/dbraw/zinc/04/76/40/1066047640.db2.gz VHQPPUTZXUPSRE-WOJBJXKFSA-N 1 0 457.623 3.155 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001301228683 1066047712 /nfs/dbraw/zinc/04/77/12/1066047712.db2.gz USBYJNPCIPHBLI-SFTDATJTSA-N 1 0 468.646 3.116 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCCCCC2)C1 ZINC001301231208 1066050341 /nfs/dbraw/zinc/05/03/41/1066050341.db2.gz LWCSWIVVVBKKTM-RCZVLFRGSA-N 1 0 463.667 3.448 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCC[NH+](C)C)C1 ZINC001301235768 1066053341 /nfs/dbraw/zinc/05/33/41/1066053341.db2.gz KCTZGWBRXUUFHM-HXUWFJFHSA-N 1 0 454.619 3.268 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001301241498 1066059554 /nfs/dbraw/zinc/05/95/54/1066059554.db2.gz YHPXSVWQOQIYCX-QHCPKHFHSA-N 1 0 484.689 3.480 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001301244386 1066060686 /nfs/dbraw/zinc/06/06/86/1066060686.db2.gz KDOUIYRYEMFSBM-FNAHDJPLSA-N 1 0 495.734 3.190 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(C3CCCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301247207 1066063873 /nfs/dbraw/zinc/06/38/73/1066063873.db2.gz ZHXCVOWDBVKCQE-IRLDBZIGSA-N 1 0 460.667 3.131 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(C3CCCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301247209 1066063915 /nfs/dbraw/zinc/06/39/15/1066063915.db2.gz ZHXCVOWDBVKCQE-UNMCSNQZSA-N 1 0 460.667 3.131 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@H](COC)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001301250844 1066067904 /nfs/dbraw/zinc/06/79/04/1066067904.db2.gz HXFCSYOJMWLSDB-MLCQCVOFSA-N 1 0 463.667 3.377 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001301263069 1066078419 /nfs/dbraw/zinc/07/84/19/1066078419.db2.gz QNWNLCIGGGHOSS-SFTDATJTSA-N 1 0 487.645 3.326 20 0 JGADRO COC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001301277387 1066088182 /nfs/dbraw/zinc/08/81/82/1066088182.db2.gz WXQCQRMIZRXZIS-FQEVSTJZSA-N 1 0 456.635 3.016 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301284512 1066092397 /nfs/dbraw/zinc/09/23/97/1066092397.db2.gz YMIRKCKBTRYZHI-UXHICEINSA-N 1 0 474.675 3.253 20 0 JGADRO COCC1CCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC001301287695 1066095768 /nfs/dbraw/zinc/09/57/68/1066095768.db2.gz UJYFHHVVCLTASI-UHFFFAOYSA-N 1 0 478.707 3.031 20 0 JGADRO COCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001301287957 1066096188 /nfs/dbraw/zinc/09/61/88/1066096188.db2.gz WYPBIPKBSKTMOK-JOCHJYFZSA-N 1 0 454.619 3.350 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001301293685 1066098303 /nfs/dbraw/zinc/09/83/03/1066098303.db2.gz IWVXLCWPQLCPHT-SLFFLAALSA-N 1 0 487.645 3.323 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301294259 1066099208 /nfs/dbraw/zinc/09/92/08/1066099208.db2.gz LNQZVAITPKSTHQ-HSALFYBXSA-N 1 0 457.619 3.314 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001301294343 1066099426 /nfs/dbraw/zinc/09/94/26/1066099426.db2.gz MJHMGDYBXPCBBY-WIYYLYMNSA-N 1 0 479.572 3.376 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001301295051 1066100190 /nfs/dbraw/zinc/10/01/90/1066100190.db2.gz QBRGBUBWELBAKD-WMLDXEAASA-N 1 0 463.380 3.404 20 0 JGADRO COCC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCCC2)CC1 ZINC001301296192 1066101107 /nfs/dbraw/zinc/10/11/07/1066101107.db2.gz WWNNWJQFLAGKKC-UHFFFAOYSA-N 1 0 451.413 3.384 20 0 JGADRO COCC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001301304270 1066108227 /nfs/dbraw/zinc/10/82/27/1066108227.db2.gz MTQLTVWYNOEAPI-UHFFFAOYSA-N 1 0 491.080 3.496 20 0 JGADRO COCC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001301323421 1066119006 /nfs/dbraw/zinc/11/90/06/1066119006.db2.gz ITOJYWOOTCKENP-HSZRJFAPSA-N 1 0 465.614 3.447 20 0 JGADRO COCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001301322855 1066119047 /nfs/dbraw/zinc/11/90/47/1066119047.db2.gz GKVXUIHDSAFFJX-IBGZPJMESA-N 1 0 462.038 3.353 20 0 JGADRO COCC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001301328342 1066121579 /nfs/dbraw/zinc/12/15/79/1066121579.db2.gz DXBJEBGLUXAZHH-UHFFFAOYSA-N 1 0 456.635 3.016 20 0 JGADRO COC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 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COCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001301613017 1066461893 /nfs/dbraw/zinc/46/18/93/1066461893.db2.gz IITDQLUQGPESCN-NRFANRHFSA-N 1 0 478.588 3.093 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001301612960 1066461911 /nfs/dbraw/zinc/46/19/11/1066461911.db2.gz HPULVOKSQWERBX-HBMCJLEFSA-N 1 0 494.681 3.037 20 0 JGADRO COCCC[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCCC2(CCOCC2)C1 ZINC001301614140 1066463982 /nfs/dbraw/zinc/46/39/82/1066463982.db2.gz VKEIYAVIYPZNTN-UHFFFAOYSA-N 1 0 459.610 3.373 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001301614195 1066464438 /nfs/dbraw/zinc/46/44/38/1066464438.db2.gz WJWHQXFLPXWZCQ-RBBKRZOGSA-N 1 0 478.037 3.372 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001301616904 1066466919 /nfs/dbraw/zinc/46/69/19/1066466919.db2.gz FBMJRNXUBOJKJW-MHTWAQMVSA-N 1 0 478.682 3.499 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001301616903 1066466960 /nfs/dbraw/zinc/46/69/60/1066466960.db2.gz FBMJRNXUBOJKJW-JSXRDJHFSA-N 1 0 478.682 3.499 20 0 JGADRO CC(C)(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001302066563 1066467525 /nfs/dbraw/zinc/46/75/25/1066467525.db2.gz WEHSHXLUJICLJJ-UHFFFAOYSA-N 1 0 481.707 3.014 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1 ZINC001301617197 1066468159 /nfs/dbraw/zinc/46/81/59/1066468159.db2.gz HKWMQTGPKFZVAK-KDURUIRLSA-N 1 0 496.722 3.349 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001302066821 1066468718 /nfs/dbraw/zinc/46/87/18/1066468718.db2.gz GRWPSJCHFIBQTE-CZSZKKDXSA-N 1 0 479.666 3.041 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001301617920 1066469295 /nfs/dbraw/zinc/46/92/95/1066469295.db2.gz LCAXITJONXUXLF-BDKRGJGYSA-N 1 0 463.667 3.169 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001301618536 1066471339 /nfs/dbraw/zinc/47/13/39/1066471339.db2.gz PGZVJFYKZARRIY-FGYAAKKASA-N 1 0 496.722 3.347 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCN1CCCCCC1=O ZINC001302068531 1066471756 /nfs/dbraw/zinc/47/17/56/1066471756.db2.gz PXECEDVNBBPVKS-NRFANRHFSA-N 1 0 478.682 3.105 20 0 JGADRO COCCC[N@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001301619297 1066473118 /nfs/dbraw/zinc/47/31/18/1066473118.db2.gz XQIPFKZTZKOQAM-UHFFFAOYSA-N 1 0 479.551 3.264 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001301619476 1066473814 /nfs/dbraw/zinc/47/38/14/1066473814.db2.gz ZJLJGBTZBGXDLY-YTFSRNRJSA-N 1 0 477.694 3.418 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001301619472 1066473904 /nfs/dbraw/zinc/47/39/04/1066473904.db2.gz ZJLJGBTZBGXDLY-DNVJHFABSA-N 1 0 477.694 3.418 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001302071328 1066479362 /nfs/dbraw/zinc/47/93/62/1066479362.db2.gz HVMTUQFQEHWLIP-PCCBWWKXSA-N 1 0 494.681 3.228 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCCO[C@@H](C)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001302071681 1066480556 /nfs/dbraw/zinc/48/05/56/1066480556.db2.gz IRSRVYBRCWJJRO-LEWJYISDSA-N 1 0 481.707 3.369 20 0 JGADRO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001301623816 1066482082 /nfs/dbraw/zinc/48/20/82/1066482082.db2.gz OHJHFMYUBYYYLF-XDKREJCVSA-N 1 0 468.671 3.491 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCCN(c3nccs3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302073780 1066485838 /nfs/dbraw/zinc/48/58/38/1066485838.db2.gz WIBVMCKHEKIKDD-QHAWAJNXSA-N 1 0 491.706 3.296 20 0 JGADRO COCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001301629452 1066489332 /nfs/dbraw/zinc/48/93/32/1066489332.db2.gz GPPGVACVQJZEET-UHFFFAOYSA-N 1 0 489.418 3.273 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001302078537 1066491472 /nfs/dbraw/zinc/49/14/72/1066491472.db2.gz LMWYGECLAPZIIV-NHCUHLMSSA-N 1 0 494.681 3.180 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001302080683 1066497869 /nfs/dbraw/zinc/49/78/69/1066497869.db2.gz UGEFCACQZVSFHC-YADARESESA-N 1 0 463.623 3.040 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001302081112 1066499560 /nfs/dbraw/zinc/49/95/60/1066499560.db2.gz WNXWRMSLTXPNOO-VQTJNVASSA-N 1 0 494.681 3.322 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302081460 1066500715 /nfs/dbraw/zinc/50/07/15/1066500715.db2.gz LKMZJPMQNMCPQZ-FQEVSTJZSA-N 1 0 492.068 3.253 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1csc([C@H](C)OC)n1 ZINC001302082373 1066502772 /nfs/dbraw/zinc/50/27/72/1066502772.db2.gz XUCXTDKOCGWJHU-IRXDYDNUSA-N 1 0 466.652 3.135 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCN(c3cccc(C)c3C)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001302083103 1066504210 /nfs/dbraw/zinc/50/42/10/1066504210.db2.gz UJGSRHLWHQGPBG-JTHBVZDNSA-N 1 0 470.662 3.430 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C1OCCO1 ZINC001302083414 1066504681 /nfs/dbraw/zinc/50/46/81/1066504681.db2.gz ZVJZQNVCSPEDOG-LJQANCHMSA-N 1 0 473.618 3.016 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001301641414 1066505456 /nfs/dbraw/zinc/50/54/56/1066505456.db2.gz IUEGRJNQZGGQPX-XMMPIXPASA-N 1 0 479.604 3.153 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302083714 1066505883 /nfs/dbraw/zinc/50/58/83/1066505883.db2.gz IWBLXTGIYLTAPR-NHCUHLMSSA-N 1 0 491.706 3.214 20 0 JGADRO COCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301641669 1066505918 /nfs/dbraw/zinc/50/59/18/1066505918.db2.gz AFCZIJUCMIFHMX-UHFFFAOYSA-N 1 0 464.655 3.396 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001302084181 1066506927 /nfs/dbraw/zinc/50/69/27/1066506927.db2.gz YXWYEZLOKQZKMO-FCHUYYIVSA-N 1 0 456.635 3.121 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)nc4ccccc43)n2CC[N@@H+](C)C(C)C)C1 ZINC001301648055 1066512659 /nfs/dbraw/zinc/51/26/59/1066512659.db2.gz LJMUDRMTUFBVKN-NRFANRHFSA-N 1 0 463.630 3.447 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccn3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001301648867 1066514022 /nfs/dbraw/zinc/51/40/22/1066514022.db2.gz DVRBBVJIOXAYDN-QPPBQGQZSA-N 1 0 461.614 3.256 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001302089183 1066515500 /nfs/dbraw/zinc/51/55/00/1066515500.db2.gz LLJQSYQLOIXELU-ZWKOTPCHSA-N 1 0 482.000 3.001 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CC1CCOCC1 ZINC001302089784 1066517275 /nfs/dbraw/zinc/51/72/75/1066517275.db2.gz RMYCWXLTHRAGGC-NRFANRHFSA-N 1 0 457.619 3.059 20 0 JGADRO CC(C)(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001302090204 1066517312 /nfs/dbraw/zinc/51/73/12/1066517312.db2.gz WWUMFCDQPZDGCD-UHFFFAOYSA-N 1 0 474.675 3.009 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001301650598 1066517395 /nfs/dbraw/zinc/51/73/95/1066517395.db2.gz BNGBMGALNNHYQZ-OAQYLSRUSA-N 1 0 453.635 3.218 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCCOC1 ZINC001302090443 1066517886 /nfs/dbraw/zinc/51/78/86/1066517886.db2.gz VHAKELVAQPLGGT-QZNHQXDQSA-N 1 0 457.619 3.139 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001302090678 1066518022 /nfs/dbraw/zinc/51/80/22/1066518022.db2.gz WTPXEDIEVIDBMM-HXUWFJFHSA-N 1 0 488.681 3.099 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCc1nc(C(F)(F)F)cs1 ZINC001302090812 1066518090 /nfs/dbraw/zinc/51/80/90/1066518090.db2.gz HAXHQBUTJHOXHM-HZPDHXFCSA-N 1 0 488.580 3.395 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001301651574 1066518174 /nfs/dbraw/zinc/51/81/74/1066518174.db2.gz INTHVNYSZMFSKM-FDDCHVKYSA-N 1 0 477.078 3.340 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302093911 1066522416 /nfs/dbraw/zinc/52/24/16/1066522416.db2.gz XZGWFWBDYRHXTG-SJLPKXTDSA-N 1 0 499.582 3.358 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1ccc(NC(C)=O)nc1 ZINC001302094341 1066522900 /nfs/dbraw/zinc/52/29/00/1066522900.db2.gz QCJQXXQRCRQEFU-KQVJYAISSA-N 1 0 499.660 3.105 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C/C=C\c1ccccc1 ZINC001302094861 1066523674 /nfs/dbraw/zinc/52/36/74/1066523674.db2.gz SLVZIVSRPDYOEL-YASLREEFSA-N 1 0 469.630 3.405 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(C)cc1OC ZINC001302094812 1066523739 /nfs/dbraw/zinc/52/37/39/1066523739.db2.gz RVYGPGBFUAKASM-HXUWFJFHSA-N 1 0 457.619 3.432 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001302094782 1066523765 /nfs/dbraw/zinc/52/37/65/1066523765.db2.gz RCDHUMPADRAUKA-FQEVSTJZSA-N 1 0 494.681 3.324 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C/C=C/c1ccccc1 ZINC001302094858 1066523804 /nfs/dbraw/zinc/52/38/04/1066523804.db2.gz SLVZIVSRPDYOEL-ALQXMYAYSA-N 1 0 469.630 3.405 20 0 JGADRO COCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001301655104 1066524444 /nfs/dbraw/zinc/52/44/44/1066524444.db2.gz UREZAMNWYYPSCP-HXUWFJFHSA-N 1 0 474.675 3.254 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001302096406 1066526162 /nfs/dbraw/zinc/52/61/62/1066526162.db2.gz GUMIWDKKKFLUCX-NHCUHLMSSA-N 1 0 481.707 3.225 20 0 JGADRO COCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001301657169 1066526294 /nfs/dbraw/zinc/52/62/94/1066526294.db2.gz GVOOIMLNQMIHOD-PMACEKPBSA-N 1 0 462.639 3.451 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302096483 1066526972 /nfs/dbraw/zinc/52/69/72/1066526972.db2.gz HLLMWDBDSPJLBE-OTPAQWSUSA-N 1 0 481.682 3.000 20 0 JGADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCc1ccc(F)c(F)c1F ZINC001302097191 1066529036 /nfs/dbraw/zinc/52/90/36/1066529036.db2.gz RXFJCHUTDSMNIT-MRXNPFEDSA-N 1 0 451.537 3.394 20 0 JGADRO COCCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301661574 1066532843 /nfs/dbraw/zinc/53/28/43/1066532843.db2.gz SUSJSUDDGPMMPZ-VXKWHMMOSA-N 1 0 482.673 3.435 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302100448 1066533656 /nfs/dbraw/zinc/53/36/56/1066533656.db2.gz YUPZPZVFHYUZFH-NYUBLWNDSA-N 1 0 477.572 3.280 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302100449 1066533862 /nfs/dbraw/zinc/53/38/62/1066533862.db2.gz YUPZPZVFHYUZFH-TWFHAPMSSA-N 1 0 477.572 3.280 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2CC2([NH+](C)C)CCCC2)C1 ZINC001301663990 1066537380 /nfs/dbraw/zinc/53/73/80/1066537380.db2.gz KJOQWGJRXAUZCH-IBGZPJMESA-N 1 0 474.600 3.326 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001301663796 1066537472 /nfs/dbraw/zinc/53/74/72/1066537472.db2.gz JBOJSECEZVQYFC-YKSBVNFPSA-N 1 0 491.105 3.264 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccccc3)C2)n1CC[NH+]1CCC(C)CC1 ZINC001302103565 1066537573 /nfs/dbraw/zinc/53/75/73/1066537573.db2.gz BIJVQFCEMCKMOW-GGAORHGYSA-N 1 0 457.619 3.312 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3nccs3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302104531 1066538858 /nfs/dbraw/zinc/53/88/58/1066538858.db2.gz DAYNXAIPUUNJOD-NMLBUPMWSA-N 1 0 478.663 3.157 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CC[NH+]1CCCCC1 ZINC001302104546 1066538997 /nfs/dbraw/zinc/53/89/97/1066538997.db2.gz DBQUEMWEORIGKB-AVRDEDQJSA-N 1 0 479.572 3.344 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001302106058 1066540863 /nfs/dbraw/zinc/54/08/63/1066540863.db2.gz UYWFKHSOHCCAPL-GOTSBHOMSA-N 1 0 493.693 3.289 20 0 JGADRO CC(C)(C)c1cc(Cn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)on1 ZINC001302107963 1066544102 /nfs/dbraw/zinc/54/41/02/1066544102.db2.gz JUSCDESIDKCVNJ-UHFFFAOYSA-N 1 0 457.623 3.045 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CC[N@H+]1CC=CCC1 ZINC001302109033 1066547050 /nfs/dbraw/zinc/54/70/50/1066547050.db2.gz SUKFNDGRBFEDKW-KNQAVFIVSA-N 1 0 476.021 3.495 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1C[C@@H](C)[NH+](C)C ZINC001302109036 1066547094 /nfs/dbraw/zinc/54/70/94/1066547094.db2.gz SVXLJLGWHNWWQH-HLIPFELVSA-N 1 0 451.999 3.184 20 0 JGADRO COCCCOC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301672806 1066550975 /nfs/dbraw/zinc/55/09/75/1066550975.db2.gz FDPNDSKGVMHFPO-NRFANRHFSA-N 1 0 490.693 3.047 20 0 JGADRO 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CC(C)(Cn1c(Cc2ccsc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001302350444 1066945313 /nfs/dbraw/zinc/94/53/13/1066945313.db2.gz LCSUGTVEAPGMMG-FQEVSTJZSA-N 1 0 479.716 3.456 20 0 JGADRO CON(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001302350032 1066945335 /nfs/dbraw/zinc/94/53/35/1066945335.db2.gz ZOVFPXUVXYNOKQ-UXHICEINSA-N 1 0 474.606 3.195 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001301915636 1066945396 /nfs/dbraw/zinc/94/53/96/1066945396.db2.gz SXNSFECPSASIKI-GIWBLDEGSA-N 1 0 457.619 3.453 20 0 JGADRO CC(C)(C)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001302351576 1066945704 /nfs/dbraw/zinc/94/57/04/1066945704.db2.gz XWPGNCPDDIUFQU-INIZCTEOSA-N 1 0 458.573 3.202 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N(C)c2ccccc2)C[C@@H]1C ZINC001301915777 1066945899 /nfs/dbraw/zinc/94/58/99/1066945899.db2.gz VDWIVSBYMGJRNN-GIWBLDEGSA-N 1 0 456.635 3.202 20 0 JGADRO 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Cc1nnc(N2CCC(NC(=O)c3ccoc3C)CC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001304006382 1067048753 /nfs/dbraw/zinc/04/87/53/1067048753.db2.gz SQKIAYLJADSJAF-UHFFFAOYSA-N 1 0 480.613 3.266 20 0 JGADRO Cc1occc1C(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001304006390 1067048857 /nfs/dbraw/zinc/04/88/57/1067048857.db2.gz SUKPGJNDQQQPRV-OAHLLOKOSA-N 1 0 471.993 3.244 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1C ZINC001304009414 1067051672 /nfs/dbraw/zinc/05/16/72/1067051672.db2.gz CHFLJOBWUGAOAJ-SFBLDSMTSA-N 1 0 495.672 3.431 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001304009837 1067052408 /nfs/dbraw/zinc/05/24/08/1067052408.db2.gz GONWEYGRSKYDKM-HSZRJFAPSA-N 1 0 479.629 3.322 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302451436 1067052584 /nfs/dbraw/zinc/05/25/84/1067052584.db2.gz HMWLIKGXONUVHW-QFIPXVFZSA-N 1 0 483.057 3.383 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001302453135 1067055379 /nfs/dbraw/zinc/05/53/79/1067055379.db2.gz NVYVWSXZIGQPLI-JOCHJYFZSA-N 1 0 498.672 3.435 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H](C)C[NH+]2CCOCC2)c1C ZINC001304012797 1067056446 /nfs/dbraw/zinc/05/64/46/1067056446.db2.gz HGRQDDHAKMPZAK-LJQANCHMSA-N 1 0 456.635 3.137 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@H+]2CC=CCC2)c1C ZINC001304015582 1067059120 /nfs/dbraw/zinc/05/91/20/1067059120.db2.gz PJALHURABVMGST-OAQYLSRUSA-N 1 0 454.619 3.258 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304015999 1067059228 /nfs/dbraw/zinc/05/92/28/1067059228.db2.gz SGDGZGJUYXZIEC-QFQXNSOFSA-N 1 0 481.645 3.088 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC001304023320 1067068166 /nfs/dbraw/zinc/06/81/66/1067068166.db2.gz LOBRFVUFUCAHFN-MDNUFGMLSA-N 1 0 498.672 3.238 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304023533 1067068940 /nfs/dbraw/zinc/06/89/40/1067068940.db2.gz NKRYCBLGYBIRDD-TYPHKJRUSA-N 1 0 468.646 3.480 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304028525 1067075728 /nfs/dbraw/zinc/07/57/28/1067075728.db2.gz GHWWQJMAGRDUDG-TZIWHRDSSA-N 1 0 456.635 3.290 20 0 JGADRO CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041949 1067085197 /nfs/dbraw/zinc/08/51/97/1067085197.db2.gz AHZPXPPEXDXUCG-MSOLQXFVSA-N 1 0 454.384 3.429 20 0 JGADRO Cc1nc(CN2CCN(c3nnc(-c4cccc(Cl)c4)n3CCOCC[NH+](C)C)CC2)oc1C ZINC001304041774 1067085344 /nfs/dbraw/zinc/08/53/44/1067085344.db2.gz OKGCFKAYBXWCGE-UHFFFAOYSA-N 1 0 488.036 3.104 20 0 JGADRO Cc1nc(CN2CCN(c3nnc(Cc4ccccc4F)n3CC[N@@H+](C)C(C)C)CC2)oc1C ZINC001304044524 1067086967 /nfs/dbraw/zinc/08/69/67/1067086967.db2.gz GEKNGJLIPLNLCY-UHFFFAOYSA-N 1 0 469.609 3.275 20 0 JGADRO Cc1nc(CCn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001304050981 1067093106 /nfs/dbraw/zinc/09/31/06/1067093106.db2.gz VDVRTBMSQSBSAV-XMMPIXPASA-N 1 0 476.691 3.413 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(C2CCCC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001302495254 1067094082 /nfs/dbraw/zinc/09/40/82/1067094082.db2.gz CZVBWVUUVMNSGP-OAQYLSRUSA-N 1 0 461.573 3.434 20 0 JGADRO Cc1nc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)sc1C ZINC001304056541 1067096348 /nfs/dbraw/zinc/09/63/48/1067096348.db2.gz UJIAUGTYMAVFDK-UXHICEINSA-N 1 0 461.680 3.158 20 0 JGADRO Cc1nc(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)sc1C ZINC001304056542 1067096556 /nfs/dbraw/zinc/09/65/56/1067096556.db2.gz UJIAUGTYMAVFDK-VQTJNVASSA-N 1 0 461.680 3.158 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@H](C)CC(C)(C)C2)n1C[C@H](C)[NH+](C)C ZINC001304056825 1067096981 /nfs/dbraw/zinc/09/69/81/1067096981.db2.gz DLWSPUQPCQIJPH-SJORKVTESA-N 1 0 461.680 3.369 20 0 JGADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@H](C)[NH+](C)C ZINC001304057610 1067098859 /nfs/dbraw/zinc/09/88/59/1067098859.db2.gz WZNBWVUJQJOXRV-INIZCTEOSA-N 1 0 488.683 3.341 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCS[C@@H](C(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001304060107 1067103626 /nfs/dbraw/zinc/10/36/26/1067103626.db2.gz WXDDAASKVFFEDT-LJQANCHMSA-N 1 0 493.747 3.465 20 0 JGADRO C[S@@](=O)C1(Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001302507443 1067110541 /nfs/dbraw/zinc/11/05/41/1067110541.db2.gz AHWQBRVYUVWLQN-JGCGQSQUSA-N 1 0 461.651 3.477 20 0 JGADRO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN(C)c1ccccc1)[NH+]1CCCC1 ZINC001302509304 1067114743 /nfs/dbraw/zinc/11/47/43/1067114743.db2.gz CAGVGVOOIUZCRD-HSZRJFAPSA-N 1 0 467.662 3.207 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001302510587 1067118681 /nfs/dbraw/zinc/11/86/81/1067118681.db2.gz MJYJGBCHCPQWNR-QZNHQXDQSA-N 1 0 474.694 3.280 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@H+](C)C2CC2)cnn1C ZINC001304079560 1067124378 /nfs/dbraw/zinc/12/43/78/1067124378.db2.gz OBSHSTMPICUAHN-CYBMUJFWSA-N 1 0 461.412 3.197 20 0 JGADRO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)cnn1C ZINC001304079697 1067124416 /nfs/dbraw/zinc/12/44/16/1067124416.db2.gz PSWJMFNFEMEVNP-OZXSUGGESA-N 1 0 481.645 3.300 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(F)F)[NH+]1CCOCC1 ZINC001302513071 1067126924 /nfs/dbraw/zinc/12/69/24/1067126924.db2.gz HKFDIZGPSQUGTM-MRXNPFEDSA-N 1 0 475.382 3.484 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001304082962 1067130136 /nfs/dbraw/zinc/13/01/36/1067130136.db2.gz YVKVOUVBHAZCEJ-QGZVFWFLSA-N 1 0 462.023 3.242 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC(N)=O)[NH+]1CCOCC1 ZINC001302514926 1067132192 /nfs/dbraw/zinc/13/21/92/1067132192.db2.gz UBZVSVPWOBVMSA-HNAYVOBHSA-N 1 0 483.444 3.309 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCC1 ZINC001302514788 1067132330 /nfs/dbraw/zinc/13/23/30/1067132330.db2.gz SQADXZIKYJSXIM-OAQYLSRUSA-N 1 0 493.027 3.329 20 0 JGADRO Cc1c(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)cnn1C ZINC001304089217 1067133478 /nfs/dbraw/zinc/13/34/78/1067133478.db2.gz SIABTXAMSJKCDF-MJGOQNOKSA-N 1 0 474.654 3.021 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001302515237 1067133505 /nfs/dbraw/zinc/13/35/05/1067133505.db2.gz WHTMXIYKHRWTLS-MDZRGWNJSA-N 1 0 465.440 3.485 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCOCC1 ZINC001302515550 1067133946 /nfs/dbraw/zinc/13/39/46/1067133946.db2.gz LAWUONWEAONCHZ-HXUWFJFHSA-N 1 0 477.535 3.089 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001302515631 1067134526 /nfs/dbraw/zinc/13/45/26/1067134526.db2.gz ZPRPGOYZOGLVKP-RTBURBONSA-N 1 0 481.066 3.127 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001302515935 1067135218 /nfs/dbraw/zinc/13/52/18/1067135218.db2.gz OQZVPBMPHSECPW-SFTDATJTSA-N 1 0 486.665 3.293 20 0 JGADRO CSC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001302517855 1067137393 /nfs/dbraw/zinc/13/73/93/1067137393.db2.gz ANNQSGKNCWUEQP-WOJBJXKFSA-N 1 0 457.692 3.477 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302517958 1067137455 /nfs/dbraw/zinc/13/74/55/1067137455.db2.gz CFRQFXSMHORYTL-QRQLOZEOSA-N 1 0 452.525 3.332 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001302517710 1067137503 /nfs/dbraw/zinc/13/75/03/1067137503.db2.gz BBTDXEGYJWPCPN-QFIPXVFZSA-N 1 0 492.665 3.065 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302518753 1067138533 /nfs/dbraw/zinc/13/85/33/1067138533.db2.gz IATCIDSYJDRSIA-PKOBYXMFSA-N 1 0 453.557 3.466 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+]1CCCC1 ZINC001302519203 1067139050 /nfs/dbraw/zinc/13/90/50/1067139050.db2.gz MBTNVGPBRIGYIP-QHCPKHFHSA-N 1 0 469.678 3.487 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302520323 1067140168 /nfs/dbraw/zinc/14/01/68/1067140168.db2.gz UGWBCTINGASPGX-AZUAARDMSA-N 1 0 457.623 3.497 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001302521462 1067141135 /nfs/dbraw/zinc/14/11/35/1067141135.db2.gz XZGGAGBLFICVTO-RBBKRZOGSA-N 1 0 499.660 3.190 20 0 JGADRO Cc1c(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1CC(C)C ZINC001304099306 1067142217 /nfs/dbraw/zinc/14/22/17/1067142217.db2.gz XEIFUOXLXILLJU-XMMPIXPASA-N 1 0 492.672 3.336 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[NH+]1CCCC1 ZINC001302522306 1067142224 /nfs/dbraw/zinc/14/22/24/1067142224.db2.gz DURKZGMJSGEKDS-WVYXNTRSSA-N 1 0 459.660 3.276 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1)[NH+]1CCCC1 ZINC001302522910 1067142822 /nfs/dbraw/zinc/14/28/22/1067142822.db2.gz GQAKJWIQHRPJAG-WOJBJXKFSA-N 1 0 462.639 3.306 20 0 JGADRO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001302525070 1067146518 /nfs/dbraw/zinc/14/65/18/1067146518.db2.gz ANEFTCFATCQADJ-FHWLQOOXSA-N 1 0 494.706 3.401 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001302525176 1067147279 /nfs/dbraw/zinc/14/72/79/1067147279.db2.gz QSYLSSFUOVMYDW-OTWHNJEPSA-N 1 0 459.557 3.450 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302525247 1067147351 /nfs/dbraw/zinc/14/73/51/1067147351.db2.gz LYCADPPLIGCNJB-YADHBBJMSA-N 1 0 483.661 3.488 20 0 JGADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F)[NH+]1CCCC1 ZINC001302526174 1067149980 /nfs/dbraw/zinc/14/99/80/1067149980.db2.gz VEIAUSAGNZDPHT-KRWDZBQOSA-N 1 0 452.598 3.480 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001302526364 1067150506 /nfs/dbraw/zinc/15/05/06/1067150506.db2.gz TWQKNXCRYVKYFJ-QFIPXVFZSA-N 1 0 482.677 3.014 20 0 JGADRO CC(C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001302529120 1067157986 /nfs/dbraw/zinc/15/79/86/1067157986.db2.gz RXZAZLBQOMFFAF-FPOVZHCZSA-N 1 0 496.077 3.254 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302532257 1067161868 /nfs/dbraw/zinc/16/18/68/1067161868.db2.gz XDZHOWNDTDYNAF-RBUKOAKNSA-N 1 0 450.628 3.209 20 0 JGADRO CC(C)c1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC001302537631 1067170349 /nfs/dbraw/zinc/17/03/49/1067170349.db2.gz ZRCHSUKIGYSSGT-NRFANRHFSA-N 1 0 454.667 3.447 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CC=CCC1 ZINC001304135234 1067173791 /nfs/dbraw/zinc/17/37/91/1067173791.db2.gz FDSDUFBLMSFWRB-UHFFFAOYSA-N 1 0 459.598 3.218 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304135673 1067174245 /nfs/dbraw/zinc/17/42/45/1067174245.db2.gz HUQPIGIHVYYVEN-WOJBJXKFSA-N 1 0 454.619 3.347 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304135959 1067174261 /nfs/dbraw/zinc/17/42/61/1067174261.db2.gz KGSGJNWALONSRM-KNQAVFIVSA-N 1 0 495.672 3.213 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)[NH+](C)C ZINC001304136789 1067176122 /nfs/dbraw/zinc/17/61/22/1067176122.db2.gz YKEVAMQMWQIHSN-FQEVSTJZSA-N 1 0 474.613 3.158 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H](C)[NH+](C)C ZINC001304138427 1067178767 /nfs/dbraw/zinc/17/87/67/1067178767.db2.gz FLOVIBLVOLJNGC-SJORKVTESA-N 1 0 472.055 3.119 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[NH+]1CCCC1 ZINC001304139125 1067180002 /nfs/dbraw/zinc/18/00/02/1067180002.db2.gz LUWNTSRPUQRLCD-MOPGFXCFSA-N 1 0 475.037 3.451 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC[NH+]1CCCCC1 ZINC001304141552 1067183437 /nfs/dbraw/zinc/18/34/37/1067183437.db2.gz QHXMDYZXMFBCKD-OALUTQOASA-N 1 0 475.037 3.486 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001304142622 1067184747 /nfs/dbraw/zinc/18/47/47/1067184747.db2.gz WPBGSJMJVULDRN-KPFFTGBYSA-N 1 0 475.037 3.340 20 0 JGADRO CS[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001302548313 1067184708 /nfs/dbraw/zinc/18/47/08/1067184708.db2.gz ORVQAPSXLAKEJJ-GOSISDBHSA-N 1 0 492.715 3.012 20 0 JGADRO CC(C)c1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+](C)C2CCCC2)cn1 ZINC001302551153 1067187280 /nfs/dbraw/zinc/18/72/80/1067187280.db2.gz AHXGYTFAZYAOFZ-UHFFFAOYSA-N 1 0 477.617 3.350 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCC[NH+]3CCC(O)CC3)CC2)c(C)o1 ZINC001304145697 1067188433 /nfs/dbraw/zinc/18/84/33/1067188433.db2.gz GVNAKXOCZKXMKF-UHFFFAOYSA-N 1 0 486.661 3.031 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccccn4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)no1 ZINC001304146246 1067189611 /nfs/dbraw/zinc/18/96/11/1067189611.db2.gz QBNLOPIILDJVFS-FQEVSTJZSA-N 1 0 480.617 3.012 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)C[NH+]3CCCC3)CC2)no1 ZINC001304146771 1067190768 /nfs/dbraw/zinc/19/07/68/1067190768.db2.gz JNKOZLGNSDPKPR-SFHVURJKSA-N 1 0 471.650 3.294 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(Cc4ccccn4)n3CC[N@@H+](C)C(C)C)CC2)c(C)o1 ZINC001304146786 1067190843 /nfs/dbraw/zinc/19/08/43/1067190843.db2.gz JWPXICRRHMIRTH-UHFFFAOYSA-N 1 0 479.629 3.213 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)CC2)no1 ZINC001304147067 1067191882 /nfs/dbraw/zinc/19/18/82/1067191882.db2.gz WUIXHEGBQSVTRC-UHFFFAOYSA-N 1 0 457.623 3.219 20 0 JGADRO CS[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001302560084 1067200505 /nfs/dbraw/zinc/20/05/05/1067200505.db2.gz BMAALHWLAGKEHA-KRWDZBQOSA-N 1 0 474.704 3.183 20 0 JGADRO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001302560424 1067201233 /nfs/dbraw/zinc/20/12/33/1067201233.db2.gz DOWZPYWXOOQVET-IMSXRSKXSA-N 1 0 484.714 3.308 20 0 JGADRO CC(C)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302567939 1067207283 /nfs/dbraw/zinc/20/72/83/1067207283.db2.gz CIFLWSYVXIFGEW-DNQXCXABSA-N 1 0 481.689 3.449 20 0 JGADRO CS[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001302568009 1067207409 /nfs/dbraw/zinc/20/74/09/1067207409.db2.gz NZRFRFCSRRUTSY-UYAOXDASSA-N 1 0 498.619 3.162 20 0 JGADRO CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001302569259 1067208653 /nfs/dbraw/zinc/20/86/53/1067208653.db2.gz GUKREVAZHGGYDN-LEWJYISDSA-N 1 0 480.579 3.375 20 0 JGADRO CS[C@H](C)Cn1c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001302570954 1067210137 /nfs/dbraw/zinc/21/01/37/1067210137.db2.gz UGYQYCHLKWPMKB-FFHOAYQKSA-N 1 0 494.750 3.065 20 0 JGADRO Cc1nc(COc2ccccc2C(=O)N2CCC[N@H+](Cc3ccccc3)CCOCC2)no1 ZINC001304163230 1067210245 /nfs/dbraw/zinc/21/02/45/1067210245.db2.gz CFYUJGRCHIXWOD-UHFFFAOYSA-N 1 0 450.539 3.322 20 0 JGADRO CC(C)c1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302571785 1067211677 /nfs/dbraw/zinc/21/16/77/1067211677.db2.gz GOHZSJMCHQVGNQ-OAQYLSRUSA-N 1 0 469.678 3.083 20 0 JGADRO CC(C)c1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302577121 1067214771 /nfs/dbraw/zinc/21/47/71/1067214771.db2.gz JIGFGQLXPLGHGW-UHFFFAOYSA-N 1 0 464.662 3.309 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001304168299 1067215091 /nfs/dbraw/zinc/21/50/91/1067215091.db2.gz GMHXIQIDRQDECW-JOCHJYFZSA-N 1 0 471.646 3.448 20 0 JGADRO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)C(C)(C)C ZINC001302577682 1067215689 /nfs/dbraw/zinc/21/56/89/1067215689.db2.gz KEHYFQDWJMOHAW-RBBKRZOGSA-N 1 0 489.734 3.282 20 0 JGADRO CC(C)c1nnc(N(C)Cc2ccccc2N2CCOCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302579144 1067216682 /nfs/dbraw/zinc/21/66/82/1067216682.db2.gz KSIACMIWAPTMIC-DEOSSOPVSA-N 1 0 458.676 3.312 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001304174758 1067223461 /nfs/dbraw/zinc/22/34/61/1067223461.db2.gz LOGUKBCNSUHPQE-UHFFFAOYSA-N 1 0 498.672 3.067 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001304175512 1067224287 /nfs/dbraw/zinc/22/42/87/1067224287.db2.gz YVDXLZUOPMFKDV-OAQYLSRUSA-N 1 0 456.635 3.152 20 0 JGADRO CS[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C ZINC001302587809 1067224659 /nfs/dbraw/zinc/22/46/59/1067224659.db2.gz GBKWYLJEJQOMRN-TZIWHRDSSA-N 1 0 458.676 3.200 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001304178245 1067227302 /nfs/dbraw/zinc/22/73/02/1067227302.db2.gz WDBFVSQONRNYFV-NRFANRHFSA-N 1 0 489.686 3.219 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 ZINC001304178835 1067228276 /nfs/dbraw/zinc/22/82/76/1067228276.db2.gz NXDYJPCHRKUZDC-OAQYLSRUSA-N 1 0 489.686 3.219 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)N2CCOCC2)c1 ZINC001304179561 1067228800 /nfs/dbraw/zinc/22/88/00/1067228800.db2.gz WSUSFMRKWFKCJF-HSZRJFAPSA-N 1 0 470.662 3.115 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(C(N)=O)CCCC2)c1 ZINC001304181998 1067231116 /nfs/dbraw/zinc/23/11/16/1067231116.db2.gz HHHRDCDWQXJZMY-UHFFFAOYSA-N 1 0 468.646 3.440 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC2([NH+](C)C)CCC2)c1 ZINC001304183240 1067233833 /nfs/dbraw/zinc/23/38/33/1067233833.db2.gz WIIWFPUEHXCGMS-UHFFFAOYSA-N 1 0 468.646 3.263 20 0 JGADRO CSC1(Cn2c(C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)CC[NH+](C)CC1 ZINC001302597439 1067234272 /nfs/dbraw/zinc/23/42/72/1067234272.db2.gz JSFRIVBYIIRLSE-UHFFFAOYSA-N 1 0 457.570 3.471 20 0 JGADRO CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC[NH+](C)CC1 ZINC001302597445 1067234335 /nfs/dbraw/zinc/23/43/35/1067234335.db2.gz JYFJADBEAKIZNH-MRXNPFEDSA-N 1 0 463.051 3.093 20 0 JGADRO CSC1(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC[NH+](C)CC1 ZINC001302599094 1067235333 /nfs/dbraw/zinc/23/53/33/1067235333.db2.gz DDWIIWWHIIWCDP-KRWDZBQOSA-N 1 0 463.051 3.128 20 0 JGADRO Cc1cc(C)cc(OCCn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC001304184804 1067235673 /nfs/dbraw/zinc/23/56/73/1067235673.db2.gz HUIJCAFGYJVIKG-VWLOTQADSA-N 1 0 484.689 3.329 20 0 JGADRO CSC1(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC[NH+](C)CC1 ZINC001302601550 1067238245 /nfs/dbraw/zinc/23/82/45/1067238245.db2.gz QSJYAJIKKWEXHY-DLBZAZTESA-N 1 0 478.638 3.085 20 0 JGADRO Cc1cc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001304191216 1067241367 /nfs/dbraw/zinc/24/13/67/1067241367.db2.gz YEKDQYQAWGBYAH-LJQANCHMSA-N 1 0 463.630 3.494 20 0 JGADRO CSC1(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001302608680 1067242710 /nfs/dbraw/zinc/24/27/10/1067242710.db2.gz MMMRATLUBMRSST-QGZVFWFLSA-N 1 0 475.663 3.204 20 0 JGADRO CSC1(Cn2c(-c3cnccn3)nnc2N(C)CCOc2ccccc2)CC[NH+](C)CC1 ZINC001302608726 1067242782 /nfs/dbraw/zinc/24/27/82/1067242782.db2.gz NGBIVGFVMINXGZ-UHFFFAOYSA-N 1 0 453.616 3.078 20 0 JGADRO CSC1(Cn2c(-c3cnn(C)c3)nnc2N(C)CCOc2cccc(C)c2)CC[NH+](C)CC1 ZINC001302609173 1067243107 /nfs/dbraw/zinc/24/31/07/1067243107.db2.gz XNCWIRIFWYSDOB-UHFFFAOYSA-N 1 0 469.659 3.330 20 0 JGADRO COC(=O)C[C@@H](NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(I)c1 ZINC001302611305 1067244512 /nfs/dbraw/zinc/24/45/12/1067244512.db2.gz SFRRJKUALKREAC-BHYGNILZSA-N 1 0 458.340 3.132 20 0 JGADRO CSC1(Cn2c(CC(C)C)nnc2N2CCC(NC(=O)C(C)C)CC2)CC[NH+](C)CC1 ZINC001302611922 1067245449 /nfs/dbraw/zinc/24/54/49/1067245449.db2.gz RMGUTBSXMXQAQD-UHFFFAOYSA-N 1 0 450.697 3.045 20 0 JGADRO COC(=O)C[C@@H](NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(I)c1 ZINC001302611310 1067245513 /nfs/dbraw/zinc/24/55/13/1067245513.db2.gz SFRRJKUALKREAC-USXIJHARSA-N 1 0 458.340 3.132 20 0 JGADRO Cc1cc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@@H+](C)C(C)C)c2ccccc2n1 ZINC001304197681 1067246930 /nfs/dbraw/zinc/24/69/30/1067246930.db2.gz WXGYAUSTQCPIMG-UHFFFAOYSA-N 1 0 463.630 3.447 20 0 JGADRO Cc1cc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+]2CCCC2)no1 ZINC001304199265 1067249565 /nfs/dbraw/zinc/24/95/65/1067249565.db2.gz WETXMXQFJFPMPZ-DEOSSOPVSA-N 1 0 460.623 3.374 20 0 JGADRO CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001302616496 1067249917 /nfs/dbraw/zinc/24/99/17/1067249917.db2.gz DUWKLIOPYQYETP-GHTZIAJQSA-N 1 0 481.645 3.298 20 0 JGADRO CSC1(Cn2c(Cc3ccccc3C)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CC[NH+](C)CC1 ZINC001302616966 1067250393 /nfs/dbraw/zinc/25/03/93/1067250393.db2.gz KCRCKTWYCPMLKV-UXHICEINSA-N 1 0 493.743 3.263 20 0 JGADRO CSC1(Cn2c(Cc3ccncc3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC001302622931 1067252700 /nfs/dbraw/zinc/25/27/00/1067252700.db2.gz OHINKKISXGWPPI-GOSISDBHSA-N 1 0 497.635 3.164 20 0 JGADRO CSC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CC(C)(C)OC[C@@H]2C)CC[NH+](C)CC1 ZINC001302623460 1067253272 /nfs/dbraw/zinc/25/32/72/1067253272.db2.gz CEXZOBBMULTLNA-KRWDZBQOSA-N 1 0 492.715 3.101 20 0 JGADRO CSC1(Cn2c(N(C)Cc3ccccn3)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001302625356 1067255531 /nfs/dbraw/zinc/25/55/31/1067255531.db2.gz PVEPBZWIUNOTRY-XMMPIXPASA-N 1 0 474.675 3.178 20 0 JGADRO CSC1(Cn2c(N3C[C@@H](C)O[C@@]4(CCCOC4)C3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302625676 1067255938 /nfs/dbraw/zinc/25/59/38/1067255938.db2.gz VEHRXJJZRBFFTN-GCJKJVERSA-N 1 0 451.681 3.177 20 0 JGADRO CSC1(Cn2c(CC3CCCC3)nnc2N2CCN(CCOC(C)C)CC2)CC[NH+](C)CC1 ZINC001302625948 1067256014 /nfs/dbraw/zinc/25/60/14/1067256014.db2.gz IVJRAUQFRWOMHA-UHFFFAOYSA-N 1 0 478.751 3.385 20 0 JGADRO 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Cc1cc(CN2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)CC2)no1 ZINC001304229554 1067266791 /nfs/dbraw/zinc/26/67/91/1067266791.db2.gz CZMHUZLHODYBAY-QFIPXVFZSA-N 1 0 457.667 3.463 20 0 JGADRO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001302639675 1067269130 /nfs/dbraw/zinc/26/91/30/1067269130.db2.gz RAHBELFEXQEEKT-MGBGTMOVSA-N 1 0 473.687 3.410 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCNC(=O)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001304232217 1067269679 /nfs/dbraw/zinc/26/96/79/1067269679.db2.gz DQIBRZJEYGBJDE-UHFFFAOYSA-N 1 0 489.064 3.452 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304232448 1067270163 /nfs/dbraw/zinc/27/01/63/1067270163.db2.gz QYGOBSOHYFZDAS-CPJSRVTESA-N 1 0 492.064 3.181 20 0 JGADRO CSc1cc(Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)ccn1 ZINC001302644601 1067273137 /nfs/dbraw/zinc/27/31/37/1067273137.db2.gz CUQZMDFCXDAJKX-DEOSSOPVSA-N 1 0 474.675 3.262 20 0 JGADRO CSc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001302648345 1067276098 /nfs/dbraw/zinc/27/60/98/1067276098.db2.gz AHNXWTWVKLLSJS-UHFFFAOYSA-N 1 0 456.660 3.286 20 0 JGADRO Cc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001304246165 1067281730 /nfs/dbraw/zinc/28/17/30/1067281730.db2.gz VCCORPOFEIKBTM-UHFFFAOYSA-N 1 0 478.645 3.124 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001302654369 1067281921 /nfs/dbraw/zinc/28/19/21/1067281921.db2.gz HFMWYSKHERSRPG-FQEVSTJZSA-N 1 0 488.702 3.004 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302654295 1067282140 /nfs/dbraw/zinc/28/21/40/1067282140.db2.gz GBQBNLVXGWYCQP-RTWAWAEBSA-N 1 0 478.682 3.380 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc(-c3cccn3C)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001304250199 1067285248 /nfs/dbraw/zinc/28/52/48/1067285248.db2.gz OPWXCWXBRVMYJO-UHFFFAOYSA-N 1 0 466.630 3.343 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC[NH+](C)C)C1 ZINC001302663537 1067290351 /nfs/dbraw/zinc/29/03/51/1067290351.db2.gz NFHXUWMLJDNKRS-OAQYLSRUSA-N 1 0 474.675 3.447 20 0 JGADRO Cc1ccc(C(=O)N2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@H](C)[NH+](C)C)CC2)cc1 ZINC001304255784 1067290989 /nfs/dbraw/zinc/29/09/89/1067290989.db2.gz JXDLTUOYSYYHNO-GOSISDBHSA-N 1 0 468.005 3.214 20 0 JGADRO Cc1ccc(C(=O)N2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](C)[NH+](C)C)CC2)cc1 ZINC001304255785 1067291443 /nfs/dbraw/zinc/29/14/43/1067291443.db2.gz JXDLTUOYSYYHNO-SFHVURJKSA-N 1 0 468.005 3.214 20 0 JGADRO CC(C)c1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001302665572 1067293034 /nfs/dbraw/zinc/29/30/34/1067293034.db2.gz WKRPBNACCPJZRT-QHCPKHFHSA-N 1 0 452.647 3.413 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001302667703 1067294744 /nfs/dbraw/zinc/29/47/44/1067294744.db2.gz YPTQANZKUVBKET-VAMGGRTRSA-N 1 0 486.752 3.122 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001302667359 1067294858 /nfs/dbraw/zinc/29/48/58/1067294858.db2.gz XVBHNRHXNZWXSY-SGIRGMQISA-N 1 0 495.734 3.397 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001302667720 1067295099 /nfs/dbraw/zinc/29/50/99/1067295099.db2.gz YSZMBLKNTKLWSU-LLBVYWAGSA-N 1 0 463.623 3.346 20 0 JGADRO CC(C)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001302668305 1067295213 /nfs/dbraw/zinc/29/52/13/1067295213.db2.gz IHBNVOBDPBLGGD-UHFFFAOYSA-N 1 0 470.622 3.199 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001302670174 1067296224 /nfs/dbraw/zinc/29/62/24/1067296224.db2.gz ZYTSHCPFFJRJDB-FQEVSTJZSA-N 1 0 476.666 3.350 20 0 JGADRO Cc1ccc(C(=O)NC2CCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC001304261094 1067296327 /nfs/dbraw/zinc/29/63/27/1067296327.db2.gz ZJKBLEHPZOYPGW-IRXDYDNUSA-N 1 0 474.675 3.243 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302670982 1067296657 /nfs/dbraw/zinc/29/66/57/1067296657.db2.gz JDOFLAWMJVKUMD-QHCPKHFHSA-N 1 0 477.078 3.455 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302670791 1067296808 /nfs/dbraw/zinc/29/68/08/1067296808.db2.gz DZAFVKAWEVYPHM-UHFFFAOYSA-N 1 0 456.635 3.085 20 0 JGADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC001302673222 1067298863 /nfs/dbraw/zinc/29/88/63/1067298863.db2.gz KTLVLKRSARYUSN-PKTZIBPZSA-N 1 0 453.583 3.419 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001302673378 1067298885 /nfs/dbraw/zinc/29/88/85/1067298885.db2.gz BSDGEILUFZNMPP-UHFFFAOYSA-N 1 0 468.650 3.343 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001302674154 1067299782 /nfs/dbraw/zinc/29/97/82/1067299782.db2.gz JSYHLGLVGHEYHI-IBGZPJMESA-N 1 0 494.562 3.134 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304267864 1067300650 /nfs/dbraw/zinc/30/06/50/1067300650.db2.gz BDCRAIDEXOHPAK-SANMLTNESA-N 1 0 468.646 3.346 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001304267944 1067300924 /nfs/dbraw/zinc/30/09/24/1067300924.db2.gz CNAVNMLNHINNHB-OAQYLSRUSA-N 1 0 468.646 3.477 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302675596 1067301235 /nfs/dbraw/zinc/30/12/35/1067301235.db2.gz ZFZARVUASWZVFA-UHFFFAOYSA-N 1 0 452.647 3.415 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[NH+]2CCCCC2)c1 ZINC001304268675 1067302310 /nfs/dbraw/zinc/30/23/10/1067302310.db2.gz NPJVZHCQPCOBFU-AREMUKBSSA-N 1 0 468.646 3.477 20 0 JGADRO Cc1ccc([C@@H](C)Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001304271487 1067306874 /nfs/dbraw/zinc/30/68/74/1067306874.db2.gz FWSVHCDDAQQBFM-NRFANRHFSA-N 1 0 452.647 3.432 20 0 JGADRO CC(C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302681470 1067307211 /nfs/dbraw/zinc/30/72/11/1067307211.db2.gz TZGDSYVKEVIDNU-UHFFFAOYSA-N 1 0 462.042 3.012 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCNC(=O)C3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001304272745 1067308707 /nfs/dbraw/zinc/30/87/07/1067308707.db2.gz MZZYMQRYMNFRON-UHFFFAOYSA-N 1 0 468.646 3.490 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnccn2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001304274348 1067311273 /nfs/dbraw/zinc/31/12/73/1067311273.db2.gz LMIWADFIGGZFOM-QHCPKHFHSA-N 1 0 459.602 3.333 20 0 JGADRO Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001304274358 1067311349 /nfs/dbraw/zinc/31/13/49/1067311349.db2.gz LTEBFUMPDQBMJN-XZOQPEGZSA-N 1 0 484.645 3.462 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304274667 1067311642 /nfs/dbraw/zinc/31/16/42/1067311642.db2.gz QVQHQRKTYRMLII-WOJBJXKFSA-N 1 0 477.675 3.252 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccco3)C2)[NH+](C)C)cc1 ZINC001304274979 1067312382 /nfs/dbraw/zinc/31/23/82/1067312382.db2.gz OWYMQWDOZVDKQY-NRSPTQNISA-N 1 0 486.642 3.087 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC(C)C)[NH+]2CCCC2)cc1 ZINC001304275370 1067312826 /nfs/dbraw/zinc/31/28/26/1067312826.db2.gz PLBIXLDCJMRQMO-FPOVZHCZSA-N 1 0 462.664 3.126 20 0 JGADRO CSCc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001302689379 1067314133 /nfs/dbraw/zinc/31/41/33/1067314133.db2.gz LJSJCDWGQFAUFT-OAQYLSRUSA-N 1 0 491.727 3.402 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001302689544 1067314303 /nfs/dbraw/zinc/31/43/03/1067314303.db2.gz MFMAQAFVNSUPOA-OAQYLSRUSA-N 1 0 493.622 3.292 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001302690100 1067314821 /nfs/dbraw/zinc/31/48/21/1067314821.db2.gz PKRGIBGUHQZQEE-VWNXMTODSA-N 1 0 481.689 3.227 20 0 JGADRO Cc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ncc(Cl)n2C)[NH+](C)C)cc1 ZINC001304277868 1067317033 /nfs/dbraw/zinc/31/70/33/1067317033.db2.gz HIMNMFWLJHTUEC-LJQANCHMSA-N 1 0 485.036 3.035 20 0 JGADRO Cc1ccc([C@@H](Cn2c(N3CC[C@@H](CN4CCOCC4)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001304278089 1067317300 /nfs/dbraw/zinc/31/73/00/1067317300.db2.gz JVQOUWHCCJZPOU-JTHBVZDNSA-N 1 0 454.663 3.345 20 0 JGADRO Cc1ccc(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001304278355 1067317767 /nfs/dbraw/zinc/31/77/67/1067317767.db2.gz NRSKGOHSDXYCHE-UHFFFAOYSA-N 1 0 469.678 3.479 20 0 JGADRO Cc1ccc([C@@H](Cn2c(N3CCCOCC3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001304278390 1067318184 /nfs/dbraw/zinc/31/81/84/1067318184.db2.gz ONEZEOHOYSARFP-RDGATRHJSA-N 1 0 457.619 3.157 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001304278542 1067318251 /nfs/dbraw/zinc/31/82/51/1067318251.db2.gz SBHSJWDJVGNLFA-HBMCJLEFSA-N 1 0 477.675 3.216 20 0 JGADRO 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CSCCCN(C)c1nnc(CN2CCCC2=O)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001302794387 1067384945 /nfs/dbraw/zinc/38/49/45/1067384945.db2.gz MNONIGUMNXCKQC-UHFFFAOYSA-N 1 0 480.748 3.342 20 0 JGADRO CSCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302798806 1067387763 /nfs/dbraw/zinc/38/77/63/1067387763.db2.gz CBDAJHFAHPZBEE-UHFFFAOYSA-N 1 0 494.731 3.259 20 0 JGADRO CSCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001302799103 1067388041 /nfs/dbraw/zinc/38/80/41/1067388041.db2.gz HDDGONLUPVTNHC-UHFFFAOYSA-N 1 0 479.720 3.078 20 0 JGADRO CSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001302799629 1067388696 /nfs/dbraw/zinc/38/86/96/1067388696.db2.gz PUIFTGSKPUBTMM-LJQANCHMSA-N 1 0 463.673 3.166 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC001302801894 1067390896 /nfs/dbraw/zinc/39/08/96/1067390896.db2.gz BIESWJXXRSJCIT-UGKGYDQZSA-N 1 0 472.609 3.207 20 0 JGADRO CSCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302803365 1067391827 /nfs/dbraw/zinc/39/18/27/1067391827.db2.gz RQAIZMNZGBVEBC-UHFFFAOYSA-N 1 0 451.040 3.295 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC001302804363 1067392573 /nfs/dbraw/zinc/39/25/73/1067392573.db2.gz POIHXBTZWBJCEM-NQIIRXRSSA-N 1 0 460.598 3.110 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C)C(=O)C1)[NH+](C)C ZINC001302807175 1067394706 /nfs/dbraw/zinc/39/47/06/1067394706.db2.gz CNHJKKCQTFRCSH-MRXNPFEDSA-N 1 0 481.414 3.101 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CNC(=O)C2)CC1)[NH+](C)C ZINC001302807442 1067394984 /nfs/dbraw/zinc/39/49/84/1067394984.db2.gz GAOHGCOHQPCXAI-GOSISDBHSA-N 1 0 460.026 3.076 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001302807642 1067395249 /nfs/dbraw/zinc/39/52/49/1067395249.db2.gz HJYCBAYEVIDQFL-HSALFYBXSA-N 1 0 463.026 3.354 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001302808839 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1067399619 /nfs/dbraw/zinc/39/96/19/1067399619.db2.gz PJBCHZNXRXMHLK-IFMALSPDSA-N 1 0 456.635 3.338 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1)[NH+](C)C ZINC001302816644 1067403759 /nfs/dbraw/zinc/40/37/59/1067403759.db2.gz ALCIQWXXHDTUBC-CQOQZXRMSA-N 1 0 471.646 3.433 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001302817389 1067404767 /nfs/dbraw/zinc/40/47/67/1067404767.db2.gz DCLOEMLOPUYKIR-BURNTYAHSA-N 1 0 494.681 3.176 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+](C)C ZINC001302818058 1067405803 /nfs/dbraw/zinc/40/58/03/1067405803.db2.gz MBMHDFONDSBMOJ-CEXWTWQISA-N 1 0 483.686 3.499 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001302818197 1067406057 /nfs/dbraw/zinc/40/60/57/1067406057.db2.gz HTRWOXRVMFPTJX-DEOSSOPVSA-N 1 0 481.689 3.469 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1)[NH+](C)C ZINC001302820582 1067408432 /nfs/dbraw/zinc/40/84/32/1067408432.db2.gz QOUHZUUNHITMBS-QZNHQXDQSA-N 1 0 457.619 3.043 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001302820907 1067408739 /nfs/dbraw/zinc/40/87/39/1067408739.db2.gz VHINEUGFJYURMP-FGZHOGPDSA-N 1 0 460.667 3.477 20 0 JGADRO CC(C)C[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001302821183 1067409131 /nfs/dbraw/zinc/40/91/31/1067409131.db2.gz IAMBEOJAGQWBNJ-OFNKIYASSA-N 1 0 451.681 3.002 20 0 JGADRO CC(C)C[C@@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1)[NH+](C)C ZINC001302821162 1067409218 /nfs/dbraw/zinc/40/92/18/1067409218.db2.gz HVDWLXKIYODGHI-QFIPXVFZSA-N 1 0 456.610 3.308 20 0 JGADRO CC(C)C[C@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1)[NH+](C)C ZINC001302821161 1067409235 /nfs/dbraw/zinc/40/92/35/1067409235.db2.gz HVDWLXKIYODGHI-JOCHJYFZSA-N 1 0 456.610 3.308 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001302821029 1067409257 /nfs/dbraw/zinc/40/92/57/1067409257.db2.gz TVATUONUBMTBAJ-NHCUHLMSSA-N 1 0 490.643 3.282 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)[NH+](C)C ZINC001302821211 1067409275 /nfs/dbraw/zinc/40/92/75/1067409275.db2.gz UGKLVJKAPYEALK-MOPGFXCFSA-N 1 0 489.615 3.164 20 0 JGADRO Cc1ccc(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001304370132 1067409808 /nfs/dbraw/zinc/40/98/08/1067409808.db2.gz FVRNPUPICBBMRK-QFIPXVFZSA-N 1 0 492.690 3.196 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[NH+](C)C ZINC001302821401 1067410004 /nfs/dbraw/zinc/41/00/04/1067410004.db2.gz XNNDARHJKXGVAC-HSALFYBXSA-N 1 0 484.649 3.015 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[NH+](C)C ZINC001302821403 1067410068 /nfs/dbraw/zinc/41/00/68/1067410068.db2.gz XNNDARHJKXGVAC-ZCNNSNEGSA-N 1 0 484.649 3.015 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3([NH+](C)C)CCC[C@@H](C)C3)CC2=O)cc1 ZINC001304372473 1067410202 /nfs/dbraw/zinc/41/02/02/1067410202.db2.gz YYFFLIBVYMMXNI-ZBLYBZFDSA-N 1 0 495.672 3.088 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)CC2=O)cc1 ZINC001304372051 1067410211 /nfs/dbraw/zinc/41/02/11/1067410211.db2.gz UHGDNTBNGFKASA-HSZRJFAPSA-N 1 0 495.672 3.088 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001302821707 1067410513 /nfs/dbraw/zinc/41/05/13/1067410513.db2.gz XVDHHDXORGBLRC-HSZRJFAPSA-N 1 0 478.645 3.007 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1)[NH+](C)C ZINC001302822022 1067410958 /nfs/dbraw/zinc/41/09/58/1067410958.db2.gz ZVJUUYUAQPWVGH-DHIUTWEWSA-N 1 0 470.662 3.231 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1)[NH+](C)C ZINC001302822351 1067411439 /nfs/dbraw/zinc/41/14/39/1067411439.db2.gz NDKSLLNRZLIVEE-IFMALSPDSA-N 1 0 454.619 3.424 20 0 JGADRO CC(C)C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1)[NH+](C)C ZINC001302823191 1067411839 /nfs/dbraw/zinc/41/18/39/1067411839.db2.gz REQKKXDTGHAIEV-FQEVSTJZSA-N 1 0 486.636 3.421 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001302822958 1067411895 /nfs/dbraw/zinc/41/18/95/1067411895.db2.gz QLKHFJXKWAIGOY-IEBWSBKVSA-N 1 0 463.026 3.154 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001302822887 1067411899 /nfs/dbraw/zinc/41/18/99/1067411899.db2.gz PJHMCFMOYZVPCC-FQEVSTJZSA-N 1 0 492.594 3.177 20 0 JGADRO CC(C)CC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001302823580 1067412475 /nfs/dbraw/zinc/41/24/75/1067412475.db2.gz AJYMXYZWTWFHHD-SFHVURJKSA-N 1 0 454.685 3.025 20 0 JGADRO CC(C)C[C@H](Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1C(C)(C)C)[NH+](C)C ZINC001302824351 1067413305 /nfs/dbraw/zinc/41/33/05/1067413305.db2.gz ZPTDOXBISJOSKC-GOSISDBHSA-N 1 0 454.619 3.284 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001302824314 1067413418 /nfs/dbraw/zinc/41/34/18/1067413418.db2.gz ZBCHOFQBMPKQFS-OAQYLSRUSA-N 1 0 482.608 3.089 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001304376718 1067418529 /nfs/dbraw/zinc/41/85/29/1067418529.db2.gz AGEUURHULHSEHE-WPYKKVEZSA-N 1 0 495.672 3.325 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC001304376642 1067418664 /nfs/dbraw/zinc/41/86/64/1067418664.db2.gz BSLIMLVGEQGNRA-QFIPXVFZSA-N 1 0 481.645 3.125 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1C ZINC001304378540 1067422390 /nfs/dbraw/zinc/42/23/90/1067422390.db2.gz NWJHMQGFYXCGOY-FUPPJEDESA-N 1 0 468.646 3.476 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1C ZINC001304379371 1067423852 /nfs/dbraw/zinc/42/38/52/1067423852.db2.gz WUIIDYNQLWSUCQ-CLOONOSVSA-N 1 0 495.653 3.213 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001304379312 1067423945 /nfs/dbraw/zinc/42/39/45/1067423945.db2.gz IZJDNLAKCCLLOW-JOCHJYFZSA-N 1 0 495.672 3.374 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304379845 1067425821 /nfs/dbraw/zinc/42/58/21/1067425821.db2.gz VENOLGBKOHFMMR-NHCUHLMSSA-N 1 0 497.688 3.474 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC(=O)NC(C)C)cc1C ZINC001304381924 1067430255 /nfs/dbraw/zinc/43/02/55/1067430255.db2.gz DSHACDOGAYGFIU-UHFFFAOYSA-N 1 0 483.661 3.230 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304382621 1067431161 /nfs/dbraw/zinc/43/11/61/1067431161.db2.gz FHNXLMWRZHTDEI-QFIPXVFZSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[NH+]2CCCCC2)cc1C ZINC001304382867 1067431950 /nfs/dbraw/zinc/43/19/50/1067431950.db2.gz IRIHGWCGTINPBK-QFIPXVFZSA-N 1 0 495.672 3.326 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCC[NH+]1CCC(O)CC1 ZINC001302848000 1067433618 /nfs/dbraw/zinc/43/36/18/1067433618.db2.gz CLVLFALKHAVJDZ-UHFFFAOYSA-N 1 0 460.570 3.435 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001304384542 1067435263 /nfs/dbraw/zinc/43/52/63/1067435263.db2.gz RLSYVJYGFMLBSZ-QFIPXVFZSA-N 1 0 481.645 3.077 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1C ZINC001304384485 1067435311 /nfs/dbraw/zinc/43/53/11/1067435311.db2.gz QBJOHOREJFINQT-REWPJTCUSA-N 1 0 495.672 3.325 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C(F)(F)F ZINC001302856493 1067439504 /nfs/dbraw/zinc/43/95/04/1067439504.db2.gz QHGDSQSZJRGJBF-NXHRZFHOSA-N 1 0 456.557 3.123 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001304386426 1067440909 /nfs/dbraw/zinc/44/09/09/1067440909.db2.gz JUYHWNUVFRWFBR-LSWJPFSZSA-N 1 0 468.646 3.475 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4cccnc4)n3CC[N@@H+](C)C(C)C)C2)nc1 ZINC001304387342 1067443179 /nfs/dbraw/zinc/44/31/79/1067443179.db2.gz QAMGBPZCZORFEX-OAQYLSRUSA-N 1 0 462.602 3.239 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)C2)nc1 ZINC001304387551 1067443586 /nfs/dbraw/zinc/44/35/86/1067443586.db2.gz RVWOWLLVBGKMCO-FCHUYYIVSA-N 1 0 483.661 3.461 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001304388175 1067445577 /nfs/dbraw/zinc/44/55/77/1067445577.db2.gz MJMNBQRUSRIORT-UHFFFAOYSA-N 1 0 491.640 3.267 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCO2)n1CCNC(=O)OC(C)(C)C ZINC001302865656 1067446622 /nfs/dbraw/zinc/44/66/22/1067446622.db2.gz BGYDAVMALYXARF-TZIWHRDSSA-N 1 0 470.618 3.365 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001304388658 1067447008 /nfs/dbraw/zinc/44/70/08/1067447008.db2.gz FCKYCHSXIMVWTB-RTWAWAEBSA-N 1 0 454.619 3.286 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(-c2cnn(C)c2)n1CCCN(C)CC(F)(F)F ZINC001302866114 1067447217 /nfs/dbraw/zinc/44/72/17/1067447217.db2.gz JRGKGJOWQVIPJS-LJQANCHMSA-N 1 0 490.578 3.274 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccncc2)n1CCOCC(F)F ZINC001302866339 1067447326 /nfs/dbraw/zinc/44/73/26/1067447326.db2.gz LAAFFAGRTZRHSP-LJQANCHMSA-N 1 0 456.541 3.256 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CC(=O)NCC(F)(F)F ZINC001302866471 1067447895 /nfs/dbraw/zinc/44/78/95/1067447895.db2.gz NYRBUQHBWQUOTG-QGZVFWFLSA-N 1 0 466.552 3.256 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(COc2ccccc2F)n1CC(F)(F)F ZINC001302867412 1067448340 /nfs/dbraw/zinc/44/83/40/1067448340.db2.gz VAMBEIMRNAKKRA-OAHLLOKOSA-N 1 0 457.472 3.248 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304389915 1067449386 /nfs/dbraw/zinc/44/93/86/1067449386.db2.gz RTHIGDFMOOIFME-FQEVSTJZSA-N 1 0 464.618 3.007 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001304390382 1067450536 /nfs/dbraw/zinc/45/05/36/1067450536.db2.gz WJVJDRXNSJHNBD-JOCHJYFZSA-N 1 0 491.640 3.148 20 0 JGADRO Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001304393114 1067452711 /nfs/dbraw/zinc/45/27/11/1067452711.db2.gz NXOPMYIFMRFXIX-CTNGQTDRSA-N 1 0 454.619 3.316 20 0 JGADRO Cc1ccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001304393119 1067453202 /nfs/dbraw/zinc/45/32/02/1067453202.db2.gz NXOPMYIFMRFXIX-TZIWHRDSSA-N 1 0 454.619 3.316 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302871701 1067453764 /nfs/dbraw/zinc/45/37/64/1067453764.db2.gz DOSOKDDEANSBKT-DEOSSOPVSA-N 1 0 495.716 3.240 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001302872220 1067454585 /nfs/dbraw/zinc/45/45/85/1067454585.db2.gz SVPFYGAHXCSYDP-CTNGQTDRSA-N 1 0 469.634 3.242 20 0 JGADRO Cc1ccc(OC(F)F)c(Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001304394459 1067455588 /nfs/dbraw/zinc/45/55/88/1067455588.db2.gz DNHLPNZDZJFNNU-UHFFFAOYSA-N 1 0 462.545 3.003 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CC=CCC2)cc1C ZINC001304396182 1067457944 /nfs/dbraw/zinc/45/79/44/1067457944.db2.gz MGGWXXKFWNMZER-UHFFFAOYSA-N 1 0 454.619 3.087 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001302876002 1067459237 /nfs/dbraw/zinc/45/92/37/1067459237.db2.gz MPIOHHYHWJBUIJ-UHFFFAOYSA-N 1 0 468.646 3.443 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001302876407 1067459693 /nfs/dbraw/zinc/45/96/93/1067459693.db2.gz OXZNSKWIWAPTSU-UHFFFAOYSA-N 1 0 472.600 3.494 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304401589 1067464226 /nfs/dbraw/zinc/46/42/26/1067464226.db2.gz CQBBJPJUCNMPET-XMMPIXPASA-N 1 0 471.646 3.326 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304402760 1067464715 /nfs/dbraw/zinc/46/47/15/1067464715.db2.gz VEPXIFKZCXDJEO-GOTSBHOMSA-N 1 0 471.646 3.448 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCSCCCO)cc1C ZINC001304404654 1067467356 /nfs/dbraw/zinc/46/73/56/1067467356.db2.gz QPZZKFNIGILKMK-LEWJYISDSA-N 1 0 459.660 3.262 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCSCCCO)cc1C ZINC001304404662 1067467392 /nfs/dbraw/zinc/46/73/92/1067467392.db2.gz QPZZKFNIGILKMK-SFTDATJTSA-N 1 0 459.660 3.262 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001304405776 1067469253 /nfs/dbraw/zinc/46/92/53/1067469253.db2.gz MUZLLIWNUHNFOK-VXKWHMMOSA-N 1 0 468.646 3.405 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001302890355 1067469534 /nfs/dbraw/zinc/46/95/34/1067469534.db2.gz UEDNLZNZLLMNQH-UHFFFAOYSA-N 1 0 452.647 3.481 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304406109 1067470145 /nfs/dbraw/zinc/47/01/45/1067470145.db2.gz AUKIBFLSVVZXPT-RLWLMLJZSA-N 1 0 468.646 3.296 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001304406602 1067470571 /nfs/dbraw/zinc/47/05/71/1067470571.db2.gz SURISGIXWKTTGW-YADHBBJMSA-N 1 0 468.646 3.405 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001302892508 1067472906 /nfs/dbraw/zinc/47/29/06/1067472906.db2.gz IFJHXDGUQYVNOV-QFIPXVFZSA-N 1 0 490.693 3.425 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001302893376 1067474392 /nfs/dbraw/zinc/47/43/92/1067474392.db2.gz ZCCHWVFCMNAKIG-JIPXPUAJSA-N 1 0 498.720 3.367 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC(=O)NC(C)C)cc1 ZINC001304409471 1067475299 /nfs/dbraw/zinc/47/52/99/1067475299.db2.gz BAGBEVDTFJDMFF-NRFANRHFSA-N 1 0 454.619 3.002 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC(=O)NC(C)C)cc1 ZINC001304409472 1067475356 /nfs/dbraw/zinc/47/53/56/1067475356.db2.gz BAGBEVDTFJDMFF-OAQYLSRUSA-N 1 0 454.619 3.002 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](Oc4ccccn4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304410200 1067476237 /nfs/dbraw/zinc/47/62/37/1067476237.db2.gz AEGOJYCAKMMVBH-IFMALSPDSA-N 1 0 450.587 3.477 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001304410872 1067477646 /nfs/dbraw/zinc/47/76/46/1067477646.db2.gz MIPCGUOZYADSBA-IFMALSPDSA-N 1 0 477.675 3.074 20 0 JGADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H](C)O1 ZINC001302898921 1067480735 /nfs/dbraw/zinc/48/07/35/1067480735.db2.gz OVGOZGXNZVGRIL-QKLQHJQFSA-N 1 0 486.617 3.325 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304412782 1067481775 /nfs/dbraw/zinc/48/17/75/1067481775.db2.gz NLJBJIRNIOTEEY-UNMCSNQZSA-N 1 0 468.646 3.296 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001304412624 1067481788 /nfs/dbraw/zinc/48/17/88/1067481788.db2.gz NEDIUWZPRDNNLK-FPOVZHCZSA-N 1 0 466.586 3.153 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001304414327 1067484229 /nfs/dbraw/zinc/48/42/29/1067484229.db2.gz YJPQMNWCEPMIDH-HXUWFJFHSA-N 1 0 454.619 3.132 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(CCCc4ccccc4)n3CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001302901488 1067484976 /nfs/dbraw/zinc/48/49/76/1067484976.db2.gz JTCVIOGXOJHQHJ-ZRZAMGCNSA-N 1 0 496.700 3.257 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CC(F)(F)CO3)CC2)C[C@H](C)O1 ZINC001302901816 1067485950 /nfs/dbraw/zinc/48/59/50/1067485950.db2.gz QGPMTXYVHNYFSD-SCTDSRPQSA-N 1 0 455.594 3.325 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)C[C@H](C)O1 ZINC001302901854 1067485976 /nfs/dbraw/zinc/48/59/76/1067485976.db2.gz RQTFLGAPSYAJCK-KDURUIRLSA-N 1 0 479.094 3.193 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(F)(F)F ZINC001302902107 1067486388 /nfs/dbraw/zinc/48/63/88/1067486388.db2.gz CLAJZIBIIHPSHV-IRXDYDNUSA-N 1 0 459.557 3.450 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H](C)C1(F)F ZINC001302902061 1067486427 /nfs/dbraw/zinc/48/64/27/1067486427.db2.gz APAJLFHFKMNECU-WSTZPKSXSA-N 1 0 454.610 3.131 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001302902973 1067488066 /nfs/dbraw/zinc/48/80/66/1067488066.db2.gz SCUIELZLXUNHPN-IBGZPJMESA-N 1 0 490.693 3.423 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3nncn3C)n2CC[N@@H+](C)C(C)C)cc1C ZINC001304417415 1067489661 /nfs/dbraw/zinc/48/96/61/1067489661.db2.gz VBZHYXRHLVYTLX-OAQYLSRUSA-N 1 0 452.607 3.284 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCCC[NH+]2CCCCC2)cc1 ZINC001304418056 1067491239 /nfs/dbraw/zinc/49/12/39/1067491239.db2.gz KWROOXRDQMCHHH-JOCHJYFZSA-N 1 0 468.646 3.489 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCN2CCOCC2(C)C)cc1 ZINC001304418102 1067491675 /nfs/dbraw/zinc/49/16/75/1067491675.db2.gz LGDYJWVAXHDASK-UHFFFAOYSA-N 1 0 470.662 3.197 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)C4(CCCCC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304420696 1067496189 /nfs/dbraw/zinc/49/61/89/1067496189.db2.gz OSZBPZXSWDLBIB-NRFANRHFSA-N 1 0 489.686 3.362 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](c4nnc(C(C)C)o4)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001304422680 1067499095 /nfs/dbraw/zinc/49/90/95/1067499095.db2.gz XGFMYBXBNCUEMC-ICSRJNTNSA-N 1 0 469.590 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001304423220 1067500017 /nfs/dbraw/zinc/50/00/17/1067500017.db2.gz VBRBBMUZHFWTGC-JTHBVZDNSA-N 1 0 468.646 3.341 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302918945 1067500573 /nfs/dbraw/zinc/50/05/73/1067500573.db2.gz IEAKCAXWLWDEAJ-VSKRKVRLSA-N 1 0 465.708 3.392 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304423972 1067500772 /nfs/dbraw/zinc/50/07/72/1067500772.db2.gz CFHPIESXBUQVAV-XMMPIXPASA-N 1 0 471.646 3.182 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001302920161 1067501337 /nfs/dbraw/zinc/50/13/37/1067501337.db2.gz RDOLDKYFSSDTTB-NZQKXSOJSA-N 1 0 452.647 3.463 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001302920779 1067501613 /nfs/dbraw/zinc/50/16/13/1067501613.db2.gz XGRFNSNNVNLMIA-IRLDBZIGSA-N 1 0 482.739 3.095 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001302920324 1067501710 /nfs/dbraw/zinc/50/17/10/1067501710.db2.gz SJJHZUDYGICBRJ-PWRODBHTSA-N 1 0 451.681 3.002 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302922798 1067502771 /nfs/dbraw/zinc/50/27/71/1067502771.db2.gz JKSQXSHXSGVAPQ-MOPGFXCFSA-N 1 0 483.583 3.380 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001304427431 1067504439 /nfs/dbraw/zinc/50/44/39/1067504439.db2.gz DTKRGPBWYBBJHN-NHCUHLMSSA-N 1 0 465.602 3.058 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001302932509 1067508201 /nfs/dbraw/zinc/50/82/01/1067508201.db2.gz BGLCSSKFERNVHH-NRFANRHFSA-N 1 0 488.702 3.392 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001304430599 1067508297 /nfs/dbraw/zinc/50/82/97/1067508297.db2.gz YSLZZJGJNGIZEK-FGZHOGPDSA-N 1 0 457.619 3.107 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001304430605 1067508322 /nfs/dbraw/zinc/50/83/22/1067508322.db2.gz YUGBWJVMNXMABF-QFIPXVFZSA-N 1 0 471.646 3.231 20 0 JGADRO FC(F)(F)CN1CCN(c2nnc(-c3cnccn3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001302936509 1067509883 /nfs/dbraw/zinc/50/98/83/1067509883.db2.gz IWGAZIMNRYQAPP-UHFFFAOYSA-N 1 0 466.556 3.076 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCOC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001304431680 1067510155 /nfs/dbraw/zinc/51/01/55/1067510155.db2.gz KCQONJZLWNPLPH-JOCHJYFZSA-N 1 0 472.703 3.378 20 0 JGADRO CC(C)Cc1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302937062 1067510286 /nfs/dbraw/zinc/51/02/86/1067510286.db2.gz HYWREIKTLPNODG-RPWUZVMVSA-N 1 0 482.673 3.387 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@H]3CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304432590 1067511206 /nfs/dbraw/zinc/51/12/06/1067511206.db2.gz ZFWWLBFKKRRKAB-SFTDATJTSA-N 1 0 459.660 3.461 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001304432794 1067511564 /nfs/dbraw/zinc/51/15/64/1067511564.db2.gz GWSWQGIAFHZCKB-MJGOQNOKSA-N 1 0 454.600 3.086 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001302938039 1067511821 /nfs/dbraw/zinc/51/18/21/1067511821.db2.gz POARAPWHNIZZML-QFIPXVFZSA-N 1 0 483.661 3.167 20 0 JGADRO FC(F)(F)CN1CCCN(c2nnc(-c3ccccc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001302938278 1067511837 /nfs/dbraw/zinc/51/18/37/1067511837.db2.gz SRNJCOGMVIVAPH-UHFFFAOYSA-N 1 0 466.552 3.132 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304433226 1067512151 /nfs/dbraw/zinc/51/21/51/1067512151.db2.gz AFYYHVUNJXNTSC-VWLOTQADSA-N 1 0 499.685 3.034 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(O)CCO[C@@H]2C)cc1 ZINC001304433244 1067512188 /nfs/dbraw/zinc/51/21/88/1067512188.db2.gz AKWMEXNXROZKBM-NTKDMRAZSA-N 1 0 459.660 3.386 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC(C(N)=O)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001304433574 1067512617 /nfs/dbraw/zinc/51/26/17/1067512617.db2.gz OUSCZSICRBELKI-WOJBJXKFSA-N 1 0 486.686 3.080 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001302939346 1067512984 /nfs/dbraw/zinc/51/29/84/1067512984.db2.gz WVKIFHLGZMDORL-JOCHJYFZSA-N 1 0 488.702 3.110 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001302940195 1067514285 /nfs/dbraw/zinc/51/42/85/1067514285.db2.gz WBTJEMPBOZPWEP-LJQANCHMSA-N 1 0 456.616 3.396 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302940280 1067514772 /nfs/dbraw/zinc/51/47/72/1067514772.db2.gz YKOSTBOBELCLAQ-DEOSSOPVSA-N 1 0 462.708 3.143 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H]4OCCC[C@@H]4C3)n2CCOCC[NH+](C)C)cc1 ZINC001304436988 1067515933 /nfs/dbraw/zinc/51/59/33/1067515933.db2.gz FBUYICOMPRTFSI-IRLDBZIGSA-N 1 0 459.660 3.462 20 0 JGADRO F[C@H]1C[C@H](CCn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001302942160 1067515944 /nfs/dbraw/zinc/51/59/44/1067515944.db2.gz XKWNBBXQHRMXTJ-BZSNNMDCSA-N 1 0 463.520 3.011 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN4C(=O)N(C)C[C@@H]4C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001304437360 1067516607 /nfs/dbraw/zinc/51/66/07/1067516607.db2.gz OXLWFFIPNZZGCQ-LJQANCHMSA-N 1 0 471.675 3.023 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001304437786 1067517161 /nfs/dbraw/zinc/51/71/61/1067517161.db2.gz SJSHRBFTFVJQDU-UHFFFAOYSA-N 1 0 456.660 3.470 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1ccccc1OC(C)C ZINC001302945279 1067518088 /nfs/dbraw/zinc/51/80/88/1067518088.db2.gz ZLTCDARQTTZXFV-QFIPXVFZSA-N 1 0 468.646 3.055 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001302946306 1067519515 /nfs/dbraw/zinc/51/95/15/1067519515.db2.gz BCPGDRAJXHEGJW-HXUWFJFHSA-N 1 0 456.639 3.128 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001302946644 1067520003 /nfs/dbraw/zinc/52/00/03/1067520003.db2.gz QAUMKYYLTNPPPM-RCZVLFRGSA-N 1 0 481.689 3.090 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001302947238 1067520512 /nfs/dbraw/zinc/52/05/12/1067520512.db2.gz UIUQZVQHNRGHLK-JOCHJYFZSA-N 1 0 487.737 3.168 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302949107 1067522711 /nfs/dbraw/zinc/52/27/11/1067522711.db2.gz HIBWFXDMXFZGSN-HSZRJFAPSA-N 1 0 458.626 3.179 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302948990 1067522768 /nfs/dbraw/zinc/52/27/68/1067522768.db2.gz WMALDLNCSVLJEO-GBESFXJTSA-N 1 0 460.589 3.049 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3cccc(O)c3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302949877 1067523501 /nfs/dbraw/zinc/52/35/01/1067523501.db2.gz LCPRQSUVOHYBEW-NHCUHLMSSA-N 1 0 470.662 3.397 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302954027 1067525627 /nfs/dbraw/zinc/52/56/27/1067525627.db2.gz BSDQPBMEFUTXEI-HXUWFJFHSA-N 1 0 461.054 3.303 20 0 JGADRO Cc1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304443828 1067525832 /nfs/dbraw/zinc/52/58/32/1067525832.db2.gz VEOQGPVEEARXQV-SFTDATJTSA-N 1 0 468.646 3.135 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001302957184 1067528422 /nfs/dbraw/zinc/52/84/22/1067528422.db2.gz LCMDAIHRCMLEQL-UHFFFAOYSA-N 1 0 495.716 3.307 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302959144 1067531008 /nfs/dbraw/zinc/53/10/08/1067531008.db2.gz PAJKDDKSVQOBPF-BJKOFHAPSA-N 1 0 487.737 3.170 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001302959162 1067531181 /nfs/dbraw/zinc/53/11/81/1067531181.db2.gz PGOFDYIOCRZRPA-XMMPIXPASA-N 1 0 495.716 3.382 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CCN1CCOCC1(C)C ZINC001302961318 1067532721 /nfs/dbraw/zinc/53/27/21/1067532721.db2.gz KEESQMSXBHJTEL-QFIPXVFZSA-N 1 0 454.663 3.298 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001302964389 1067534563 /nfs/dbraw/zinc/53/45/63/1067534563.db2.gz DDWXZMFHIHLCOO-UHFFFAOYSA-N 1 0 461.680 3.223 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001304453648 1067535116 /nfs/dbraw/zinc/53/51/16/1067535116.db2.gz UBZGXWADEKPOIQ-NRFANRHFSA-N 1 0 453.566 3.051 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001304453649 1067535182 /nfs/dbraw/zinc/53/51/82/1067535182.db2.gz UBZGXWADEKPOIQ-OAQYLSRUSA-N 1 0 453.566 3.051 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001304456557 1067537070 /nfs/dbraw/zinc/53/70/70/1067537070.db2.gz PVQSHVJPGYUHFB-IBGZPJMESA-N 1 0 482.654 3.420 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304460068 1067539340 /nfs/dbraw/zinc/53/93/40/1067539340.db2.gz PBLQZHNSNFGNOB-UHFFFAOYSA-N 1 0 469.678 3.318 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302972539 1067539789 /nfs/dbraw/zinc/53/97/89/1067539789.db2.gz POANNPBLCZSFHF-CJFMBICVSA-N 1 0 457.667 3.473 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CC[NH+]2CCCC2)n1 ZINC001304464735 1067542795 /nfs/dbraw/zinc/54/27/95/1067542795.db2.gz IORCBQQFIIWEGU-NRFANRHFSA-N 1 0 452.525 3.274 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001304465972 1067544308 /nfs/dbraw/zinc/54/43/08/1067544308.db2.gz QVFKTAJBSYZUGZ-SFHVURJKSA-N 1 0 493.578 3.418 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001304467141 1067545684 /nfs/dbraw/zinc/54/56/84/1067545684.db2.gz GQQGLYMULWBFEX-UHFFFAOYSA-N 1 0 464.614 3.236 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304468751 1067547253 /nfs/dbraw/zinc/54/72/53/1067547253.db2.gz HLERJUNPWHKLTE-PZJWPPBQSA-N 1 0 467.662 3.464 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001304468923 1067547906 /nfs/dbraw/zinc/54/79/06/1067547906.db2.gz JTLOKMKWCWJEGI-OAQYLSRUSA-N 1 0 469.634 3.482 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304472290 1067550563 /nfs/dbraw/zinc/55/05/63/1067550563.db2.gz MDHIWSKBUGQWRU-SFTDATJTSA-N 1 0 455.651 3.366 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](c4noc(C(C)C)n4)C3)n2CCOCC[NH+](C)C)n1 ZINC001304474433 1067552185 /nfs/dbraw/zinc/55/21/85/1067552185.db2.gz WAVKFNVACLWJAM-IBGZPJMESA-N 1 0 468.606 3.117 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)n1 ZINC001304477833 1067556098 /nfs/dbraw/zinc/55/60/98/1067556098.db2.gz MMRIKCLIUDDAGI-FQEVSTJZSA-N 1 0 482.677 3.401 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(C[S@@](C)=O)cc2)n1 ZINC001304477983 1067556484 /nfs/dbraw/zinc/55/64/84/1067556484.db2.gz VMENWHYJOXOOHP-JGCGQSQUSA-N 1 0 452.628 3.106 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001302998804 1067557080 /nfs/dbraw/zinc/55/70/80/1067557080.db2.gz SCDIQUWWPXKZEL-RBBKRZOGSA-N 1 0 489.686 3.068 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCCCS(C)(=O)=O)n1 ZINC001304478695 1067557650 /nfs/dbraw/zinc/55/76/50/1067557650.db2.gz GLSINHCYLWXIIS-UHFFFAOYSA-N 1 0 462.664 3.174 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001304478804 1067557761 /nfs/dbraw/zinc/55/77/61/1067557761.db2.gz LWBNIJFRPKWHKB-IRLDBZIGSA-N 1 0 467.662 3.462 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@H+](C)Cc2ccccc2)n1 ZINC001304478999 1067558010 /nfs/dbraw/zinc/55/80/10/1067558010.db2.gz PKWLYYFALCHGNG-JOCHJYFZSA-N 1 0 475.641 3.474 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(c4ncccc4F)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304479046 1067558284 /nfs/dbraw/zinc/55/82/84/1067558284.db2.gz RGIQYONASVWURB-UHFFFAOYSA-N 1 0 452.582 3.240 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCCC(=O)N(C)C)n1 ZINC001304480936 1067560677 /nfs/dbraw/zinc/56/06/77/1067560677.db2.gz VZGKSSDUFRKQTP-OAQYLSRUSA-N 1 0 461.614 3.228 20 0 JGADRO Cc1cccc(CC2(O)CCN(c3nnc([C@H]4CCOC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001304481217 1067560936 /nfs/dbraw/zinc/56/09/36/1067560936.db2.gz CSCIDUFEUFRMAW-QFIPXVFZSA-N 1 0 455.647 3.252 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@H](c4nnc(C(C)C)o4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304484505 1067564007 /nfs/dbraw/zinc/56/40/07/1067564007.db2.gz TYWAKZAPZBDOII-IBGZPJMESA-N 1 0 454.579 3.073 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001303010029 1067564840 /nfs/dbraw/zinc/56/48/40/1067564840.db2.gz JJNGWTJFEUFGQL-XMMPIXPASA-N 1 0 471.675 3.292 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304487755 1067566386 /nfs/dbraw/zinc/56/63/86/1067566386.db2.gz WZXLFQFNOQLVJD-PXDATVDWSA-N 1 0 466.634 3.110 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001303018251 1067571503 /nfs/dbraw/zinc/57/15/03/1067571503.db2.gz ZBLRQLPBWJQXTJ-DEOSSOPVSA-N 1 0 461.676 3.419 20 0 JGADRO CC(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303020821 1067572840 /nfs/dbraw/zinc/57/28/40/1067572840.db2.gz FOVUIYAYWAYTIC-NRFANRHFSA-N 1 0 489.686 3.333 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303021818 1067573759 /nfs/dbraw/zinc/57/37/59/1067573759.db2.gz MKXOOFQFVAGNQC-GLDPYIMESA-N 1 0 474.675 3.130 20 0 JGADRO Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC(=O)NCC(F)(F)F)CC2)c1 ZINC001304499026 1067574100 /nfs/dbraw/zinc/57/41/00/1067574100.db2.gz SFIAKZCVAZPCHQ-UHFFFAOYSA-N 1 0 466.552 3.176 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001303022842 1067574706 /nfs/dbraw/zinc/57/47/06/1067574706.db2.gz RGZYQOBEFYOSRY-XMMPIXPASA-N 1 0 474.675 3.131 20 0 JGADRO NC(=O)[C@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCCCC2)C1 ZINC001303022929 1067574941 /nfs/dbraw/zinc/57/49/41/1067574941.db2.gz QIKSAHZWIYJKGQ-HNNXBMFYSA-N 1 0 479.398 3.034 20 0 JGADRO NC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCCCC[NH+]2CCCCC2)C1 ZINC001303025219 1067577895 /nfs/dbraw/zinc/57/78/95/1067577895.db2.gz PWWBYIAPYZICLR-OAQYLSRUSA-N 1 0 456.610 3.366 20 0 JGADRO NC(=O)[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)C1 ZINC001303025462 1067578109 /nfs/dbraw/zinc/57/81/09/1067578109.db2.gz XEAUKDYIYLTPLO-INIZCTEOSA-N 1 0 479.412 3.128 20 0 JGADRO NC(=O)C[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCCC2)C1 ZINC001303037314 1067583106 /nfs/dbraw/zinc/58/31/06/1067583106.db2.gz PPRULJFEZPHPHG-KRWDZBQOSA-N 1 0 462.545 3.124 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@@H]3c3nncn3C)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304509064 1067583283 /nfs/dbraw/zinc/58/32/83/1067583283.db2.gz NFOKJSJIRMEKOD-OAQYLSRUSA-N 1 0 452.607 3.366 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001304510417 1067585042 /nfs/dbraw/zinc/58/50/42/1067585042.db2.gz NYHBHZDZGNRFTL-SFTDATJTSA-N 1 0 454.619 3.132 20 0 JGADRO CC(C)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303039987 1067585176 /nfs/dbraw/zinc/58/51/76/1067585176.db2.gz BJJBXAFUDADPMG-QUCCMNQESA-N 1 0 454.685 3.168 20 0 JGADRO CC(C)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303039985 1067585182 /nfs/dbraw/zinc/58/51/82/1067585182.db2.gz BJJBXAFUDADPMG-AZUAARDMSA-N 1 0 454.685 3.168 20 0 JGADRO NC(=O)CC1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCCCC2)CC1 ZINC001303044473 1067587744 /nfs/dbraw/zinc/58/77/44/1067587744.db2.gz UFLOBAXLTQKDMZ-UHFFFAOYSA-N 1 0 475.435 3.285 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCCCCS(C)(=O)=O)c1 ZINC001304511880 1067588188 /nfs/dbraw/zinc/58/81/88/1067588188.db2.gz JEWHWICRPSHCCA-NRFANRHFSA-N 1 0 475.659 3.055 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001304512462 1067589183 /nfs/dbraw/zinc/58/91/83/1067589183.db2.gz PLIDKNCYJQFGPT-YADHBBJMSA-N 1 0 468.646 3.343 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303048955 1067589974 /nfs/dbraw/zinc/58/99/74/1067589974.db2.gz JEOAWBNUAKGTTB-IBGZPJMESA-N 1 0 461.680 3.452 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001304513117 1067590361 /nfs/dbraw/zinc/59/03/61/1067590361.db2.gz PEMKOXRTLHKXOE-SBHAEUEKSA-N 1 0 497.562 3.432 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS[C@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001304513811 1067590981 /nfs/dbraw/zinc/59/09/81/1067590981.db2.gz DQXALFCQLJYAFX-RTWAWAEBSA-N 1 0 459.660 3.344 20 0 JGADRO Cc1cccc(OCc2nnc(N3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304513827 1067590991 /nfs/dbraw/zinc/59/09/91/1067590991.db2.gz FIPRXKMMSFOPFM-WYEJZRMESA-N 1 0 470.618 3.219 20 0 JGADRO Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC[N@@H+]1CCC[C@H](C)C1)C2 ZINC001304516928 1067592899 /nfs/dbraw/zinc/59/28/99/1067592899.db2.gz RLSIUWGLKVXFEV-PZJWPPBQSA-N 1 0 488.702 3.272 20 0 JGADRO Cc1cccc(OCCn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001304517447 1067593110 /nfs/dbraw/zinc/59/31/10/1067593110.db2.gz JALDHUUFOYHZBQ-UHFFFAOYSA-N 1 0 468.627 3.187 20 0 JGADRO Cc1ccccc1C(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001304519241 1067594839 /nfs/dbraw/zinc/59/48/39/1067594839.db2.gz ZAAIVQWUANBWAD-QHCPKHFHSA-N 1 0 495.672 3.055 20 0 JGADRO CC(C)CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC001303057783 1067595602 /nfs/dbraw/zinc/59/56/02/1067595602.db2.gz NQROIOBBCCPTLP-SANMLTNESA-N 1 0 490.693 3.474 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001304521132 1067596526 /nfs/dbraw/zinc/59/65/26/1067596526.db2.gz GUYSBJKNLQNGGY-GOSISDBHSA-N 1 0 451.619 3.209 20 0 JGADRO O=C(C1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCCCCC2)CC1)C(F)(F)F ZINC001303061252 1067596869 /nfs/dbraw/zinc/59/68/69/1067596869.db2.gz FLWFCNIUPZRUKA-UHFFFAOYSA-N 1 0 464.536 3.488 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001304526176 1067599056 /nfs/dbraw/zinc/59/90/56/1067599056.db2.gz SPLKKVHJLKELCU-NRFANRHFSA-N 1 0 488.702 3.234 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304530070 1067601502 /nfs/dbraw/zinc/60/15/02/1067601502.db2.gz DVYGKEIYHJGPTJ-XMMPIXPASA-N 1 0 456.660 3.173 20 0 JGADRO CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001303067758 1067602180 /nfs/dbraw/zinc/60/21/80/1067602180.db2.gz HHHYCAXSKLBQAR-UHFFFAOYSA-N 1 0 465.440 3.393 20 0 JGADRO CC(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001303069825 1067604645 /nfs/dbraw/zinc/60/46/45/1067604645.db2.gz UTSOHVMUTNKRQV-PZJWPPBQSA-N 1 0 462.664 3.035 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001304534794 1067605165 /nfs/dbraw/zinc/60/51/65/1067605165.db2.gz IETABLZBSGZJNF-UHFFFAOYSA-N 1 0 464.536 3.387 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001304535085 1067605460 /nfs/dbraw/zinc/60/54/60/1067605460.db2.gz RPNMNYMOCRWJIT-JOCHJYFZSA-N 1 0 488.702 3.093 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304535243 1067605777 /nfs/dbraw/zinc/60/57/77/1067605777.db2.gz NCNBLOSRTBGCFC-NLFFAJNJSA-N 1 0 488.702 3.236 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304535549 1067606127 /nfs/dbraw/zinc/60/61/27/1067606127.db2.gz PXYAFCUUOUNSLK-DEOSSOPVSA-N 1 0 495.716 3.364 20 0 JGADRO O=C(Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)NCC(F)(F)F ZINC001303072677 1067607262 /nfs/dbraw/zinc/60/72/62/1067607262.db2.gz BHCXGWPKYORJTM-HXUWFJFHSA-N 1 0 493.578 3.035 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001304537649 1067608785 /nfs/dbraw/zinc/60/87/85/1067608785.db2.gz ODSVVHHOHTWPHH-NHCUHLMSSA-N 1 0 484.645 3.468 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001304537568 1067609356 /nfs/dbraw/zinc/60/93/56/1067609356.db2.gz QOVXQZQICAYQAW-VQTJNVASSA-N 1 0 480.579 3.173 20 0 JGADRO CC(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001303081615 1067615207 /nfs/dbraw/zinc/61/52/07/1067615207.db2.gz LYGFBHDHJPAOGH-OAQYLSRUSA-N 1 0 459.038 3.311 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1CCCC[NH+]1CCOCC1 ZINC001304547431 1067616396 /nfs/dbraw/zinc/61/63/96/1067616396.db2.gz MIONJXSSGQZETJ-UHFFFAOYSA-N 1 0 472.037 3.313 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001304549236 1067618474 /nfs/dbraw/zinc/61/84/74/1067618474.db2.gz HTPMZLRVXFTIAL-RXVVDRJESA-N 1 0 452.628 3.209 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001304558214 1067626905 /nfs/dbraw/zinc/62/69/05/1067626905.db2.gz XKQSFGOHEQJPOV-NRFANRHFSA-N 1 0 452.647 3.391 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001303090434 1067627040 /nfs/dbraw/zinc/62/70/40/1067627040.db2.gz STVVCVGCOULAHS-UHFFFAOYSA-N 1 0 490.693 3.108 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001303090587 1067627399 /nfs/dbraw/zinc/62/73/99/1067627399.db2.gz YDBNFQIKYCRXAN-FQEVSTJZSA-N 1 0 489.686 3.332 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001303090580 1067627421 /nfs/dbraw/zinc/62/74/21/1067627421.db2.gz XVPVTWHYCUVVCX-QFIPXVFZSA-N 1 0 460.667 3.133 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001303091092 1067627826 /nfs/dbraw/zinc/62/78/26/1067627826.db2.gz LURKKNWXLGJZEY-FQEVSTJZSA-N 1 0 483.748 3.270 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCCO[C@@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304559966 1067629086 /nfs/dbraw/zinc/62/90/86/1067629086.db2.gz QAJMUJSTUPJMSK-QFIPXVFZSA-N 1 0 454.663 3.066 20 0 JGADRO O=C(NCC1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303092066 1067629753 /nfs/dbraw/zinc/62/97/53/1067629753.db2.gz MSFMCSWHVXKJTQ-UHFFFAOYSA-N 1 0 493.578 3.035 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)OC(C)(C)C ZINC001304560710 1067630815 /nfs/dbraw/zinc/63/08/15/1067630815.db2.gz WIDHKMRPYDUORD-QFIPXVFZSA-N 1 0 498.672 3.251 20 0 JGADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001303095738 1067632111 /nfs/dbraw/zinc/63/21/11/1067632111.db2.gz WZYQETIYUHGYBP-UHFFFAOYSA-N 1 0 456.608 3.017 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)F)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001304561970 1067632192 /nfs/dbraw/zinc/63/21/92/1067632192.db2.gz SFCNCHJTIHPQJB-NRFANRHFSA-N 1 0 476.616 3.065 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001303102285 1067640896 /nfs/dbraw/zinc/64/08/96/1067640896.db2.gz PSIMQROVGVLLGI-KNQAVFIVSA-N 1 0 477.675 3.334 20 0 JGADRO 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CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001303263221 1067790116 /nfs/dbraw/zinc/79/01/16/1067790116.db2.gz MWJBUDYPTQRUPJ-UHFFFAOYSA-N 1 0 489.064 3.404 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnccn2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001304718912 1067790381 /nfs/dbraw/zinc/79/03/81/1067790381.db2.gz GDKNGHJTANAIBQ-GOSISDBHSA-N 1 0 451.623 3.234 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001303263614 1067790782 /nfs/dbraw/zinc/79/07/82/1067790782.db2.gz QBHUHGIETHAJHY-QHCPKHFHSA-N 1 0 463.026 3.498 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304720178 1067791103 /nfs/dbraw/zinc/79/11/03/1067791103.db2.gz RRVQZTVSVPYJIJ-HMFYCAOWSA-N 1 0 473.666 3.394 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC001303263786 1067791279 /nfs/dbraw/zinc/79/12/79/1067791279.db2.gz FABVRFAEUYKOLE-ROUUACIJSA-N 1 0 489.690 3.291 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304720180 1067791355 /nfs/dbraw/zinc/79/13/55/1067791355.db2.gz RRVQZTVSVPYJIJ-SPEDKVCISA-N 1 0 473.666 3.394 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2F)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304720242 1067791467 /nfs/dbraw/zinc/79/14/67/1067791467.db2.gz NFHVKYLUUXZZFI-UHFFFAOYSA-N 1 0 482.652 3.345 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001303264696 1067792002 /nfs/dbraw/zinc/79/20/02/1067792002.db2.gz MZGGZGCKANAYMS-DEOSSOPVSA-N 1 0 470.021 3.303 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccccc2F)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304721160 1067792144 /nfs/dbraw/zinc/79/21/44/1067792144.db2.gz BNCCGEFICTWOTB-OALUTQOASA-N 1 0 499.635 3.482 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001303265091 1067792269 /nfs/dbraw/zinc/79/22/69/1067792269.db2.gz GJEKMJPSPXMWJY-OAQYLSRUSA-N 1 0 458.582 3.242 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCOC2(CCOCC2)C1 ZINC001303265383 1067792475 /nfs/dbraw/zinc/79/24/75/1067792475.db2.gz HKZXQHLESURUOD-UHFFFAOYSA-N 1 0 463.573 3.263 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303266180 1067793071 /nfs/dbraw/zinc/79/30/71/1067793071.db2.gz NIUHRDRZTAGEHO-FQEVSTJZSA-N 1 0 464.655 3.396 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(F)(F)CC1 ZINC001303266168 1067793239 /nfs/dbraw/zinc/79/32/39/1067793239.db2.gz MZJNJLKORMHPKX-UHFFFAOYSA-N 1 0 462.593 3.418 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1F)C1CC1 ZINC001303266346 1067793369 /nfs/dbraw/zinc/79/33/69/1067793369.db2.gz PFXUIDNCTQXADI-GOSISDBHSA-N 1 0 481.613 3.358 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(C2CCCC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001303266503 1067793735 /nfs/dbraw/zinc/79/37/35/1067793735.db2.gz QXHJGODZQOPCTK-HSZRJFAPSA-N 1 0 467.662 3.015 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001303266879 1067794361 /nfs/dbraw/zinc/79/43/61/1067794361.db2.gz WVBDHGCPKBTYEP-JOCHJYFZSA-N 1 0 468.646 3.301 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303267898 1067795446 /nfs/dbraw/zinc/79/54/46/1067795446.db2.gz JPOQMHVLDBMFHE-SFHVURJKSA-N 1 0 465.524 3.014 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001304725036 1067796823 /nfs/dbraw/zinc/79/68/23/1067796823.db2.gz FSUUTUQDOMJQOP-OAQYLSRUSA-N 1 0 458.699 3.224 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 ZINC001303268886 1067797527 /nfs/dbraw/zinc/79/75/27/1067797527.db2.gz SCJFHJXQCKAAFX-OAQYLSRUSA-N 1 0 450.587 3.270 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001303269480 1067798276 /nfs/dbraw/zinc/79/82/76/1067798276.db2.gz ZOZQYQRDHRVMOA-UXHICEINSA-N 1 0 491.681 3.172 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001303269491 1067798344 /nfs/dbraw/zinc/79/83/44/1067798344.db2.gz ZXRASDIIYKUBTA-JOCHJYFZSA-N 1 0 476.629 3.371 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001303270929 1067799522 /nfs/dbraw/zinc/79/95/22/1067799522.db2.gz MTEIXUBQNLHQTN-OPAMFIHVSA-N 1 0 451.974 3.462 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303271329 1067800088 /nfs/dbraw/zinc/80/00/88/1067800088.db2.gz QIDGROMIMOHNLO-IBGZPJMESA-N 1 0 459.616 3.435 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001303272036 1067800993 /nfs/dbraw/zinc/80/09/93/1067800993.db2.gz XTCKYHWZJKCPNT-MSOLQXFVSA-N 1 0 460.648 3.035 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001303275076 1067802126 /nfs/dbraw/zinc/80/21/26/1067802126.db2.gz RNOYHRUHLWZVCS-SFHVURJKSA-N 1 0 461.680 3.451 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275383 1067802741 /nfs/dbraw/zinc/80/27/41/1067802741.db2.gz BMGNDEQWFGEEJQ-SFTDATJTSA-N 1 0 454.619 3.002 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275380 1067802921 /nfs/dbraw/zinc/80/29/21/1067802921.db2.gz BMGNDEQWFGEEJQ-LEWJYISDSA-N 1 0 454.619 3.002 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnccn1 ZINC001303276019 1067803324 /nfs/dbraw/zinc/80/33/24/1067803324.db2.gz IJICEDLBZQFWKD-LJQANCHMSA-N 1 0 472.638 3.159 20 0 JGADRO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C(C)C ZINC001303276387 1067803933 /nfs/dbraw/zinc/80/39/33/1067803933.db2.gz LYVIUCZBJJGYFU-IBGZPJMESA-N 1 0 451.612 3.075 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001303276391 1067803981 /nfs/dbraw/zinc/80/39/81/1067803981.db2.gz MEMQOZUXEJHLMR-OAQYLSRUSA-N 1 0 466.609 3.243 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001303277082 1067804717 /nfs/dbraw/zinc/80/47/17/1067804717.db2.gz QXUGPNJKGNKMSW-CBQGHPETSA-N 1 0 490.693 3.330 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001303277659 1067805345 /nfs/dbraw/zinc/80/53/45/1067805345.db2.gz SSEBACZPVHZYPV-UHFFFAOYSA-N 1 0 479.604 3.142 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001303277999 1067805967 /nfs/dbraw/zinc/80/59/67/1067805967.db2.gz YOLJDWCKXBTRLO-QFIPXVFZSA-N 1 0 456.541 3.460 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C2)n1 ZINC001304732605 1067806148 /nfs/dbraw/zinc/80/61/48/1067806148.db2.gz IAKCQRMBIZHKKZ-BBTUJRGHSA-N 1 0 458.655 3.339 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001303278649 1067807384 /nfs/dbraw/zinc/80/73/84/1067807384.db2.gz MAZCBCZESGZYRX-SFHVURJKSA-N 1 0 475.037 3.346 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001303278704 1067807567 /nfs/dbraw/zinc/80/75/67/1067807567.db2.gz NNCKPTKKASTGJW-QFIPXVFZSA-N 1 0 484.428 3.500 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001303278817 1067807875 /nfs/dbraw/zinc/80/78/75/1067807875.db2.gz QZANJXWTTMEJQF-OYRHEFFESA-N 1 0 499.660 3.124 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1 ZINC001303278972 1067808455 /nfs/dbraw/zinc/80/84/55/1067808455.db2.gz XFOWUEYZWZKTKK-TZIWHRDSSA-N 1 0 473.641 3.398 20 0 JGADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+](C)Cc3ccc(F)cc3)C2)n1 ZINC001304735728 1067809881 /nfs/dbraw/zinc/80/98/81/1067809881.db2.gz ZUORPYUIHRGBDP-HSZRJFAPSA-N 1 0 496.635 3.342 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001304736509 1067810673 /nfs/dbraw/zinc/81/06/73/1067810673.db2.gz MEXGJKOUWVTIBQ-UXHICEINSA-N 1 0 499.685 3.223 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304739703 1067813961 /nfs/dbraw/zinc/81/39/61/1067813961.db2.gz JSNNZINODKMFTR-WWPVKYPJSA-N 1 0 484.693 3.097 20 0 JGADRO CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1)C(C)C ZINC001303291128 1067815268 /nfs/dbraw/zinc/81/52/68/1067815268.db2.gz LKGWULXUAIOYAG-UHFFFAOYSA-N 1 0 487.693 3.004 20 0 JGADRO CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCCC2(CCOCC2)C1)C(C)C ZINC001303291121 1067815425 /nfs/dbraw/zinc/81/54/25/1067815425.db2.gz KZRAQGSBWMGWMF-UHFFFAOYSA-N 1 0 460.667 3.420 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCSC3)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001304740683 1067816051 /nfs/dbraw/zinc/81/60/51/1067816051.db2.gz QTACGYDXUYGIQF-OAQYLSRUSA-N 1 0 457.623 3.353 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)C(C)C ZINC001303291676 1067816625 /nfs/dbraw/zinc/81/66/25/1067816625.db2.gz UWDJCPQANWYRRV-QFIPXVFZSA-N 1 0 480.665 3.083 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304741166 1067817064 /nfs/dbraw/zinc/81/70/64/1067817064.db2.gz UISJGLSRBRIBIG-JYFHCDHNSA-N 1 0 465.646 3.257 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccnn2)CC1)C(C)C ZINC001303292127 1067817056 /nfs/dbraw/zinc/81/70/56/1067817056.db2.gz UWPNWKZULVRJAJ-OAQYLSRUSA-N 1 0 456.639 3.145 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2C[C@](C)(O)C(C)C)n1 ZINC001304741167 1067817281 /nfs/dbraw/zinc/81/72/81/1067817281.db2.gz UISJGLSRBRIBIG-OZXSUGGESA-N 1 0 465.646 3.257 20 0 JGADRO CC(C)[NH+](CCCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C)C(C)C ZINC001303292966 1067818777 /nfs/dbraw/zinc/81/87/77/1067818777.db2.gz XAUOSBFGUMBIII-HSZRJFAPSA-N 1 0 483.705 3.433 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304742477 1067819614 /nfs/dbraw/zinc/81/96/14/1067819614.db2.gz BWYFOPXKTHFPKD-HDICACEKSA-N 1 0 457.545 3.028 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCCC2)CC1)C(C)C ZINC001303296342 1067820114 /nfs/dbraw/zinc/82/01/14/1067820114.db2.gz FNGAOGHUVSNWMY-UHFFFAOYSA-N 1 0 467.662 3.222 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001304743379 1067820355 /nfs/dbraw/zinc/82/03/55/1067820355.db2.gz JIECDUMIJUGPCQ-IPJJNNNSSA-N 1 0 457.667 3.369 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304743106 1067820410 /nfs/dbraw/zinc/82/04/10/1067820410.db2.gz HITHVVZYMPODJZ-GMAHTHKFSA-N 1 0 451.619 3.133 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(CCc4ccccc4)n3CCC(C)(C)O)CC2)CC1 ZINC001303296669 1067820492 /nfs/dbraw/zinc/82/04/92/1067820492.db2.gz DDXGEJRLGALUEB-UHFFFAOYSA-N 1 0 468.690 3.219 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304743107 1067820482 /nfs/dbraw/zinc/82/04/82/1067820482.db2.gz HITHVVZYMPODJZ-JTHBVZDNSA-N 1 0 451.619 3.133 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cccnn2)CC1)C(C)C ZINC001303296991 1067820953 /nfs/dbraw/zinc/82/09/53/1067820953.db2.gz NUNVYVJFQYHILI-UHFFFAOYSA-N 1 0 484.599 3.383 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CC[S@@](=O)C(C)(C)C)CC2)CC1 ZINC001303297751 1067821663 /nfs/dbraw/zinc/82/16/63/1067821663.db2.gz MNYAHEQGIQJWIY-JGCGQSQUSA-N 1 0 466.740 3.118 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001303297672 1067821931 /nfs/dbraw/zinc/82/19/31/1067821931.db2.gz UPTFZZSHFVGCTO-XMMPIXPASA-N 1 0 495.640 3.281 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(S(C)(=O)=O)CC1)C(C)C ZINC001303298079 1067822332 /nfs/dbraw/zinc/82/23/32/1067822332.db2.gz HQCMUPOBKYDULZ-UHFFFAOYSA-N 1 0 499.685 3.263 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4cnccn4)n3CC(C)(C)C(C)C)CC2)CC1 ZINC001303298136 1067822728 /nfs/dbraw/zinc/82/27/28/1067822728.db2.gz OUPSADYXPIZCAF-UHFFFAOYSA-N 1 0 454.667 3.412 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CC3(C(=O)N(C)C)CCCC3)CC2)CC1 ZINC001303298335 1067822772 /nfs/dbraw/zinc/82/27/72/1067822772.db2.gz QPWYQEBFHMDDAL-UHFFFAOYSA-N 1 0 487.737 3.219 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1)C(C)C ZINC001303298631 1067823381 /nfs/dbraw/zinc/82/33/81/1067823381.db2.gz NKXDTHIUWQPPRO-GOTSBHOMSA-N 1 0 468.646 3.186 20 0 JGADRO CC(C)[NH+](CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)C(C)C ZINC001303298552 1067823662 /nfs/dbraw/zinc/82/36/62/1067823662.db2.gz LWCDHWZVAUJXJZ-UHFFFAOYSA-N 1 0 467.662 3.480 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCN(C)c3ccccc3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304745401 1067824566 /nfs/dbraw/zinc/82/45/66/1067824566.db2.gz PWDNPLKBYGZGSC-NRFANRHFSA-N 1 0 450.635 3.197 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CCC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001303301177 1067825311 /nfs/dbraw/zinc/82/53/11/1067825311.db2.gz BUYYSCRLEALPPS-FQEVSTJZSA-N 1 0 476.666 3.274 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cc(Cl)ccn2)CC1 ZINC001303301218 1067825370 /nfs/dbraw/zinc/82/53/70/1067825370.db2.gz CWTNZGOGOYVGQS-GOSISDBHSA-N 1 0 463.026 3.092 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnn(C)c3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001303301550 1067825566 /nfs/dbraw/zinc/82/55/66/1067825566.db2.gz JOPYHCVIZDMXKK-UHFFFAOYSA-N 1 0 469.556 3.083 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001303301487 1067825592 /nfs/dbraw/zinc/82/55/92/1067825592.db2.gz IMQPWTDURDGRAY-HYBUGGRVSA-N 1 0 463.667 3.049 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001303301883 1067826006 /nfs/dbraw/zinc/82/60/06/1067826006.db2.gz UGPMBPFKRHGMID-JXNPFXPLSA-N 1 0 489.686 3.129 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001303301884 1067826135 /nfs/dbraw/zinc/82/61/35/1067826135.db2.gz UGPMBPFKRHGMID-RIPCNWKXSA-N 1 0 489.686 3.129 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001303301974 1067826375 /nfs/dbraw/zinc/82/63/75/1067826375.db2.gz XTIJYPDXCWEHSH-LJQANCHMSA-N 1 0 487.649 3.002 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304747360 1067826756 /nfs/dbraw/zinc/82/67/56/1067826756.db2.gz AFUXXVDCYVCXLD-RBBKRZOGSA-N 1 0 484.693 3.001 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304747580 1067826805 /nfs/dbraw/zinc/82/68/05/1067826805.db2.gz ANYANMJVJTXNMP-UHFFFAOYSA-N 1 0 465.646 3.261 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001303302124 1067826880 /nfs/dbraw/zinc/82/68/80/1067826880.db2.gz CFXNGCAXIDUVOG-DOTOQJQBSA-N 1 0 451.413 3.381 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001304747697 1067827188 /nfs/dbraw/zinc/82/71/88/1067827188.db2.gz DORMNLUUQSIHDO-QHCPKHFHSA-N 1 0 497.610 3.401 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001304747964 1067827277 /nfs/dbraw/zinc/82/72/77/1067827277.db2.gz GGDSDARJAMNHDT-DEOSSOPVSA-N 1 0 498.720 3.343 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303303002 1067828326 /nfs/dbraw/zinc/82/83/26/1067828326.db2.gz QJJRTSQDUKWSCG-ROUUACIJSA-N 1 0 456.557 3.413 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303302953 1067828362 /nfs/dbraw/zinc/82/83/62/1067828362.db2.gz CXBZTXCMDHPXBN-GBESFXJTSA-N 1 0 486.583 3.145 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303303215 1067828875 /nfs/dbraw/zinc/82/88/75/1067828875.db2.gz RXOBSCOCKVAOTQ-PLACYPQZSA-N 1 0 463.667 3.046 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303303802 1067829845 /nfs/dbraw/zinc/82/98/45/1067829845.db2.gz JKTRVTOGRRIUFY-WOJBJXKFSA-N 1 0 484.649 3.349 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303303801 1067829868 /nfs/dbraw/zinc/82/98/68/1067829868.db2.gz JKTRVTOGRRIUFY-VQTJNVASSA-N 1 0 484.649 3.349 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303304232 1067830315 /nfs/dbraw/zinc/83/03/15/1067830315.db2.gz FAWVRQSPLGKBFQ-UHFFFAOYSA-N 1 0 480.455 3.119 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001303304509 1067831517 /nfs/dbraw/zinc/83/15/17/1067831517.db2.gz HZHYUPZVJOIHJF-KRWDZBQOSA-N 1 0 496.475 3.063 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303304641 1067832178 /nfs/dbraw/zinc/83/21/78/1067832178.db2.gz IXEHKJNMMZLFOC-VQTJNVASSA-N 1 0 465.689 3.064 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC(F)F)CC1 ZINC001303304649 1067832355 /nfs/dbraw/zinc/83/23/55/1067832355.db2.gz JCBYHEVTLHXAAC-UHFFFAOYSA-N 1 0 460.573 3.050 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303304642 1067832431 /nfs/dbraw/zinc/83/24/31/1067832431.db2.gz IXEHKJNMMZLFOC-WOJBJXKFSA-N 1 0 465.689 3.064 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001303305282 1067833769 /nfs/dbraw/zinc/83/37/69/1067833769.db2.gz SLECDIJTWVHKQM-RBUKOAKNSA-N 1 0 467.584 3.477 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303305961 1067834166 /nfs/dbraw/zinc/83/41/66/1067834166.db2.gz XBBFYPXHNYIWAK-PZJWPPBQSA-N 1 0 451.681 3.460 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304753296 1067834250 /nfs/dbraw/zinc/83/42/50/1067834250.db2.gz ASQCCNRAQNMPST-QFIPXVFZSA-N 1 0 497.623 3.019 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001303306137 1067834573 /nfs/dbraw/zinc/83/45/73/1067834573.db2.gz ZBUAFUGLSWVFGQ-WOJBJXKFSA-N 1 0 497.669 3.456 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001303307656 1067835509 /nfs/dbraw/zinc/83/55/09/1067835509.db2.gz GOCACTDCSSNQKO-OAQYLSRUSA-N 1 0 462.589 3.222 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001303308414 1067836505 /nfs/dbraw/zinc/83/65/05/1067836505.db2.gz VXJVVQWGCSTFGK-UHFFFAOYSA-N 1 0 466.051 3.344 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001304755315 1067837644 /nfs/dbraw/zinc/83/76/44/1067837644.db2.gz ALRQPIVJMYDRKC-GBXCKJPGSA-N 1 0 475.707 3.361 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304755093 1067837732 /nfs/dbraw/zinc/83/77/32/1067837732.db2.gz VMWMPGSMLHLZQJ-SIKLNZKXSA-N 1 0 484.693 3.001 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(N4CCCNC4=O)CC3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304755412 1067838067 /nfs/dbraw/zinc/83/80/67/1067838067.db2.gz YKHZJNOPRQQLLQ-UHFFFAOYSA-N 1 0 499.708 3.033 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001303310409 1067838224 /nfs/dbraw/zinc/83/82/24/1067838224.db2.gz HWKZZIFEIXGNRK-FQEVSTJZSA-N 1 0 477.053 3.152 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)n1 ZINC001304755800 1067838754 /nfs/dbraw/zinc/83/87/54/1067838754.db2.gz GJQIYEGMOOAKGC-YADHBBJMSA-N 1 0 496.660 3.024 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCOC2)CC1 ZINC001303310487 1067838893 /nfs/dbraw/zinc/83/88/93/1067838893.db2.gz MWOKCLORWMMWSY-FQEVSTJZSA-N 1 0 476.666 3.350 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 ZINC001303310634 1067838940 /nfs/dbraw/zinc/83/89/40/1067838940.db2.gz PXAGVKXIWMSHCP-QGZVFWFLSA-N 1 0 463.424 3.298 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304756398 1067840162 /nfs/dbraw/zinc/84/01/62/1067840162.db2.gz NWSBHXMYJNASKV-QHCPKHFHSA-N 1 0 498.720 3.250 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CC1 ZINC001303311342 1067840406 /nfs/dbraw/zinc/84/04/06/1067840406.db2.gz ZRFOXAMHSXRIHP-OAQYLSRUSA-N 1 0 477.700 3.034 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)n1 ZINC001304756644 1067840929 /nfs/dbraw/zinc/84/09/29/1067840929.db2.gz SJESIPLCNVGROL-OAQYLSRUSA-N 1 0 484.693 3.145 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C)C3)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001304756830 1067840933 /nfs/dbraw/zinc/84/09/33/1067840933.db2.gz UXLLFSLVPOVEKH-LJQANCHMSA-N 1 0 451.619 3.365 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCC(=O)N2)CC1 ZINC001303311815 1067841078 /nfs/dbraw/zinc/84/10/78/1067841078.db2.gz NLEHJIGGBMJJNS-OAHLLOKOSA-N 1 0 481.826 3.170 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCc2cc(Br)ccc2F)CC1 ZINC001303312533 1067841875 /nfs/dbraw/zinc/84/18/75/1067841875.db2.gz DTVXEZUGULRVJM-UHFFFAOYSA-N 1 0 474.382 3.410 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCO[C@H](C)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001304757970 1067841906 /nfs/dbraw/zinc/84/19/06/1067841906.db2.gz BEAWRDCVXMTWNZ-JOCHJYFZSA-N 1 0 481.645 3.134 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(F)(F)Br)n1 ZINC001304757961 1067842040 /nfs/dbraw/zinc/84/20/40/1067842040.db2.gz AZFSSHKCXLQHAB-UHFFFAOYSA-N 1 0 474.398 3.438 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCCCCC2=O)CC1 ZINC001303316485 1067843704 /nfs/dbraw/zinc/84/37/04/1067843704.db2.gz AIEXATCNOIORGP-UHFFFAOYSA-N 1 0 472.609 3.319 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001303316659 1067843986 /nfs/dbraw/zinc/84/39/86/1067843986.db2.gz HTJKSWRAODYAIP-UYAOXDASSA-N 1 0 458.655 3.122 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC(C)(C)C(C)C)n1 ZINC001304759435 1067844841 /nfs/dbraw/zinc/84/48/41/1067844841.db2.gz JYFQRDTZCLXWSF-JOCHJYFZSA-N 1 0 457.667 3.371 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001303316962 1067844861 /nfs/dbraw/zinc/84/48/61/1067844861.db2.gz HRDYIUOYOUEYJU-UHFFFAOYSA-N 1 0 480.564 3.382 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CCOC[C@@H]2C)CC1 ZINC001303317290 1067845756 /nfs/dbraw/zinc/84/57/56/1067845756.db2.gz SXXCMBCVZUQKID-SFHVURJKSA-N 1 0 497.471 3.415 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCSC2)CC1 ZINC001303317286 1067845943 /nfs/dbraw/zinc/84/59/43/1067845943.db2.gz SVSGSXLZSFGWGD-QRVBRYPASA-N 1 0 464.680 3.332 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001303317794 1067847689 /nfs/dbraw/zinc/84/76/89/1067847689.db2.gz ULJSXZYXYPYHCQ-UHFFFAOYSA-N 1 0 459.520 3.451 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(F)(F)F)CC2)C1 ZINC001303318164 1067848538 /nfs/dbraw/zinc/84/85/38/1067848538.db2.gz JQNWVDOQBQCJOP-LJQANCHMSA-N 1 0 486.970 3.392 20 0 JGADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCSC3(C)C)CC2)C1 ZINC001303318158 1067848551 /nfs/dbraw/zinc/84/85/51/1067848551.db2.gz JHOBPTSDGHTJGJ-SFTDATJTSA-N 1 0 478.751 3.339 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C4CCCC4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303318246 1067849027 /nfs/dbraw/zinc/84/90/27/1067849027.db2.gz MJDHLYKSMAXADK-JOCHJYFZSA-N 1 0 489.709 3.455 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001304761767 1067849178 /nfs/dbraw/zinc/84/91/78/1067849178.db2.gz ZJEDSMHAFIXFFA-LJQANCHMSA-N 1 0 488.681 3.079 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4cccnc4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318355 1067849195 /nfs/dbraw/zinc/84/91/95/1067849195.db2.gz PHFKASPEJJQYCK-LJQANCHMSA-N 1 0 483.608 3.122 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)Oc2ccccc2)n1 ZINC001304761764 1067849365 /nfs/dbraw/zinc/84/93/65/1067849365.db2.gz ZHQCIRBVCYTAOW-QFIPXVFZSA-N 1 0 451.619 3.385 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303318569 1067850021 /nfs/dbraw/zinc/85/00/21/1067850021.db2.gz VANSLBWHDZVGNB-MOPGFXCFSA-N 1 0 472.600 3.365 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318596 1067850135 /nfs/dbraw/zinc/85/01/35/1067850135.db2.gz VQIFNNVWZSKWRB-ZWKOTPCHSA-N 1 0 476.613 3.377 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318594 1067850298 /nfs/dbraw/zinc/85/02/98/1067850298.db2.gz VQIFNNVWZSKWRB-QZTJIDSGSA-N 1 0 476.613 3.377 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(Cc4ccsc4)n3CCC(C)(C)O)CC2)CC1 ZINC001303318741 1067850668 /nfs/dbraw/zinc/85/06/68/1067850668.db2.gz ZWGINHHLSPABBR-UHFFFAOYSA-N 1 0 460.692 3.086 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC001303318687 1067850792 /nfs/dbraw/zinc/85/07/92/1067850792.db2.gz YIYMBSLRDANRGO-SFTDATJTSA-N 1 0 499.670 3.356 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001304763082 1067851364 /nfs/dbraw/zinc/85/13/64/1067851364.db2.gz OBEQJUOWVMXIAH-OAQYLSRUSA-N 1 0 481.645 3.132 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCc4ccccc4)CC3)n2CCCOC(F)(F)F)n1 ZINC001304763505 1067851589 /nfs/dbraw/zinc/85/15/89/1067851589.db2.gz JPSNIERUWHSZHT-UHFFFAOYSA-N 1 0 491.562 3.431 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001303325176 1067854542 /nfs/dbraw/zinc/85/45/42/1067854542.db2.gz VGJQEAREDNEXSQ-GHTZIAJQSA-N 1 0 460.598 3.110 20 0 JGADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCOCC3)C2)n1 ZINC001304765659 1067855453 /nfs/dbraw/zinc/85/54/53/1067855453.db2.gz BYEXYWSHAKWKAQ-OAQYLSRUSA-N 1 0 472.682 3.102 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001303327827 1067855685 /nfs/dbraw/zinc/85/56/85/1067855685.db2.gz KYPNNAYARQSLLP-IRLDBZIGSA-N 1 0 482.608 3.106 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001303326669 1067855705 /nfs/dbraw/zinc/85/57/05/1067855705.db2.gz DFSAGWVXQWFKDF-GGAORHGYSA-N 1 0 468.646 3.068 20 0 JGADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@]3([NH+](C)C)CCC[C@H](C)C3)C2)n1 ZINC001304765881 1067856257 /nfs/dbraw/zinc/85/62/57/1067856257.db2.gz HNZKPSAUWINSCH-WSNOQYBDSA-N 1 0 499.708 3.052 20 0 JGADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001304767244 1067857822 /nfs/dbraw/zinc/85/78/22/1067857822.db2.gz UXRGGBJKTRONFB-XQBPLPMBSA-N 1 0 472.682 3.200 20 0 JGADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@H](C)[NH+](C)C)CCO2)n1 ZINC001304769027 1067859388 /nfs/dbraw/zinc/85/93/88/1067859388.db2.gz GEDIKDUOCHHDAK-JTAQYXEDSA-N 1 0 485.608 3.226 20 0 JGADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@@H](C)[NH+](C)C)CCO2)n1 ZINC001304769032 1067859868 /nfs/dbraw/zinc/85/98/68/1067859868.db2.gz GEDIKDUOCHHDAK-VIZSFHNOSA-N 1 0 485.608 3.226 20 0 JGADRO Cc1cc(C)n(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC001304771254 1067862975 /nfs/dbraw/zinc/86/29/75/1067862975.db2.gz JCGRNMXFLHMPSX-HSZRJFAPSA-N 1 0 484.693 3.412 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001303334907 1067863941 /nfs/dbraw/zinc/86/39/41/1067863941.db2.gz ANXCZCCNJCABPV-LBPRGKRZSA-N 1 0 459.542 3.011 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001303337203 1067866806 /nfs/dbraw/zinc/86/68/06/1067866806.db2.gz NBAJPNRCHYXNFH-XUZZJYLKSA-N 1 0 480.657 3.214 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001303337201 1067866866 /nfs/dbraw/zinc/86/68/66/1067866866.db2.gz NBAJPNRCHYXNFH-QPPBQGQZSA-N 1 0 480.657 3.214 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303340364 1067868188 /nfs/dbraw/zinc/86/81/88/1067868188.db2.gz OGYRALUPNPWDKX-RTWAWAEBSA-N 1 0 484.645 3.203 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)CCOC(C)(C)C)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001303341972 1067870543 /nfs/dbraw/zinc/87/05/43/1067870543.db2.gz IZTIWHCREOKIRU-IBGZPJMESA-N 1 0 456.635 3.114 20 0 JGADRO Cc1nnc(CCCn2c(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001304777942 1067872816 /nfs/dbraw/zinc/87/28/16/1067872816.db2.gz ASRORCMUDGNTDC-FQEVSTJZSA-N 1 0 469.659 3.224 20 0 JGADRO CC(C)NC(=O)c1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001303347152 1067873819 /nfs/dbraw/zinc/87/38/19/1067873819.db2.gz HWSZDFCQLADFBT-NRFANRHFSA-N 1 0 472.634 3.459 20 0 JGADRO Cc1nnc(CCn2c(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nnc2C(C)(C)C)s1 ZINC001304779712 1067875447 /nfs/dbraw/zinc/87/54/47/1067875447.db2.gz JBPNOVQNEYKMIS-CALCHBBNSA-N 1 0 461.680 3.304 20 0 JGADRO CC(C)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@H]2C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303352708 1067879469 /nfs/dbraw/zinc/87/94/69/1067879469.db2.gz JPSSYWIOEUAGPC-QPPBQGQZSA-N 1 0 481.689 3.072 20 0 JGADRO Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001304789038 1067882134 /nfs/dbraw/zinc/88/21/34/1067882134.db2.gz SNIRAMGRHFOZAD-OALUTQOASA-N 1 0 456.591 3.241 20 0 JGADRO Cc1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304796510 1067884467 /nfs/dbraw/zinc/88/44/67/1067884467.db2.gz VDNCQAZSPBWVFO-LJQANCHMSA-N 1 0 452.525 3.184 20 0 JGADRO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001304800560 1067884758 /nfs/dbraw/zinc/88/47/58/1067884758.db2.gz YKDGTWLMPRKBGE-JOCHJYFZSA-N 1 0 454.619 3.412 20 0 JGADRO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304800718 1067884910 /nfs/dbraw/zinc/88/49/10/1067884910.db2.gz YZSYPGRCNGVIDB-WOJBJXKFSA-N 1 0 454.619 3.412 20 0 JGADRO Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001304800304 1067884990 /nfs/dbraw/zinc/88/49/90/1067884990.db2.gz PBIZRSFRTBEHSD-UHFFFAOYSA-N 1 0 489.546 3.338 20 0 JGADRO Cc1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1CCC[NH+]1CCCCC1 ZINC001304804088 1067885935 /nfs/dbraw/zinc/88/59/35/1067885935.db2.gz AAQWXPRIOQPDSD-UHFFFAOYSA-N 1 0 454.388 3.363 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001303359526 1067887269 /nfs/dbraw/zinc/88/72/69/1067887269.db2.gz YDTSRBFBEDYBTB-CYBMUJFWSA-N 1 0 470.462 3.222 20 0 JGADRO Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001304809762 1067887345 /nfs/dbraw/zinc/88/73/45/1067887345.db2.gz NTRGZXHJDOOWDW-PGRDOPGGSA-N 1 0 472.634 3.119 20 0 JGADRO Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001304813832 1067889027 /nfs/dbraw/zinc/88/90/27/1067889027.db2.gz PEFOROPGIDVIPQ-QGZVFWFLSA-N 1 0 468.631 3.204 20 0 JGADRO Cc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001304821338 1067891780 /nfs/dbraw/zinc/89/17/80/1067891780.db2.gz NDPIUJLQVTUPLI-UHFFFAOYSA-N 1 0 468.646 3.241 20 0 JGADRO 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465.708 3.421 20 0 JGADRO CC(C)[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928176 1067975733 /nfs/dbraw/zinc/97/57/33/1067975733.db2.gz UDRFQZCPAPNVTJ-PLACYPQZSA-N 1 0 468.712 3.129 20 0 JGADRO CC(C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001303457173 1067976037 /nfs/dbraw/zinc/97/60/37/1067976037.db2.gz FNFKTSPPFOKLFJ-RUZDIDTESA-N 1 0 495.716 3.350 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Nc3ccn(C)n3)nnc2-c2cccc(S(C)(=O)=O)c2)C1 ZINC001304928377 1067976173 /nfs/dbraw/zinc/97/61/73/1067976173.db2.gz NLMAEZZTUQHVPG-QZTJIDSGSA-N 1 0 471.631 3.194 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928746 1067976573 /nfs/dbraw/zinc/97/65/73/1067976573.db2.gz QOSMOYFIOQQOIO-AOHZBQACSA-N 1 0 481.689 3.373 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001304929328 1067977392 /nfs/dbraw/zinc/97/73/92/1067977392.db2.gz VDHLNMGGBRFITH-QJMRKGMQSA-N 1 0 474.600 3.217 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(N(C)C)c2)CC1 ZINC001303463028 1067982270 /nfs/dbraw/zinc/98/22/70/1067982270.db2.gz MTFCNWWXCHMHFZ-SANMLTNESA-N 1 0 470.662 3.400 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3)n2CC(=O)NCC2CC2)CC1 ZINC001303463003 1067982310 /nfs/dbraw/zinc/98/23/10/1067982310.db2.gz MIFBWXMYNVMJGQ-UHFFFAOYSA-N 1 0 475.435 3.201 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001303463576 1067982700 /nfs/dbraw/zinc/98/27/00/1067982700.db2.gz VVNFERCOPZPQAX-UHFFFAOYSA-N 1 0 455.513 3.219 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001303464800 1067983881 /nfs/dbraw/zinc/98/38/81/1067983881.db2.gz MTZYEJIGOGTCCV-HSZRJFAPSA-N 1 0 458.010 3.207 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001303465209 1067984310 /nfs/dbraw/zinc/98/43/10/1067984310.db2.gz MYIRAMDPJLAERQ-GHTZIAJQSA-N 1 0 484.649 3.347 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CC1 ZINC001303465229 1067984327 /nfs/dbraw/zinc/98/43/27/1067984327.db2.gz GLUMHRREMJCPQW-JOCHJYFZSA-N 1 0 450.052 3.357 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001303465217 1067984423 /nfs/dbraw/zinc/98/44/23/1067984423.db2.gz MYIRAMDPJLAERQ-WIYYLYMNSA-N 1 0 484.649 3.347 20 0 JGADRO C[C@H]1CC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001304936057 1067984816 /nfs/dbraw/zinc/98/48/16/1067984816.db2.gz UEXQIWWNJWRBAY-OALUTQOASA-N 1 0 489.686 3.473 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001303465592 1067984799 /nfs/dbraw/zinc/98/47/99/1067984799.db2.gz KHYBQBUKVUCYFA-UHFFFAOYSA-N 1 0 456.635 3.359 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OCC(F)F)CC1 ZINC001303465688 1067984811 /nfs/dbraw/zinc/98/48/11/1067984811.db2.gz YAJCCZZKOKIYGG-UHFFFAOYSA-N 1 0 459.545 3.338 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2nccs2)CC1 ZINC001303465585 1067984835 /nfs/dbraw/zinc/98/48/35/1067984835.db2.gz JZAMAPLWFPUPCJ-INIZCTEOSA-N 1 0 473.672 3.497 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001303466182 1067985164 /nfs/dbraw/zinc/98/51/64/1067985164.db2.gz YCMXVRZGFIPICO-UHFFFAOYSA-N 1 0 490.534 3.281 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001303465931 1067985221 /nfs/dbraw/zinc/98/52/21/1067985221.db2.gz VYMPCACRDJDECA-GOSISDBHSA-N 1 0 466.508 3.143 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001303466107 1067985254 /nfs/dbraw/zinc/98/52/54/1067985254.db2.gz QHEGTCUHIXZZTE-UHFFFAOYSA-N 1 0 452.647 3.433 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2cnnn2C)CC1 ZINC001303467580 1067986058 /nfs/dbraw/zinc/98/60/58/1067986058.db2.gz BGAYOGUTCOYNIB-UHFFFAOYSA-N 1 0 479.416 3.308 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CCCC2)CC1 ZINC001303467769 1067986515 /nfs/dbraw/zinc/98/65/15/1067986515.db2.gz HXNITAUTQNLOTM-PUZFROQSSA-N 1 0 476.666 3.321 20 0 JGADRO C[C@H]1C[C@H](CCn2c(C3CC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC001304938052 1067987002 /nfs/dbraw/zinc/98/70/02/1067987002.db2.gz LMJFCAFMCQQBFD-ZWKOTPCHSA-N 1 0 459.557 3.452 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCO2)CC1 ZINC001303468123 1067987626 /nfs/dbraw/zinc/98/76/26/1067987626.db2.gz UCVWZUDXSKSZHR-SXLOBPIMSA-N 1 0 462.639 3.195 20 0 JGADRO C[C@H]1C[C@H](CCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001304938693 1067987724 /nfs/dbraw/zinc/98/77/24/1067987724.db2.gz OIFIXRAVQXMHIY-UNMCSNQZSA-N 1 0 490.656 3.387 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001303473506 1067992417 /nfs/dbraw/zinc/99/24/17/1067992417.db2.gz ACFDVLQGEPZRAT-JAJDYLJWSA-N 1 0 477.675 3.204 20 0 JGADRO C[C@H]1C[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304947614 1067999176 /nfs/dbraw/zinc/99/91/76/1067999176.db2.gz HMVLPUMQYVOTLD-ZWKOTPCHSA-N 1 0 452.525 3.011 20 0 JGADRO C[C@@H]1C[C@@H](N(C)c2nnc([C@@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001304950215 1068000095 /nfs/dbraw/zinc/00/00/95/1068000095.db2.gz MVCGTFXMLJRFID-MZYLBHOOSA-N 1 0 489.686 3.096 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001304957538 1068003340 /nfs/dbraw/zinc/00/33/40/1068003340.db2.gz FDQCBVHMVJBTNN-DOADOZAASA-N 1 0 454.685 3.024 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)CC3CCCCC3)n2CCC[NH+]2CCC(O)CC2)CCOC1 ZINC001303482975 1068006168 /nfs/dbraw/zinc/00/61/68/1068006168.db2.gz DHAUPGZCPXROTO-RUZDIDTESA-N 1 0 463.667 3.182 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001304968491 1068009183 /nfs/dbraw/zinc/00/91/83/1068009183.db2.gz DPJXEXOAMLVTBR-HFCFLWKCSA-N 1 0 480.704 3.023 20 0 JGADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(CC(C)(C)C)n2CCc2ccncc2)CC1 ZINC001304968890 1068009982 /nfs/dbraw/zinc/00/99/82/1068009982.db2.gz VEYWDGBGJGDYHK-VXKWHMMOSA-N 1 0 453.679 3.499 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001304971631 1068011832 /nfs/dbraw/zinc/01/18/32/1068011832.db2.gz ZHOGLQDVARJBEN-JEVOJNTISA-N 1 0 454.685 3.024 20 0 JGADRO C[C@@H]1CC[C@@H](Cn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001304972081 1068012139 /nfs/dbraw/zinc/01/21/39/1068012139.db2.gz JLSFVPDPJUMMSA-DHIUTWEWSA-N 1 0 495.716 3.430 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001303488403 1068012393 /nfs/dbraw/zinc/01/23/93/1068012393.db2.gz CZYVSIWEIRXJET-BNUXRISVSA-N 1 0 463.648 3.297 20 0 JGADRO CC1CCC(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001304973553 1068013290 /nfs/dbraw/zinc/01/32/90/1068013290.db2.gz AEZQYKMHGGHOBI-FRIDPHNBSA-N 1 0 490.693 3.474 20 0 JGADRO CC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304973967 1068014045 /nfs/dbraw/zinc/01/40/45/1068014045.db2.gz DDKJRZYLASVINV-UJKMTWAASA-N 1 0 460.667 3.477 20 0 JGADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)O)CC1 ZINC001304975127 1068014807 /nfs/dbraw/zinc/01/48/07/1068014807.db2.gz KYBVXWKVWVNDOW-OALUTQOASA-N 1 0 461.054 3.364 20 0 JGADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)O)CC1 ZINC001304977071 1068015963 /nfs/dbraw/zinc/01/59/63/1068015963.db2.gz PPEUYNMAFWRKHN-OALUTQOASA-N 1 0 461.054 3.364 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@H+]2CC=CCC2)CCOC1 ZINC001303491009 1068016447 /nfs/dbraw/zinc/01/64/47/1068016447.db2.gz XPDMTODWVGIGON-NRFANRHFSA-N 1 0 457.541 3.359 20 0 JGADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(C3CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001304978220 1068016673 /nfs/dbraw/zinc/01/66/73/1068016673.db2.gz VVBDBIUPJPIJSX-NHCUHLMSSA-N 1 0 489.709 3.407 20 0 JGADRO C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(I)cc1 ZINC001303491637 1068016952 /nfs/dbraw/zinc/01/69/52/1068016952.db2.gz BHJDLXVLEFRNSC-IEZWGBDMSA-N 1 0 456.368 3.402 20 0 JGADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001303493143 1068018253 /nfs/dbraw/zinc/01/82/53/1068018253.db2.gz HAWZZNMJFXLKAQ-HFMPRLQTSA-N 1 0 477.671 3.179 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001304980400 1068019351 /nfs/dbraw/zinc/01/93/51/1068019351.db2.gz LCJNHPKBHCLNCT-UHFFFAOYSA-N 1 0 488.702 3.401 20 0 JGADRO CC1CCC([NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CCCCCS(C)(=O)=O)CC2)CC1 ZINC001304980418 1068019456 /nfs/dbraw/zinc/01/94/56/1068019456.db2.gz LPMDOAFENSCCKD-HRTMPFAESA-N 1 0 481.707 3.435 20 0 JGADRO CC1CCC([NH+]2CCN(c3nnc([C@H]4CCCOC4)n3CCCCCS(C)(=O)=O)CC2)CC1 ZINC001304980416 1068019565 /nfs/dbraw/zinc/01/95/65/1068019565.db2.gz LMSHIUDYKRXCNV-ORFBVSJDSA-N 1 0 481.707 3.088 20 0 JGADRO 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C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001305067489 1068140739 /nfs/dbraw/zinc/14/07/39/1068140739.db2.gz SGRRWSQUXUVARK-QHAWAJNXSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccccn2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303606729 1068141045 /nfs/dbraw/zinc/14/10/45/1068141045.db2.gz PPSBDQLDNQVPIV-FQRUVTKNSA-N 1 0 493.681 3.433 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001305068710 1068142606 /nfs/dbraw/zinc/14/26/06/1068142606.db2.gz XZKOAYZYSLJBNL-WOJBJXKFSA-N 1 0 463.692 3.483 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001305068674 1068142691 /nfs/dbraw/zinc/14/26/91/1068142691.db2.gz XJXIUPBCVUJDKL-RBBKRZOGSA-N 1 0 483.661 3.488 20 0 JGADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCCC1 ZINC001303607226 1068143370 /nfs/dbraw/zinc/14/33/70/1068143370.db2.gz YXOICTBRXSDPJJ-GMAHTHKFSA-N 1 0 468.646 3.314 20 0 JGADRO C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001305069403 1068143440 /nfs/dbraw/zinc/14/34/40/1068143440.db2.gz WQHQABQTXNWKPS-VQTJNVASSA-N 1 0 477.613 3.396 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001305070990 1068144537 /nfs/dbraw/zinc/14/45/37/1068144537.db2.gz QYJZRAOIBSYHMK-ROUUACIJSA-N 1 0 466.677 3.023 20 0 JGADRO C[C@@H](c1ccccc1)N(C)c1nnc(-c2cnn(C)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303611284 1068145758 /nfs/dbraw/zinc/14/57/58/1068145758.db2.gz RONKATVMHMPJIG-FQEVSTJZSA-N 1 0 450.635 3.150 20 0 JGADRO C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305072520 1068146181 /nfs/dbraw/zinc/14/61/81/1068146181.db2.gz RXCKYCZTMVZGFH-HRCADAONSA-N 1 0 451.413 3.381 20 0 JGADRO CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001303614536 1068148696 /nfs/dbraw/zinc/14/86/96/1068148696.db2.gz PSZHARBSXIZXAH-IRXDYDNUSA-N 1 0 453.484 3.413 20 0 JGADRO CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001305078477 1068151791 /nfs/dbraw/zinc/15/17/91/1068151791.db2.gz JOGKCUBPZBRNJT-UHFFFAOYSA-N 1 0 462.664 3.020 20 0 JGADRO C[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001305079283 1068152941 /nfs/dbraw/zinc/15/29/41/1068152941.db2.gz LMWYTRPYKAARBL-PXNSSMCTSA-N 1 0 488.683 3.406 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001305079286 1068152952 /nfs/dbraw/zinc/15/29/52/1068152952.db2.gz LMWYTRPYKAARBL-YLJYHZDGSA-N 1 0 488.683 3.406 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001305081502 1068154173 /nfs/dbraw/zinc/15/41/73/1068154173.db2.gz DDRUUGXYSQXZCE-MOPGFXCFSA-N 1 0 451.619 3.405 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001305082658 1068155027 /nfs/dbraw/zinc/15/50/27/1068155027.db2.gz XAMIIXVTYVTEIH-WOJBJXKFSA-N 1 0 474.675 3.164 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN(C)CC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001305083683 1068155296 /nfs/dbraw/zinc/15/52/96/1068155296.db2.gz RCVYDSXXPXFSQK-LJQANCHMSA-N 1 0 488.562 3.330 20 0 JGADRO CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001305086611 1068156543 /nfs/dbraw/zinc/15/65/43/1068156543.db2.gz IWXZITZEGYZBQU-FCHUYYIVSA-N 1 0 490.693 3.476 20 0 JGADRO C[C@@H](c1nccs1)N1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001303628980 1068160032 /nfs/dbraw/zinc/16/00/32/1068160032.db2.gz KYWKEPWIOOXIIN-IBGZPJMESA-N 1 0 468.675 3.191 20 0 JGADRO C[C@H](c1nccs1)N1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001303628981 1068160095 /nfs/dbraw/zinc/16/00/95/1068160095.db2.gz KYWKEPWIOOXIIN-LJQANCHMSA-N 1 0 468.675 3.191 20 0 JGADRO C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCn2cc(CO)nn2)CC[N@@H+]1Cc1ccccc1 ZINC001305093880 1068161243 /nfs/dbraw/zinc/16/12/43/1068161243.db2.gz XTYQJJXDDPKGJZ-NRFANRHFSA-N 1 0 480.661 3.142 20 0 JGADRO C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)[C@@H]1C ZINC001305096788 1068163871 /nfs/dbraw/zinc/16/38/71/1068163871.db2.gz UUKPMRARDVRKHC-LFGUQSLTSA-N 1 0 462.639 3.161 20 0 JGADRO CC1CC[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305103221 1068169960 /nfs/dbraw/zinc/16/99/60/1068169960.db2.gz GBLIZDKKYDSWES-KDURUIRLSA-N 1 0 460.648 3.005 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305103295 1068170019 /nfs/dbraw/zinc/17/00/19/1068170019.db2.gz DVUALLNNOVRPKF-PMACEKPBSA-N 1 0 472.609 3.346 20 0 JGADRO CC1CC[NH+](CCCn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001305103409 1068170538 /nfs/dbraw/zinc/17/05/38/1068170538.db2.gz IUDDKWMTZSURRN-FQEVSTJZSA-N 1 0 465.689 3.066 20 0 JGADRO CC1CC[NH+](CCCCn2c(Cc3ccccc3F)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001305103489 1068170965 /nfs/dbraw/zinc/17/09/65/1068170965.db2.gz HUIFGTZZNVXHCO-RUZDIDTESA-N 1 0 456.610 3.222 20 0 JGADRO CC1CC[NH+](CCCCn2c(CNC(=O)c3cccs3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001305104314 1068172060 /nfs/dbraw/zinc/17/20/60/1068172060.db2.gz VJYXGILHGPZODR-FQEVSTJZSA-N 1 0 474.675 3.397 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305104964 1068172586 /nfs/dbraw/zinc/17/25/86/1068172586.db2.gz BHWIJNIOHJGNCQ-UHFFFAOYSA-N 1 0 496.582 3.164 20 0 JGADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CC(=O)N(C)C)C2)CC1 ZINC001305105444 1068173206 /nfs/dbraw/zinc/17/32/06/1068173206.db2.gz DYSBYTOHMQNVSO-NRFANRHFSA-N 1 0 456.610 3.045 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3cnccn3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001305105677 1068173570 /nfs/dbraw/zinc/17/35/70/1068173570.db2.gz OGLVPBRTTHVSIC-UHFFFAOYSA-N 1 0 477.539 3.246 20 0 JGADRO C[C@@H](N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCC(C)CC2)CC1)C(F)(F)F ZINC001305106881 1068175143 /nfs/dbraw/zinc/17/51/43/1068175143.db2.gz GQROXVCFRXPGMV-MOPGFXCFSA-N 1 0 458.573 3.324 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[NH+]1CCC(C)CC1 ZINC001305106975 1068175166 /nfs/dbraw/zinc/17/51/66/1068175166.db2.gz IYHJWPQCMYIJBG-UHFFFAOYSA-N 1 0 465.602 3.293 20 0 JGADRO C[C@H](N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCC(C)CC2)CC1)C(F)(F)F ZINC001305106882 1068175190 /nfs/dbraw/zinc/17/51/90/1068175190.db2.gz GQROXVCFRXPGMV-OALUTQOASA-N 1 0 458.573 3.324 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001305107267 1068176329 /nfs/dbraw/zinc/17/63/29/1068176329.db2.gz JMJAAUKXDHZUND-LJQANCHMSA-N 1 0 464.536 3.182 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccccc3Br)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001305107882 1068176779 /nfs/dbraw/zinc/17/67/79/1068176779.db2.gz PBWNJRGGVAMPBK-KRWDZBQOSA-N 1 0 475.435 3.106 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccccc3Br)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001305107883 1068176847 /nfs/dbraw/zinc/17/68/47/1068176847.db2.gz PBWNJRGGVAMPBK-QGZVFWFLSA-N 1 0 475.435 3.106 20 0 JGADRO CC1CC[NH+](CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(CO)CC2)CC1 ZINC001305108444 1068178049 /nfs/dbraw/zinc/17/80/49/1068178049.db2.gz TYUVJXCITWRCQF-JOCHJYFZSA-N 1 0 490.693 3.333 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305109058 1068179050 /nfs/dbraw/zinc/17/90/50/1068179050.db2.gz ZNIQGVYNJIGFST-FPOVZHCZSA-N 1 0 469.634 3.421 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001303649723 1068179053 /nfs/dbraw/zinc/17/90/53/1068179053.db2.gz AEBMEUARLDKIMM-SIKLNZKXSA-N 1 0 454.619 3.254 20 0 JGADRO CC1CC[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001305109802 1068180144 /nfs/dbraw/zinc/18/01/44/1068180144.db2.gz UQKSPCIFDRJXAK-SFHVURJKSA-N 1 0 495.550 3.205 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001305111256 1068182374 /nfs/dbraw/zinc/18/23/74/1068182374.db2.gz ALGXVLAZVJKFJU-ROUUACIJSA-N 1 0 476.691 3.169 20 0 JGADRO CC1CC[NH+](CCn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001305110904 1068182453 /nfs/dbraw/zinc/18/24/53/1068182453.db2.gz SJBULFINCFVOQA-UHFFFAOYSA-N 1 0 466.552 3.115 20 0 JGADRO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001305111288 1068182905 /nfs/dbraw/zinc/18/29/05/1068182905.db2.gz AWJGMIGRTHRBKB-QGFMHUBQSA-N 1 0 474.675 3.250 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@@H](C)O1 ZINC001305111557 1068183491 /nfs/dbraw/zinc/18/34/91/1068183491.db2.gz AIINCWRBXKHQDP-BRWVUGGUSA-N 1 0 493.027 3.292 20 0 JGADRO C[C@H](N1CCN(c2nnc(C3CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(F)(F)F ZINC001305111666 1068184073 /nfs/dbraw/zinc/18/40/73/1068184073.db2.gz FFHOOMLZQKPYSA-ZACQAIPSSA-N 1 0 458.573 3.116 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)CC2COC(C)(C)OC2)C[C@H](C)O1 ZINC001305111743 1068184142 /nfs/dbraw/zinc/18/41/42/1068184142.db2.gz BSONAFWLZMRUMA-KDURUIRLSA-N 1 0 474.650 3.007 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N2CCC(O)(C(F)(F)F)CC2)C[C@H](C)O1 ZINC001305111995 1068184869 /nfs/dbraw/zinc/18/48/69/1068184869.db2.gz IOUITLOYAQCWCT-HDICACEKSA-N 1 0 496.578 3.045 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303654181 1068185072 /nfs/dbraw/zinc/18/50/72/1068185072.db2.gz UBEYJCDUILYSKN-NQIIRXRSSA-N 1 0 472.609 3.493 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C(N)=O)c2)C[C@@H](C)O1 ZINC001305112395 1068186868 /nfs/dbraw/zinc/18/68/68/1068186868.db2.gz LKHRHEBKENBQQV-RTBURBONSA-N 1 0 470.662 3.490 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(F)(F)C2)C[C@H](C)O1 ZINC001305112631 1068187284 /nfs/dbraw/zinc/18/72/84/1068187284.db2.gz NPCKAORKTLTDBN-IYBDPMFKSA-N 1 0 482.601 3.003 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001305112651 1068187469 /nfs/dbraw/zinc/18/74/69/1068187469.db2.gz NWODZKGJYWVKHF-HBMCJLEFSA-N 1 0 474.694 3.346 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CC(C)(C)OC(C)(C)C2)C[C@@H](C)O1 ZINC001305112726 1068188019 /nfs/dbraw/zinc/18/80/19/1068188019.db2.gz OZWOVQBXQYYRBF-AQNXPRMDSA-N 1 0 463.667 3.454 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C[C@H](C)O1 ZINC001305113133 1068189321 /nfs/dbraw/zinc/18/93/21/1068189321.db2.gz SAQOGVZTOMYVKO-PMACEKPBSA-N 1 0 469.609 3.229 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC001305113148 1068189529 /nfs/dbraw/zinc/18/95/29/1068189529.db2.gz MIVGZLQEOFPYDE-SVFBPWRDSA-N 1 0 482.673 3.442 20 0 JGADRO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305113503 1068189944 /nfs/dbraw/zinc/18/99/44/1068189944.db2.gz PBNGWAQRSGFSFW-RTBURBONSA-N 1 0 477.675 3.329 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001305113354 1068190125 /nfs/dbraw/zinc/19/01/25/1068190125.db2.gz NWHVBOQTZJSSHA-WCXIOVBPSA-N 1 0 467.540 3.258 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCS[C@H](C)[C@@H]2C)C[C@@H](C)O1 ZINC001305114494 1068192346 /nfs/dbraw/zinc/19/23/46/1068192346.db2.gz YOLBEAKADHBOGL-YSTOQKLRSA-N 1 0 458.676 3.482 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCS[C@H](C)[C@H]2C)C[C@@H](C)O1 ZINC001305114493 1068192418 /nfs/dbraw/zinc/19/24/18/1068192418.db2.gz YOLBEAKADHBOGL-UAFMIMERSA-N 1 0 458.676 3.482 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CCc2nccs2)C[C@@H](C)O1 ZINC001305114992 1068193486 /nfs/dbraw/zinc/19/34/86/1068193486.db2.gz VTORZMAURKMGAA-QZTJIDSGSA-N 1 0 455.632 3.363 20 0 JGADRO C[C@@H](CCn1c(-c2cccc(Br)c2)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCCC1 ZINC001303662965 1068194008 /nfs/dbraw/zinc/19/40/08/1068194008.db2.gz JEHVYLFQBYBXMH-KRWDZBQOSA-N 1 0 498.491 3.453 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305115129 1068193977 /nfs/dbraw/zinc/19/39/77/1068193977.db2.gz WSAQHMWYGXERBB-QRVBRYPASA-N 1 0 464.655 3.393 20 0 JGADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC001303663912 1068196101 /nfs/dbraw/zinc/19/61/01/1068196101.db2.gz QCLIKZWSDVBIRS-RZUBCFFCSA-N 1 0 474.675 3.147 20 0 JGADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC001303664364 1068196737 /nfs/dbraw/zinc/19/67/37/1068196737.db2.gz UUEOKCCHAKRCOC-FSSWDIPSSA-N 1 0 488.702 3.394 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCCC(C)(C)C ZINC001305117153 1068197222 /nfs/dbraw/zinc/19/72/22/1068197222.db2.gz HXOQJXPWLQYJQP-JOCHJYFZSA-N 1 0 481.689 3.136 20 0 JGADRO C[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303664481 1068197336 /nfs/dbraw/zinc/19/73/36/1068197336.db2.gz LEYLKRKZWHELLI-GOSISDBHSA-N 1 0 491.562 3.483 20 0 JGADRO C[C@@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303666026 1068199419 /nfs/dbraw/zinc/19/94/19/1068199419.db2.gz WELSZPYATWIAIM-UNMCSNQZSA-N 1 0 497.669 3.049 20 0 JGADRO C[C@@H](CCn1c(COc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCCCC1 ZINC001303665914 1068200106 /nfs/dbraw/zinc/20/01/06/1068200106.db2.gz GXHOYYDMLMXEDA-IBGZPJMESA-N 1 0 472.609 3.353 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)CCCO1 ZINC001305120008 1068201207 /nfs/dbraw/zinc/20/12/07/1068201207.db2.gz CMJWPWIWKIJYEM-QGZVFWFLSA-N 1 0 463.026 3.065 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCCCC1 ZINC001303667075 1068201529 /nfs/dbraw/zinc/20/15/29/1068201529.db2.gz FVTXCZJQAXXCGV-WOJBJXKFSA-N 1 0 493.649 3.099 20 0 JGADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC001303669015 1068203308 /nfs/dbraw/zinc/20/33/08/1068203308.db2.gz RQJPJIPEIXQWDN-FPOVZHCZSA-N 1 0 454.619 3.418 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC001303668823 1068203435 /nfs/dbraw/zinc/20/34/35/1068203435.db2.gz QELKXOKZNPMOJA-VAMGGRTRSA-N 1 0 451.681 3.317 20 0 JGADRO C[C@@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303669647 1068203970 /nfs/dbraw/zinc/20/39/70/1068203970.db2.gz VJRUUKHLPNUKGS-LEWJYISDSA-N 1 0 476.666 3.494 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(CSc2ccc(Cl)cc2)n1CCCC[NH+]1CCOCC1 ZINC001305121562 1068203998 /nfs/dbraw/zinc/20/39/98/1068203998.db2.gz JNZWYIOFEVSVCT-SFHVURJKSA-N 1 0 493.077 3.003 20 0 JGADRO C[C@@H](CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303669968 1068204401 /nfs/dbraw/zinc/20/44/01/1068204401.db2.gz XBDWIGMWNIPFDQ-XUVXKRRUSA-N 1 0 462.639 3.150 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303669965 1068204523 /nfs/dbraw/zinc/20/45/23/1068204523.db2.gz XBDWIGMWNIPFDQ-SLFFLAALSA-N 1 0 462.639 3.150 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001305122209 1068205591 /nfs/dbraw/zinc/20/55/91/1068205591.db2.gz MQBOWWFFKQAQNG-APWZRJJASA-N 1 0 472.590 3.028 20 0 JGADRO CC(C)[NH+](CCCn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001305122535 1068206026 /nfs/dbraw/zinc/20/60/26/1068206026.db2.gz OWKQSDXYXXLONT-IBGZPJMESA-N 1 0 460.598 3.172 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001303672286 1068207527 /nfs/dbraw/zinc/20/75/27/1068207527.db2.gz PWSCDCZXLHBWFX-PMACEKPBSA-N 1 0 484.649 3.303 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001303672257 1068207559 /nfs/dbraw/zinc/20/75/59/1068207559.db2.gz PKGDRNNFQGWXBR-UXHICEINSA-N 1 0 464.655 3.206 20 0 JGADRO C[C@@H](CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001303672581 1068208547 /nfs/dbraw/zinc/20/85/47/1068208547.db2.gz CCWBBOQQOAJCQX-PMACEKPBSA-N 1 0 476.691 3.250 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303673183 1068209945 /nfs/dbraw/zinc/20/99/45/1068209945.db2.gz ZNLHZYUVXYEOSQ-SFHVURJKSA-N 1 0 474.654 3.102 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001303675894 1068214510 /nfs/dbraw/zinc/21/45/10/1068214510.db2.gz VLYCFPJGKAXJRH-NJYVYQBISA-N 1 0 476.666 3.350 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001303675483 1068214552 /nfs/dbraw/zinc/21/45/52/1068214552.db2.gz UCSWWDCNYIGPEU-HXUWFJFHSA-N 1 0 483.661 3.299 20 0 JGADRO Cc1cc(C=O)c([O-])c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001303678185 1068216105 /nfs/dbraw/zinc/21/61/05/1068216105.db2.gz MXDGXTUWEQMTAG-BGYRXZFFSA-N 1 0 457.571 3.201 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC1CCC(F)(F)CC1 ZINC001305133297 1068219320 /nfs/dbraw/zinc/21/93/20/1068219320.db2.gz MANZQGFJECJXFD-IAGOWNOFSA-N 1 0 488.649 3.024 20 0 JGADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001303683705 1068221232 /nfs/dbraw/zinc/22/12/32/1068221232.db2.gz DIQACIWLAJCDLV-GOSISDBHSA-N 1 0 458.582 3.041 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001305135414 1068223535 /nfs/dbraw/zinc/22/35/35/1068223535.db2.gz HALDKKSBPQIUAV-YOEHRIQHSA-N 1 0 461.916 3.333 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCCC[NH+]2CCOCC2)CCOC1 ZINC001305135619 1068224046 /nfs/dbraw/zinc/22/40/46/1068224046.db2.gz HXRRPOFJFVGRED-PXDATVDWSA-N 1 0 463.667 3.304 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305136176 1068225794 /nfs/dbraw/zinc/22/57/94/1068225794.db2.gz JDDFUHBVXCIBSG-YVHKJVDXSA-N 1 0 478.435 3.432 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001305137320 1068228281 /nfs/dbraw/zinc/22/82/81/1068228281.db2.gz LTGHQEQFWLHKFJ-IECBHUPTSA-N 1 0 461.582 3.282 20 0 JGADRO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1)[NH+](C)C ZINC001303688848 1068228407 /nfs/dbraw/zinc/22/84/07/1068228407.db2.gz PGWLMUSNQXXRFE-ZBFHGGJFSA-N 1 0 454.953 3.293 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC001305137647 1068228978 /nfs/dbraw/zinc/22/89/78/1068228978.db2.gz NSVHKOSZUYAESE-IRXDYDNUSA-N 1 0 465.545 3.271 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001303691160 1068230864 /nfs/dbraw/zinc/23/08/64/1068230864.db2.gz BLDPBAUWSUYEJX-CVEARBPZSA-N 1 0 488.434 3.256 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305138802 1068231851 /nfs/dbraw/zinc/23/18/51/1068231851.db2.gz OXKCTKXPSXGYQA-OALUTQOASA-N 1 0 475.609 3.408 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC2(CCOCC2)C1)[NH+](C)C ZINC001303691816 1068232115 /nfs/dbraw/zinc/23/21/15/1068232115.db2.gz JRCZCOZAGPDLAE-HNNXBMFYSA-N 1 0 451.413 3.383 20 0 JGADRO C[C@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303692271 1068233649 /nfs/dbraw/zinc/23/36/49/1068233649.db2.gz UAYUORPECXQEFD-ZIAGYGMSSA-N 1 0 468.048 3.387 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCN(c2nccs2)CC1)[NH+](C)C ZINC001303692448 1068233992 /nfs/dbraw/zinc/23/39/92/1068233992.db2.gz XIFSJZGVYXLQHW-HNNXBMFYSA-N 1 0 493.479 3.169 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001303693030 1068235172 /nfs/dbraw/zinc/23/51/72/1068235172.db2.gz BKCPFOXPZMRJAZ-UXHICEINSA-N 1 0 488.080 3.072 20 0 JGADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001303693149 1068235367 /nfs/dbraw/zinc/23/53/67/1068235367.db2.gz COKMYEOMFWYIKJ-WOJBJXKFSA-N 1 0 490.718 3.301 20 0 JGADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001303693644 1068236488 /nfs/dbraw/zinc/23/64/88/1068236488.db2.gz ATKZKJBPTBSWQI-SJORKVTESA-N 1 0 459.545 3.299 20 0 JGADRO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001303694509 1068237281 /nfs/dbraw/zinc/23/72/81/1068237281.db2.gz FEFCEFBRAVCLDW-SJLPKXTDSA-N 1 0 496.628 3.160 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001303694167 1068237296 /nfs/dbraw/zinc/23/72/96/1068237296.db2.gz MKQJNFWXBKAFCA-HOTGVXAUSA-N 1 0 464.014 3.389 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCCO1 ZINC001305142091 1068238563 /nfs/dbraw/zinc/23/85/63/1068238563.db2.gz GXJLGXQEHDLZIB-HOTGVXAUSA-N 1 0 484.464 3.231 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC[N@@H+]2CCCO)CCCO1 ZINC001305142093 1068239073 /nfs/dbraw/zinc/23/90/73/1068239073.db2.gz GXJLGXQEHDLZIB-JKSUJKDBSA-N 1 0 484.464 3.231 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC(C)(C)O1 ZINC001305142670 1068240099 /nfs/dbraw/zinc/24/00/99/1068240099.db2.gz GRAWWGOFZSWNDT-LJQANCHMSA-N 1 0 489.686 3.474 20 0 JGADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001303696935 1068240241 /nfs/dbraw/zinc/24/02/41/1068240241.db2.gz VPMDVKLDWHUKJI-CQSZACIVSA-N 1 0 462.467 3.181 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303698697 1068241376 /nfs/dbraw/zinc/24/13/76/1068241376.db2.gz FGVAZBIBEXUKDS-LSDHHAIUSA-N 1 0 493.425 3.292 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001305143409 1068242245 /nfs/dbraw/zinc/24/22/45/1068242245.db2.gz SULSFQNLTYEKGM-INIZCTEOSA-N 1 0 464.408 3.044 20 0 JGADRO C[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[NH+](C)C ZINC001303700368 1068243160 /nfs/dbraw/zinc/24/31/60/1068243160.db2.gz PLPQKKSLVKMTDG-CQSZACIVSA-N 1 0 479.507 3.055 20 0 JGADRO C[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303701427 1068245102 /nfs/dbraw/zinc/24/51/02/1068245102.db2.gz YGUDEAGUUUWCSA-ROUUACIJSA-N 1 0 486.617 3.365 20 0 JGADRO C[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303701426 1068245150 /nfs/dbraw/zinc/24/51/50/1068245150.db2.gz YGUDEAGUUUWCSA-QZTJIDSGSA-N 1 0 486.617 3.365 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2)[NH+](C)C ZINC001303701831 1068245627 /nfs/dbraw/zinc/24/56/27/1068245627.db2.gz WNEVLUCKFWMDNB-AWEZNQCLSA-N 1 0 462.501 3.200 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[NH+](C)C ZINC001303701897 1068245775 /nfs/dbraw/zinc/24/57/75/1068245775.db2.gz XTEHRKCSFPINKN-INIZCTEOSA-N 1 0 468.993 3.194 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001305145229 1068246081 /nfs/dbraw/zinc/24/60/81/1068246081.db2.gz FLCHWAHJLLGUBO-PNCHPQGNSA-N 1 0 463.026 3.497 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC001305145814 1068246976 /nfs/dbraw/zinc/24/69/76/1068246976.db2.gz JFOVLLYTARXENR-CBGDNZLLSA-N 1 0 493.027 3.294 20 0 JGADRO C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303702886 1068247038 /nfs/dbraw/zinc/24/70/38/1068247038.db2.gz GKURIAQUGRMBFB-YLJYHZDGSA-N 1 0 455.607 3.268 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303708927 1068254450 /nfs/dbraw/zinc/25/44/50/1068254450.db2.gz SEGRBVWJQIWHEG-OALUTQOASA-N 1 0 490.578 3.272 20 0 JGADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001303708402 1068254470 /nfs/dbraw/zinc/25/44/70/1068254470.db2.gz PHOCBZSEQPLMQP-PZJWPPBQSA-N 1 0 492.628 3.359 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303708577 1068254499 /nfs/dbraw/zinc/25/44/99/1068254499.db2.gz QVZSTAVNLPCJJX-PMACEKPBSA-N 1 0 494.644 3.432 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ncc(Cl)n1C)[N@H+](C)Cc1ccccc1 ZINC001303709638 1068255638 /nfs/dbraw/zinc/25/56/38/1068255638.db2.gz XVMZBDJSHIARLP-QGZVFWFLSA-N 1 0 465.993 3.279 20 0 JGADRO CC(C)n1nc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O 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1068264998 /nfs/dbraw/zinc/26/49/98/1068264998.db2.gz JGJGPUKFAODQIP-QUCCMNQESA-N 1 0 494.681 3.178 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001305157098 1068265862 /nfs/dbraw/zinc/26/58/62/1068265862.db2.gz JQBNVRXIFKDVQY-CTNGQTDRSA-N 1 0 453.635 3.155 20 0 JGADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](Oc2ccccn2)C1)[NH+](C)C ZINC001303718100 1068266174 /nfs/dbraw/zinc/26/61/74/1068266174.db2.gz RDLUZZDJTYZUGW-FPOVZHCZSA-N 1 0 499.660 3.395 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2c(cc[nH]c2=O)C1)[NH+](C)C ZINC001303718561 1068267320 /nfs/dbraw/zinc/26/73/20/1068267320.db2.gz QLADRZVDBWYQIL-PKOBYXMFSA-N 1 0 485.633 3.006 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccn3C)n2CCC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305159891 1068268619 /nfs/dbraw/zinc/26/86/19/1068268619.db2.gz GJFSPJZCGRUGQZ-RBUKOAKNSA-N 1 0 457.623 3.119 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H](C(F)(F)F)O1 ZINC001305161386 1068269313 /nfs/dbraw/zinc/26/93/13/1068269313.db2.gz NFHBXTDNKIUWGG-UWJYYQICSA-N 1 0 492.546 3.428 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305162594 1068270539 /nfs/dbraw/zinc/27/05/39/1068270539.db2.gz KMHGGVJPYBUSEQ-IEBWSBKVSA-N 1 0 484.605 3.020 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001303721829 1068270934 /nfs/dbraw/zinc/27/09/34/1068270934.db2.gz IEPYOLJLCDYVQT-PZJWPPBQSA-N 1 0 459.660 3.295 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)C(C)C ZINC001305163669 1068272582 /nfs/dbraw/zinc/27/25/82/1068272582.db2.gz BDGFFZZZJFCDJD-AEFFLSMTSA-N 1 0 455.529 3.400 20 0 JGADRO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001305163795 1068273127 /nfs/dbraw/zinc/27/31/27/1068273127.db2.gz IMHHPLAJGGCURR-MOPGFXCFSA-N 1 0 484.649 3.207 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCSCC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC001305164728 1068274708 /nfs/dbraw/zinc/27/47/08/1068274708.db2.gz JNWUOYJEEXRVRT-HNNXBMFYSA-N 1 0 455.554 3.341 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@@H](C)S1 ZINC001305165212 1068275389 /nfs/dbraw/zinc/27/53/89/1068275389.db2.gz ZJAFKURGQIJEDN-RTBURBONSA-N 1 0 469.659 3.388 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccs2)[NH+](C)C)CCN1CC(F)(F)F ZINC001305165161 1068275457 /nfs/dbraw/zinc/27/54/57/1068275457.db2.gz YOQZFSGQRBHBLF-RDJZCZTQSA-N 1 0 482.580 3.116 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)CCN1CC(F)(F)F ZINC001305165777 1068276634 /nfs/dbraw/zinc/27/66/34/1068276634.db2.gz QZSNCHQRFZOOIF-QGZVFWFLSA-N 1 0 492.525 3.079 20 0 JGADRO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001303724946 1068276694 /nfs/dbraw/zinc/27/66/94/1068276694.db2.gz QOYYLBJSFBJSPK-FXAWDEMLSA-N 1 0 476.597 3.312 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305166255 1068277292 /nfs/dbraw/zinc/27/72/92/1068277292.db2.gz YBJMHVZAURCEEP-AZUAARDMSA-N 1 0 484.649 3.349 20 0 JGADRO C[C@H](c1nccs1)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[NH+](C)C)CC1 ZINC001303727203 1068280432 /nfs/dbraw/zinc/28/04/32/1068280432.db2.gz JVECILKFVDSCFL-ZWKOTPCHSA-N 1 0 457.623 3.298 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303727031 1068280669 /nfs/dbraw/zinc/28/06/69/1068280669.db2.gz IXYJJAQIRJMNRA-YLJYHZDGSA-N 1 0 460.598 3.404 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001303728789 1068283434 /nfs/dbraw/zinc/28/34/34/1068283434.db2.gz QCOTZOOMWOWTPF-MHECFPHRSA-N 1 0 455.006 3.051 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1)[NH+](C)C ZINC001303728899 1068283920 /nfs/dbraw/zinc/28/39/20/1068283920.db2.gz WNYDARLABZIMLA-OALUTQOASA-N 1 0 463.586 3.368 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001303728911 1068284084 /nfs/dbraw/zinc/28/40/84/1068284084.db2.gz WOYCOQLHPRTFGF-OAHLLOKOSA-N 1 0 455.500 3.384 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001305176361 1068289051 /nfs/dbraw/zinc/28/90/51/1068289051.db2.gz ACRCOMVVXYEJBX-NJYVYQBISA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303734666 1068291352 /nfs/dbraw/zinc/29/13/52/1068291352.db2.gz MMHGGSBUIMPCAU-PMACEKPBSA-N 1 0 472.634 3.201 20 0 JGADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC001303735743 1068293482 /nfs/dbraw/zinc/29/34/82/1068293482.db2.gz CSHBUNJATZWLOA-QZTJIDSGSA-N 1 0 473.622 3.286 20 0 JGADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC001303737748 1068296327 /nfs/dbraw/zinc/29/63/27/1068296327.db2.gz SFIUHZHBWADMFS-INIZCTEOSA-N 1 0 475.435 3.282 20 0 JGADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001303738305 1068297622 /nfs/dbraw/zinc/29/76/22/1068297622.db2.gz XDYKNHZWAVHAQH-LSDHHAIUSA-N 1 0 452.575 3.234 20 0 JGADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001303738365 1068297683 /nfs/dbraw/zinc/29/76/83/1068297683.db2.gz SWTUZMWYYLRVMJ-WBVHZDCISA-N 1 0 481.428 3.315 20 0 JGADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001303738362 1068297725 /nfs/dbraw/zinc/29/77/25/1068297725.db2.gz SWTUZMWYYLRVMJ-NVXWUHKLSA-N 1 0 481.428 3.315 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@H+](C)Cc2ccccc2)CCN1CC(F)(F)F ZINC001305182689 1068299528 /nfs/dbraw/zinc/29/95/28/1068299528.db2.gz LLBPAOWXRMFJEH-PZJWPPBQSA-N 1 0 480.579 3.377 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001303742802 1068301501 /nfs/dbraw/zinc/30/15/01/1068301501.db2.gz GLXLYAUKOOCRNI-PMPSAXMXSA-N 1 0 476.544 3.068 20 0 JGADRO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1)C[NH+]1CCCC1 ZINC001303743363 1068301889 /nfs/dbraw/zinc/30/18/89/1068301889.db2.gz APPZTXPVIDCIHM-IFMALSPDSA-N 1 0 499.660 3.350 20 0 JGADRO C[C@@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)NCc1ccc(Cl)cc1)[NH+](C)C ZINC001303743049 1068302110 /nfs/dbraw/zinc/30/21/10/1068302110.db2.gz LHMIFJFRLKZELW-GUYCJALGSA-N 1 0 478.935 3.332 20 0 JGADRO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305184722 1068302612 /nfs/dbraw/zinc/30/26/12/1068302612.db2.gz QGNCQKIVQFKJIP-AQNXPRMDSA-N 1 0 478.682 3.063 20 0 JGADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC001303743377 1068302657 /nfs/dbraw/zinc/30/26/57/1068302657.db2.gz AUICHTMLURSGNF-PZJWPPBQSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303743521 1068302762 /nfs/dbraw/zinc/30/27/62/1068302762.db2.gz DEOGMWXQMCLCLC-VAMGGRTRSA-N 1 0 462.639 3.450 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC001305184916 1068303211 /nfs/dbraw/zinc/30/32/11/1068303211.db2.gz JHDQVSZAPQDWMT-SFHLNBCPSA-N 1 0 492.665 3.075 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC001303743841 1068303462 /nfs/dbraw/zinc/30/34/62/1068303462.db2.gz DPIDMSQOERUSDU-SFHVURJKSA-N 1 0 483.567 3.349 20 0 JGADRO C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C[NH+]1CCCC1 ZINC001303743870 1068303635 /nfs/dbraw/zinc/30/36/35/1068303635.db2.gz FAGZZNUTAJIPIJ-GUDVDZBRSA-N 1 0 472.659 3.416 20 0 JGADRO C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303744152 1068303811 /nfs/dbraw/zinc/30/38/11/1068303811.db2.gz APBUWEGXUSWYCY-SFTDATJTSA-N 1 0 467.662 3.451 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303744151 1068304151 /nfs/dbraw/zinc/30/41/51/1068304151.db2.gz APBUWEGXUSWYCY-RTWAWAEBSA-N 1 0 467.662 3.451 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001303744294 1068304680 /nfs/dbraw/zinc/30/46/80/1068304680.db2.gz HZCQEWAQRLFIHK-NQIIRXRSSA-N 1 0 475.037 3.380 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303744836 1068305099 /nfs/dbraw/zinc/30/50/99/1068305099.db2.gz DTNFXFBYPZJOEL-RTBURBONSA-N 1 0 457.623 3.119 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)[NH+](C)C ZINC001303744661 1068305118 /nfs/dbraw/zinc/30/51/18/1068305118.db2.gz JKNWLQYHMOUCRM-ATZDWAIDSA-N 1 0 451.518 3.259 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001303745717 1068306391 /nfs/dbraw/zinc/30/63/91/1068306391.db2.gz PNWPIQQFFRLIQJ-LEWJYISDSA-N 1 0 483.661 3.441 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303746436 1068307492 /nfs/dbraw/zinc/30/74/92/1068307492.db2.gz SXSXWDJUISGTOG-FSSWDIPSSA-N 1 0 474.694 3.283 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303747203 1068308745 /nfs/dbraw/zinc/30/87/45/1068308745.db2.gz ZOMYKGOJMFVROY-SJLPKXTDSA-N 1 0 457.541 3.252 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC001303748148 1068309002 /nfs/dbraw/zinc/30/90/02/1068309002.db2.gz XLJYIEFQQRCJEG-SJORKVTESA-N 1 0 465.440 3.393 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C)C[NH+]1CCCC1 ZINC001303748276 1068310003 /nfs/dbraw/zinc/31/00/03/1068310003.db2.gz YSKYBZNKGCTBJA-SJORKVTESA-N 1 0 475.435 3.106 20 0 JGADRO C[C@@H]1C[N@@H+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001305190030 1068310119 /nfs/dbraw/zinc/31/01/19/1068310119.db2.gz XWNHELONRIOFCV-QRVBRYPASA-N 1 0 463.573 3.262 20 0 JGADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC001303750732 1068310792 /nfs/dbraw/zinc/31/07/92/1068310792.db2.gz BYTISZJLWWDANE-YSTOQKLRSA-N 1 0 462.639 3.006 20 0 JGADRO C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001303751021 1068311531 /nfs/dbraw/zinc/31/15/31/1068311531.db2.gz GTPWMWXFEASFME-VAMGGRTRSA-N 1 0 472.609 3.346 20 0 JGADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)OC(C)(C)C1)C[NH+]1CCCC1 ZINC001303751566 1068312193 /nfs/dbraw/zinc/31/21/93/1068312193.db2.gz LCCJCHQIKOOGGX-ROUUACIJSA-N 1 0 460.648 3.005 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1)C[NH+]1CCCCC1 ZINC001303751642 1068312226 /nfs/dbraw/zinc/31/22/26/1068312226.db2.gz ACXZHYSORCPWRR-GOSISDBHSA-N 1 0 459.038 3.346 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCCCC1 ZINC001303751691 1068312375 /nfs/dbraw/zinc/31/23/75/1068312375.db2.gz ATWKUBJUXIZWLX-ZWKOTPCHSA-N 1 0 476.572 3.257 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCSCC2)CCN1CC(F)(F)F ZINC001305190544 1068312483 /nfs/dbraw/zinc/31/24/83/1068312483.db2.gz GDSRHDNZTQSIKN-QGZVFWFLSA-N 1 0 486.583 3.130 20 0 JGADRO C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1)C[NH+]1CCCCC1 ZINC001303752035 1068312843 /nfs/dbraw/zinc/31/28/43/1068312843.db2.gz DGTJPFMOPNQGGP-UXHICEINSA-N 1 0 462.639 3.309 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001305191062 1068312888 /nfs/dbraw/zinc/31/28/88/1068312888.db2.gz MOOSYDQJDQSEQF-PMACEKPBSA-N 1 0 451.681 3.319 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001305191063 1068313007 /nfs/dbraw/zinc/31/30/07/1068313007.db2.gz MOOSYDQJDQSEQF-UXHICEINSA-N 1 0 451.681 3.319 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001305191115 1068313111 /nfs/dbraw/zinc/31/31/11/1068313111.db2.gz MUPJCURPVSLJEJ-UXHICEINSA-N 1 0 492.665 3.076 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305191165 1068313471 /nfs/dbraw/zinc/31/34/71/1068313471.db2.gz HKVRIHPOPWDJNC-MJGOQNOKSA-N 1 0 452.525 3.296 20 0 JGADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC001303752878 1068314234 /nfs/dbraw/zinc/31/42/34/1068314234.db2.gz KJGMZLPPPJYADF-ROUUACIJSA-N 1 0 456.557 3.301 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001305192271 1068315324 /nfs/dbraw/zinc/31/53/24/1068315324.db2.gz PEGIBFNPHKBFKH-AYOQOUSVSA-N 1 0 469.508 3.287 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1)C[NH+]1CCCCC1 ZINC001303753647 1068316165 /nfs/dbraw/zinc/31/61/65/1068316165.db2.gz NUUFRBWDOHXURT-HXUWFJFHSA-N 1 0 456.635 3.221 20 0 JGADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)C[NH+]1CCCCC1 ZINC001303753714 1068316256 /nfs/dbraw/zinc/31/62/56/1068316256.db2.gz OQVAOMPEBBKFEN-HSZRJFAPSA-N 1 0 487.737 3.123 20 0 JGADRO C[C@H](Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001303754196 1068316954 /nfs/dbraw/zinc/31/69/54/1068316954.db2.gz QSCZWCHLBJBXLA-FQEVSTJZSA-N 1 0 467.662 3.123 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303754643 1068317772 /nfs/dbraw/zinc/31/77/72/1068317772.db2.gz SRRBSSIWDIBCFN-UNMCSNQZSA-N 1 0 483.661 3.489 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)C[NH+]2CCCC2)CCN1CC(F)(F)F ZINC001305194577 1068318891 /nfs/dbraw/zinc/31/88/91/1068318891.db2.gz ANRMVEZEQJGIPX-LJQANCHMSA-N 1 0 479.595 3.459 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001303755615 1068319739 /nfs/dbraw/zinc/31/97/39/1068319739.db2.gz XQPXGZKCNPIDJD-UXHICEINSA-N 1 0 479.595 3.459 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC001305195179 1068319658 /nfs/dbraw/zinc/31/96/58/1068319658.db2.gz FKSKHRGEYJOIPM-PXDATVDWSA-N 1 0 456.635 3.157 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001303755622 1068319909 /nfs/dbraw/zinc/31/99/09/1068319909.db2.gz XQPXGZKCNPIDJD-WOJBJXKFSA-N 1 0 479.595 3.459 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)C(C)C ZINC001305195178 1068319906 /nfs/dbraw/zinc/31/99/06/1068319906.db2.gz FKSKHRGEYJOIPM-OFVILXPXSA-N 1 0 456.635 3.157 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)C[NH+]1CCCCC1 ZINC001303757156 1068320408 /nfs/dbraw/zinc/32/04/08/1068320408.db2.gz VURNHXJKGLJDGN-QZTJIDSGSA-N 1 0 476.563 3.274 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001305195534 1068320651 /nfs/dbraw/zinc/32/06/51/1068320651.db2.gz GMNRRDKIAAKNLG-FQEVSTJZSA-N 1 0 483.661 3.441 20 0 JGADRO C[C@@H](Cn1c(C2CC2)nnc1N(CCO)Cc1cc(Br)ccc1F)C[NH+]1CCOCC1 ZINC001303758593 1068321979 /nfs/dbraw/zinc/32/19/79/1068321979.db2.gz DDPPOHMBZUFVCE-MRXNPFEDSA-N 1 0 496.425 3.024 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCN1CC(F)(F)F ZINC001305197743 1068322468 /nfs/dbraw/zinc/32/24/68/1068322468.db2.gz OMFWYINKYMYQDJ-LJQANCHMSA-N 1 0 479.595 3.459 20 0 JGADRO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)C[NH+]1CCOCC1 ZINC001303758895 1068322658 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/nfs/dbraw/zinc/34/72/57/1068347257.db2.gz CGVNGTFZMSRFMK-RNHFSVANSA-N 1 0 475.609 3.499 20 0 JGADRO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001305214457 1068348397 /nfs/dbraw/zinc/34/83/97/1068348397.db2.gz FILZUSFXPJRBLE-QYZOEREBSA-N 1 0 461.582 3.109 20 0 JGADRO C[C@H](COCc1ccccc1)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303775037 1068353697 /nfs/dbraw/zinc/35/36/97/1068353697.db2.gz XZXNHHPBOACHLY-NRFANRHFSA-N 1 0 468.646 3.174 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001305218137 1068355004 /nfs/dbraw/zinc/35/50/04/1068355004.db2.gz XEZLLVXIFYIYSO-MAUKXSAKSA-N 1 0 459.488 3.492 20 0 JGADRO C[C@@H]1C[N@H+](CCCn2c(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305219638 1068357068 /nfs/dbraw/zinc/35/70/68/1068357068.db2.gz CCJGEJMZDMIPHE-RTWAWAEBSA-N 1 0 476.710 3.455 20 0 JGADRO C[C@@H]1C[NH+](CCCn2c(N(C)C[C@@H]3COc4ccccc4O3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305221283 1068359896 /nfs/dbraw/zinc/35/98/96/1068359896.db2.gz IQDXRAWBHCVXIV-VAMGGRTRSA-N 1 0 457.619 3.351 20 0 JGADRO C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@@H+]2CCCO[C@H](C)C2)[C@@H]1C ZINC001305221348 1068360031 /nfs/dbraw/zinc/36/00/31/1068360031.db2.gz JHTXWUJQDMJCLU-GUDVDZBRSA-N 1 0 460.648 3.005 20 0 JGADRO C[C@@H]1C[NH+](CCCn2c(COc3ccccc3F)nnc2N(C)CC(F)(F)F)C[C@@H](C)O1 ZINC001305221580 1068360864 /nfs/dbraw/zinc/36/08/64/1068360864.db2.gz KGDFLNYTOSKRRZ-HZPDHXFCSA-N 1 0 459.488 3.494 20 0 JGADRO C[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305221667 1068361483 /nfs/dbraw/zinc/36/14/83/1068361483.db2.gz IJEBXZCXJUPRII-TZIWHRDSSA-N 1 0 489.686 3.332 20 0 JGADRO C[C@@H]1C[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)C[C@@H](C)O1 ZINC001305222110 1068362057 /nfs/dbraw/zinc/36/20/57/1068362057.db2.gz NAYZXJMSSZFQJS-AQNXPRMDSA-N 1 0 475.609 3.499 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccncc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305222740 1068363285 /nfs/dbraw/zinc/36/32/85/1068363285.db2.gz MDLNRWKVTPFNLF-AZUAARDMSA-N 1 0 469.634 3.240 20 0 JGADRO C[C@@H]1C[N@H+](CCCn2c(N3CCC(NC(=O)c4ccccc4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001305224478 1068366691 /nfs/dbraw/zinc/36/66/91/1068366691.db2.gz XMPMENCRLVJWAT-OAQYLSRUSA-N 1 0 482.673 3.475 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305225064 1068368318 /nfs/dbraw/zinc/36/83/18/1068368318.db2.gz SVNOFZNDNYPRSH-QRVBRYPASA-N 1 0 462.639 3.496 20 0 JGADRO CC(F)(F)CCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001303787669 1068369107 /nfs/dbraw/zinc/36/91/07/1068369107.db2.gz BPZQXXDXOJRMMD-UHFFFAOYSA-N 1 0 464.536 3.297 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCOCCCO ZINC001305225518 1068369459 /nfs/dbraw/zinc/36/94/59/1068369459.db2.gz UZFXMFQCSVTBEO-AEFFLSMTSA-N 1 0 484.428 3.236 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3cnccn3)n2CCC[N@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001303788061 1068369708 /nfs/dbraw/zinc/36/97/08/1068369708.db2.gz JQTBPZVBMKCYPH-SFHVURJKSA-N 1 0 480.583 3.463 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1)C(F)(F)F ZINC001303789063 1068371720 /nfs/dbraw/zinc/37/17/20/1068371720.db2.gz QVUNVBMUKBDABO-WBVHZDCISA-N 1 0 480.564 3.172 20 0 JGADRO C[C@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305229237 1068373971 /nfs/dbraw/zinc/37/39/71/1068373971.db2.gz QNBXLXGHYSFQSP-RBUKOAKNSA-N 1 0 474.675 3.253 20 0 JGADRO C[C@H]1COCCN1c1nnc(-c2ccc(Br)cc2)n1CCCC[NH+]1CCOCC1 ZINC001305230073 1068375764 /nfs/dbraw/zinc/37/57/64/1068375764.db2.gz QGWDPCMKQVZGMC-KRWDZBQOSA-N 1 0 464.408 3.045 20 0 JGADRO C[C@@H]1COCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001305233289 1068379541 /nfs/dbraw/zinc/37/95/41/1068379541.db2.gz YGCZZHCJMFKZBK-QGZVFWFLSA-N 1 0 456.978 3.207 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001303797059 1068386276 /nfs/dbraw/zinc/38/62/76/1068386276.db2.gz KLNWDHZSWRLUBG-ZWKOTPCHSA-N 1 0 462.664 3.397 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001303797788 1068388441 /nfs/dbraw/zinc/38/84/41/1068388441.db2.gz NRNKRGZSXYFMQW-DLBZAZTESA-N 1 0 484.617 3.253 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2([NH+](C)C)CCC2)C1 ZINC001303797826 1068388558 /nfs/dbraw/zinc/38/85/58/1068388558.db2.gz OAJZUKKTFMXXKL-GUDVDZBRSA-N 1 0 462.639 3.353 20 0 JGADRO CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC001303798383 1068390087 /nfs/dbraw/zinc/39/00/87/1068390087.db2.gz ANSBBSWFXNOYBP-PYMOVNHWSA-N 1 0 451.567 3.137 20 0 JGADRO C[C@@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)CCOC1(C)C ZINC001305240712 1068390779 /nfs/dbraw/zinc/39/07/79/1068390779.db2.gz QBWHDGAVCNKQJC-DLBZAZTESA-N 1 0 469.615 3.294 20 0 JGADRO C[C@@H]1CSCCN1c1nnc(COc2ccccc2F)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305241077 1068391567 /nfs/dbraw/zinc/39/15/67/1068391567.db2.gz WLNDICRZZDNZMK-LJQANCHMSA-N 1 0 476.666 3.212 20 0 JGADRO C[C@H]1CSCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001305242730 1068393985 /nfs/dbraw/zinc/39/39/85/1068393985.db2.gz YXFGGFYTDYZBDZ-SLFFLAALSA-N 1 0 494.706 3.103 20 0 JGADRO C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305246123 1068399492 /nfs/dbraw/zinc/39/94/92/1068399492.db2.gz QSSZVICCBHSADA-IVZQSRNASA-N 1 0 451.974 3.198 20 0 JGADRO C[C@H]1N(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCOC1(C)C ZINC001305246412 1068399760 /nfs/dbraw/zinc/39/97/60/1068399760.db2.gz YIHBGUZDFKBOMA-IFMALSPDSA-N 1 0 471.646 3.359 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CC[N@H+](C)C1CCCC1 ZINC001303803074 1068401199 /nfs/dbraw/zinc/40/11/99/1068401199.db2.gz IJXQEUAVJXIFLM-HOTGVXAUSA-N 1 0 484.617 3.238 20 0 JGADRO C[C@H](c1ccccc1F)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303803766 1068403243 /nfs/dbraw/zinc/40/32/43/1068403243.db2.gz OXYXJPVUKZAGAE-QKLQHJQFSA-N 1 0 480.654 3.345 20 0 JGADRO C[C@H](c1ccco1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001303803786 1068403267 /nfs/dbraw/zinc/40/32/67/1068403267.db2.gz PGFHAOFBHQBPFK-FCEWJHQRSA-N 1 0 478.594 3.121 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCCCO1)c1ccccc1 ZINC001303804160 1068404539 /nfs/dbraw/zinc/40/45/39/1068404539.db2.gz RQNCMIJYOITYLN-TYPHKJRUSA-N 1 0 454.619 3.364 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccccc1 ZINC001303804987 1068406775 /nfs/dbraw/zinc/40/67/75/1068406775.db2.gz WXKHPVKSTDAMNB-IRLDBZIGSA-N 1 0 475.641 3.485 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)CCN1CCOCC1)c1ccccc1 ZINC001303805142 1068407548 /nfs/dbraw/zinc/40/75/48/1068407548.db2.gz XKHQOAKEOJJIHF-RBBKRZOGSA-N 1 0 456.635 3.027 20 0 JGADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001303805496 1068408830 /nfs/dbraw/zinc/40/88/30/1068408830.db2.gz DMPWJOYRBNVULK-OALUTQOASA-N 1 0 474.675 3.104 20 0 JGADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001303805494 1068408877 /nfs/dbraw/zinc/40/88/77/1068408877.db2.gz DMPWJOYRBNVULK-MOPGFXCFSA-N 1 0 474.675 3.104 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1CC1(C)C ZINC001303805609 1068409601 /nfs/dbraw/zinc/40/96/01/1068409601.db2.gz GCYXQZPHHAUILW-SESVDKBCSA-N 1 0 474.675 3.035 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001303807620 1068413440 /nfs/dbraw/zinc/41/34/40/1068413440.db2.gz BCQMJAOYCCPSJG-WOJBJXKFSA-N 1 0 499.685 3.337 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@H]1CC1(C)C ZINC001303808846 1068415561 /nfs/dbraw/zinc/41/55/61/1068415561.db2.gz SWTHYYVLPMEGPU-UYAOXDASSA-N 1 0 474.675 3.035 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305254925 1068417272 /nfs/dbraw/zinc/41/72/72/1068417272.db2.gz MVFMVKNGUDLQAH-CVEARBPZSA-N 1 0 496.523 3.392 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303810522 1068418809 /nfs/dbraw/zinc/41/88/09/1068418809.db2.gz SYQXGQCNQIFGON-HRAATJIYSA-N 1 0 498.644 3.313 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001305256094 1068419336 /nfs/dbraw/zinc/41/93/36/1068419336.db2.gz PKQKGEPVXQGAQJ-XQBPLPMBSA-N 1 0 491.727 3.399 20 0 JGADRO C[C@H]1SCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC[NH+](C)C)[C@@H]1C ZINC001305256312 1068419444 /nfs/dbraw/zinc/41/94/44/1068419444.db2.gz MQMCAUMFOWLSOW-RTBURBONSA-N 1 0 455.632 3.039 20 0 JGADRO C[C@H]1SCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[NH+]2CCCCC2)[C@H]1C ZINC001305256797 1068419840 /nfs/dbraw/zinc/41/98/40/1068419840.db2.gz RSRTYODTOMCWJT-RBUKOAKNSA-N 1 0 492.715 3.012 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[NH+]1CCCCC1 ZINC001305256795 1068419915 /nfs/dbraw/zinc/41/99/15/1068419915.db2.gz RSRTYODTOMCWJT-MOPGFXCFSA-N 1 0 492.715 3.012 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc(F)cc(F)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001303811767 1068421051 /nfs/dbraw/zinc/42/10/51/1068421051.db2.gz YKMAKNNMUAHNHE-INIZCTEOSA-N 1 0 484.617 3.067 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303812488 1068423022 /nfs/dbraw/zinc/42/30/22/1068423022.db2.gz ZDUFGBVGXSYFMK-LPHOPBHVSA-N 1 0 483.082 3.299 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303812502 1068423076 /nfs/dbraw/zinc/42/30/76/1068423076.db2.gz ZGKQIRWPRKCKLS-HRAATJIYSA-N 1 0 498.644 3.313 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccsc2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303816604 1068428919 /nfs/dbraw/zinc/42/89/19/1068428919.db2.gz VHJWQMPJIGWHPN-NQIIRXRSSA-N 1 0 488.683 3.251 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001303816432 1068429640 /nfs/dbraw/zinc/42/96/40/1068429640.db2.gz NSSFSQIVGIKBFY-SFHVURJKSA-N 1 0 454.685 3.169 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001305261976 1068432032 /nfs/dbraw/zinc/43/20/32/1068432032.db2.gz FUTUHAZZMXBINK-WOJBJXKFSA-N 1 0 488.080 3.120 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303818262 1068432203 /nfs/dbraw/zinc/43/22/03/1068432203.db2.gz ATBIIVAAMYLFPT-DYESRHJHSA-N 1 0 492.665 3.317 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001305262580 1068434704 /nfs/dbraw/zinc/43/47/04/1068434704.db2.gz CNISPMCZIBSSFH-XMMPIXPASA-N 1 0 496.700 3.184 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCCCCC2)C1 ZINC001305262739 1068435309 /nfs/dbraw/zinc/43/53/09/1068435309.db2.gz BDZNHGDOLNIZQG-QFIPXVFZSA-N 1 0 468.646 3.249 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305263407 1068437171 /nfs/dbraw/zinc/43/71/71/1068437171.db2.gz CQCSYDRNKMBLRI-GMAHTHKFSA-N 1 0 467.662 3.271 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001305264009 1068439762 /nfs/dbraw/zinc/43/97/62/1068439762.db2.gz HQOWYTMUJNLEKO-BHDDXSALSA-N 1 0 460.667 3.035 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001305264021 1068439776 /nfs/dbraw/zinc/43/97/76/1068439776.db2.gz HQOWYTMUJNLEKO-BHIFYINESA-N 1 0 460.667 3.035 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001305264359 1068441696 /nfs/dbraw/zinc/44/16/96/1068441696.db2.gz FIPAWEAKKBVNQZ-HXAGEGRHSA-N 1 0 467.662 3.269 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001305264360 1068441699 /nfs/dbraw/zinc/44/16/99/1068441699.db2.gz FIPAWEAKKBVNQZ-MZEQIWSPSA-N 1 0 467.662 3.269 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001305265300 1068444887 /nfs/dbraw/zinc/44/48/87/1068444887.db2.gz PDTXIZYYIJPDHR-FGZHOGPDSA-N 1 0 489.064 3.450 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001305265707 1068446766 /nfs/dbraw/zinc/44/67/66/1068446766.db2.gz IBEHIEQRNFNMFH-NHCUHLMSSA-N 1 0 454.619 3.002 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2CCN(CC)CC2)C1 ZINC001305265804 1068447503 /nfs/dbraw/zinc/44/75/03/1068447503.db2.gz NELSUHUJMSMXQN-QHCPKHFHSA-N 1 0 481.689 3.166 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001305265940 1068448076 /nfs/dbraw/zinc/44/80/76/1068448076.db2.gz QKCOBXINTJIFOS-GOSISDBHSA-N 1 0 492.466 3.263 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001303828395 1068448869 /nfs/dbraw/zinc/44/88/69/1068448869.db2.gz VMSOPLFZLSDFLW-CEXWTWQISA-N 1 0 460.648 3.234 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001305266867 1068451328 /nfs/dbraw/zinc/45/13/28/1068451328.db2.gz PKTVSSVHFMKQLZ-UYAOXDASSA-N 1 0 455.632 3.143 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001303829086 1068451626 /nfs/dbraw/zinc/45/16/26/1068451626.db2.gz XYYDLVGXWRILES-BXLRBYEISA-N 1 0 492.665 3.345 20 0 JGADRO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C)[NH+]1CCCC1 ZINC001303829939 1068452886 /nfs/dbraw/zinc/45/28/86/1068452886.db2.gz FWSSFUXTLGUZNT-SQOUVECCSA-N 1 0 488.702 3.391 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC1=CCCCC1 ZINC001303832173 1068457779 /nfs/dbraw/zinc/45/77/79/1068457779.db2.gz ULFNULYTDSJLPU-LEWJYISDSA-N 1 0 486.686 3.490 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001305269189 1068460801 /nfs/dbraw/zinc/46/08/01/1068460801.db2.gz TZHFELJGBXPKLK-ZEQRLZLVSA-N 1 0 482.673 3.359 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001305269434 1068462185 /nfs/dbraw/zinc/46/21/85/1068462185.db2.gz PWIYYQGRAWXZLW-DHIUTWEWSA-N 1 0 468.646 3.167 20 0 JGADRO C[C@H]1SCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCSCC2)[C@@H]1C ZINC001305269750 1068463442 /nfs/dbraw/zinc/46/34/42/1068463442.db2.gz VCNDVRQFDOUSIM-MKXGPGLRSA-N 1 0 496.747 3.428 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001305271804 1068469798 /nfs/dbraw/zinc/46/97/98/1068469798.db2.gz TVDQYGMOVHLFDC-CIAFKFPVSA-N 1 0 460.667 3.035 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303842539 1068471621 /nfs/dbraw/zinc/47/16/21/1068471621.db2.gz BGVYVUOIZHKNIK-HNAYVOBHSA-N 1 0 493.033 3.000 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1)C(C)C ZINC001303843099 1068472852 /nfs/dbraw/zinc/47/28/52/1068472852.db2.gz GXHYORCPVWSUOK-KRWDZBQOSA-N 1 0 483.082 3.223 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303843347 1068473379 /nfs/dbraw/zinc/47/33/79/1068473379.db2.gz WIXTUQRVUUOLHG-RBUKOAKNSA-N 1 0 466.696 3.169 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303843478 1068474108 /nfs/dbraw/zinc/47/41/08/1068474108.db2.gz JTMVIVDEOKMPNX-QGZVFWFLSA-N 1 0 495.093 3.369 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001303843995 1068475324 /nfs/dbraw/zinc/47/53/24/1068475324.db2.gz CRFLZQGJPWKKBZ-IHPCNDPISA-N 1 0 496.628 3.207 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1CCCCC[NH+]1CCCC1 ZINC001303844827 1068477497 /nfs/dbraw/zinc/47/74/97/1068477497.db2.gz VKPWMTNGDNAAAJ-GOSISDBHSA-N 1 0 495.093 3.371 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001303845332 1068479352 /nfs/dbraw/zinc/47/93/52/1068479352.db2.gz MSRNBEOTDWTVCZ-IPJJNNNSSA-N 1 0 474.675 3.156 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001303845333 1068479358 /nfs/dbraw/zinc/47/93/58/1068479358.db2.gz MSRNBEOTDWTVCZ-JQVVWYNYSA-N 1 0 474.675 3.156 20 0 JGADRO CC(C)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001303846505 1068480550 /nfs/dbraw/zinc/48/05/50/1068480550.db2.gz AHKBDISMNFQEGM-RTWAWAEBSA-N 1 0 480.723 3.417 20 0 JGADRO CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001305279361 1068482288 /nfs/dbraw/zinc/48/22/88/1068482288.db2.gz NIAJYURSQYNERA-PZJWPPBQSA-N 1 0 476.691 3.425 20 0 JGADRO CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001305284958 1068486434 /nfs/dbraw/zinc/48/64/34/1068486434.db2.gz IYSOXTQMPCIXNR-HXUWFJFHSA-N 1 0 484.645 3.045 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303851004 1068487284 /nfs/dbraw/zinc/48/72/84/1068487284.db2.gz ARILEGJTGSVHHB-YJBOKZPZSA-N 1 0 494.712 3.267 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001303851396 1068489040 /nfs/dbraw/zinc/48/90/40/1068489040.db2.gz FPPJDSUGAIFVBF-PWIZWCRZSA-N 1 0 490.605 3.265 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1CC[NH+]1CCCCCC1 ZINC001303851556 1068489674 /nfs/dbraw/zinc/48/96/74/1068489674.db2.gz GQYRVBJINFSWOF-WIYYLYMNSA-N 1 0 478.638 3.245 20 0 JGADRO CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001305288985 1068492037 /nfs/dbraw/zinc/49/20/37/1068492037.db2.gz VGAYBXMNMOQPIO-QFIPXVFZSA-N 1 0 482.673 3.468 20 0 JGADRO CCC(C)(C)Cn1c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305290348 1068493165 /nfs/dbraw/zinc/49/31/65/1068493165.db2.gz SEKHAIUQEOKUEH-NBGIEHNGSA-N 1 0 463.667 3.444 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCCCC[NH+]1CCCC1 ZINC001303853820 1068493636 /nfs/dbraw/zinc/49/36/36/1068493636.db2.gz SWYJMDMJVHEVED-QPPBQGQZSA-N 1 0 478.707 3.481 20 0 JGADRO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001305290643 1068493820 /nfs/dbraw/zinc/49/38/20/1068493820.db2.gz ZHJDSQDONGCKOU-RDPSFJRHSA-N 1 0 475.037 3.087 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCCCC[NH+]1CCCC1 ZINC001303854356 1068494075 /nfs/dbraw/zinc/49/40/75/1068494075.db2.gz SWYJMDMJVHEVED-ZJSXRUAMSA-N 1 0 478.707 3.481 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCc2ccccc21 ZINC001303856643 1068496964 /nfs/dbraw/zinc/49/69/64/1068496964.db2.gz ZCOPRJOBFVAANX-FPOVZHCZSA-N 1 0 488.702 3.319 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303858067 1068498790 /nfs/dbraw/zinc/49/87/90/1068498790.db2.gz OQUZMHNFLGEYMW-XUVXKRRUSA-N 1 0 494.731 3.426 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC001303858784 1068499341 /nfs/dbraw/zinc/49/93/41/1068499341.db2.gz GCXYEWHZJSJYPF-BZSNNMDCSA-N 1 0 481.066 3.191 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCCc1ccccc1 ZINC001303864691 1068502239 /nfs/dbraw/zinc/50/22/39/1068502239.db2.gz FXILBYOYHLVPDF-HXUWFJFHSA-N 1 0 476.691 3.079 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305295462 1068502774 /nfs/dbraw/zinc/50/27/74/1068502774.db2.gz QOIJNKXAYXGGKG-YWZLYKJASA-N 1 0 484.464 3.231 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303874884 1068509143 /nfs/dbraw/zinc/50/91/43/1068509143.db2.gz FKUAMYNCTBFOER-MOPGFXCFSA-N 1 0 498.763 3.265 20 0 JGADRO C[C@@](O)(C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303878650 1068513436 /nfs/dbraw/zinc/51/34/36/1068513436.db2.gz FBXSFMRALRYBNG-PGRDOPGGSA-N 1 0 486.583 3.025 20 0 JGADRO CC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305307341 1068515376 /nfs/dbraw/zinc/51/53/76/1068515376.db2.gz LKJPMUHGXGJOFR-UNVFRBQDSA-N 1 0 490.643 3.303 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303879846 1068516573 /nfs/dbraw/zinc/51/65/73/1068516573.db2.gz ZZXUARNOBWVZGZ-STZQEDGTSA-N 1 0 492.665 3.095 20 0 JGADRO CCCN(C(=O)c1cn(CCO)nc1C1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305308473 1068516854 /nfs/dbraw/zinc/51/68/54/1068516854.db2.gz YPVJZPGGKAMHCO-UHFFFAOYSA-N 1 0 454.615 3.286 20 0 JGADRO C[C@](O)(C1CCN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1)C(F)(F)F ZINC001303881121 1068519397 /nfs/dbraw/zinc/51/93/97/1068519397.db2.gz VGFJMTNFSZXEDH-CVDCTZTESA-N 1 0 496.578 3.107 20 0 JGADRO C[C@H](O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001303889879 1068528288 /nfs/dbraw/zinc/52/82/88/1068528288.db2.gz INTRJAQPONVQLA-FQEVSTJZSA-N 1 0 468.646 3.174 20 0 JGADRO CC[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001305315252 1068529365 /nfs/dbraw/zinc/52/93/65/1068529365.db2.gz SJJSFZUJUXIXFL-HHHXNRCGSA-N 1 0 484.689 3.055 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C(C)C ZINC001303895539 1068533301 /nfs/dbraw/zinc/53/33/01/1068533301.db2.gz NMHHJKRKWXPTAM-HOYKHHGWSA-N 1 0 460.598 3.378 20 0 JGADRO CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001305318211 1068534272 /nfs/dbraw/zinc/53/42/72/1068534272.db2.gz XFYSUMMKHWXBIY-XHVFSLISSA-N 1 0 463.667 3.254 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC(C)(F)F ZINC001303897909 1068539433 /nfs/dbraw/zinc/53/94/33/1068539433.db2.gz MYODBODTSSLIJE-XLIONFOSSA-N 1 0 494.562 3.345 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001305321703 1068539533 /nfs/dbraw/zinc/53/95/33/1068539533.db2.gz ZQWVBBALXBIEEJ-DMJCMNNJSA-N 1 0 457.619 3.434 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001305321499 1068539768 /nfs/dbraw/zinc/53/97/68/1068539768.db2.gz GOUYAFNNDUFAAM-UNVFRBQDSA-N 1 0 466.630 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CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1)[NH+](C)C ZINC001305707063 1069096533 /nfs/dbraw/zinc/09/65/33/1069096533.db2.gz PUHFIGMRVQLPJY-BKMJKUGQSA-N 1 0 470.662 3.189 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)[NH+](C)C ZINC001305706889 1069097026 /nfs/dbraw/zinc/09/70/26/1069097026.db2.gz CXNDZISPYOCGKL-MBSDFSHPSA-N 1 0 476.025 3.391 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001305707775 1069098495 /nfs/dbraw/zinc/09/84/95/1069098495.db2.gz GEAKQDSJTIRIQD-SQJMNOBHSA-N 1 0 489.686 3.335 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001305707420 1069098599 /nfs/dbraw/zinc/09/85/99/1069098599.db2.gz FEMFNSOEWVARTO-LEOXJPRUSA-N 1 0 459.610 3.428 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001305707739 1069098823 /nfs/dbraw/zinc/09/88/23/1069098823.db2.gz SXHNTMSJMWVPKD-DVECYGJZSA-N 1 0 450.672 3.424 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ncccc2F)CC1)[NH+](C)C ZINC001305707666 1069098908 /nfs/dbraw/zinc/09/89/08/1069098908.db2.gz RMMZFINKTCNUNI-QFIPXVFZSA-N 1 0 483.640 3.296 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)[NH+](C)C ZINC001305708016 1069099482 /nfs/dbraw/zinc/09/94/82/1069099482.db2.gz SJONXIAPIYNSTL-DENIHFKCSA-N 1 0 455.651 3.400 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(S(=O)(=O)CC)CC1)[NH+](C)C ZINC001305708614 1069101148 /nfs/dbraw/zinc/10/11/48/1069101148.db2.gz WPONXVKTFDAZEV-NRFANRHFSA-N 1 0 464.680 3.054 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001305708530 1069101202 /nfs/dbraw/zinc/10/12/02/1069101202.db2.gz KIAUMRDLGKSEJW-BAGYTPMASA-N 1 0 498.672 3.291 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001305708889 1069102108 /nfs/dbraw/zinc/10/21/08/1069102108.db2.gz LJJKMDZQUOGCQX-FXAWDEMLSA-N 1 0 463.026 3.356 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(NC(C)=O)CC1)[NH+]1CCOCC1 ZINC001305709242 1069103238 /nfs/dbraw/zinc/10/32/38/1069103238.db2.gz BFUGYNVOWKLUEY-HSZRJFAPSA-N 1 0 460.667 3.178 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)C(C)=O)CC1)[NH+]1CCOCC1 ZINC001305709217 1069103244 /nfs/dbraw/zinc/10/32/44/1069103244.db2.gz AUYRKIHMDZWLKK-VWLOTQADSA-N 1 0 497.688 3.233 20 0 JGADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCC(NC(C)=O)CC1)[NH+]1CCOCC1 ZINC001305709243 1069103250 /nfs/dbraw/zinc/10/32/50/1069103250.db2.gz BFUGYNVOWKLUEY-QHCPKHFHSA-N 1 0 460.667 3.178 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCOCC1 ZINC001305709712 1069104789 /nfs/dbraw/zinc/10/47/89/1069104789.db2.gz RDPOORMAOSBRLP-QHCPKHFHSA-N 1 0 498.672 3.149 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1)[NH+](C)C ZINC001305709921 1069106148 /nfs/dbraw/zinc/10/61/48/1069106148.db2.gz CCQAMBUSBQDZOW-VXKWHMMOSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001305710347 1069107305 /nfs/dbraw/zinc/10/73/05/1069107305.db2.gz VAVAFZRAXCRWAY-NVQXNPDNSA-N 1 0 468.646 3.092 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001305710484 1069107867 /nfs/dbraw/zinc/10/78/67/1069107867.db2.gz HNZYMFNXALTQTI-ZRBLBEILSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)[NH+](C)C ZINC001305710365 1069107883 /nfs/dbraw/zinc/10/78/83/1069107883.db2.gz VLQLBMRWIIHWPJ-JBACZVJFSA-N 1 0 457.575 3.434 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001305710727 1069108340 /nfs/dbraw/zinc/10/83/40/1069108340.db2.gz IIDFYBHGZSCOHI-OFVILXPXSA-N 1 0 456.610 3.233 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)(C(=O)NC)C1)[NH+](C)C ZINC001305710662 1069108359 /nfs/dbraw/zinc/10/83/59/1069108359.db2.gz WULCUNFVFYVNHH-MBSDFSHPSA-N 1 0 462.042 3.322 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001305710889 1069108868 /nfs/dbraw/zinc/10/88/68/1069108868.db2.gz XJKMKXCTKAOQSX-GOTSBHOMSA-N 1 0 495.672 3.387 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)[NH+](C)C ZINC001305711061 1069109476 /nfs/dbraw/zinc/10/94/76/1069109476.db2.gz AJLKMPJSNGZVTO-FCEUIQTBSA-N 1 0 462.683 3.232 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)[C@@H]1CC)[NH+](C)C ZINC001305711131 1069109565 /nfs/dbraw/zinc/10/95/65/1069109565.db2.gz KRYNZOOLRPQYMJ-LEWJYISDSA-N 1 0 462.589 3.228 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001305711346 1069110579 /nfs/dbraw/zinc/11/05/79/1069110579.db2.gz LGSMXEOYUVISNG-PKTZIBPZSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cncn2)C1)[NH+](C)C ZINC001305711719 1069111536 /nfs/dbraw/zinc/11/15/36/1069111536.db2.gz NZRJHZCGVMIIPG-YADHBBJMSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C)(COC)CC1)[NH+]1CCOCC1 ZINC001305711732 1069111596 /nfs/dbraw/zinc/11/15/96/1069111596.db2.gz CQJVVCMCUYJGNJ-VXKWHMMOSA-N 1 0 463.667 3.172 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001305712096 1069112501 /nfs/dbraw/zinc/11/25/01/1069112501.db2.gz PJPHZJDZYWSEQG-QFQXNSOFSA-N 1 0 487.693 3.192 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1)[NH+]1CCOCC1 ZINC001305712450 1069113040 /nfs/dbraw/zinc/11/30/40/1069113040.db2.gz RAGKQWJCLMERMO-UFHPHHKVSA-N 1 0 496.700 3.277 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305712865 1069113799 /nfs/dbraw/zinc/11/37/99/1069113799.db2.gz SJPSGEKFPMMWJE-UVWWXKGLSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305712863 1069113847 /nfs/dbraw/zinc/11/38/47/1069113847.db2.gz SJPSGEKFPMMWJE-CHZKFRDHSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCOCC1)[NH+]1CCOCC1 ZINC001305712935 1069113981 /nfs/dbraw/zinc/11/39/81/1069113981.db2.gz UCEMFZZTCNSMLS-JOCHJYFZSA-N 1 0 463.573 3.121 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001305713094 1069114627 /nfs/dbraw/zinc/11/46/27/1069114627.db2.gz WMQFCFWPMHIVSB-HSZRJFAPSA-N 1 0 466.634 3.155 20 0 JGADRO CCC(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001305713304 1069114637 /nfs/dbraw/zinc/11/46/37/1069114637.db2.gz FZWVSVMSKQXEIO-PXDATVDWSA-N 1 0 472.609 3.079 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C ZINC001305713280 1069114745 /nfs/dbraw/zinc/11/47/45/1069114745.db2.gz FNOWAMLPSKXWAU-DHIUTWEWSA-N 1 0 486.636 3.484 20 0 JGADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001305713329 1069115347 /nfs/dbraw/zinc/11/53/47/1069115347.db2.gz GRYPYJUCTDMNSU-ISKFKSNPSA-N 1 0 470.662 3.053 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)[NH+](C)C ZINC001305713472 1069115967 /nfs/dbraw/zinc/11/59/67/1069115967.db2.gz JAXSNSSLXNTVLU-VXKWHMMOSA-N 1 0 461.676 3.491 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001305713690 1069116359 /nfs/dbraw/zinc/11/63/59/1069116359.db2.gz ZAKUBQFFQSDMBH-VGOFRKELSA-N 1 0 451.619 3.460 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+](C)C ZINC001305714295 1069117659 /nfs/dbraw/zinc/11/76/59/1069117659.db2.gz KRKNRDKCDNWDTI-YADHBBJMSA-N 1 0 462.683 3.232 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305714827 1069118965 /nfs/dbraw/zinc/11/89/65/1069118965.db2.gz ZCDXIJHYECOAJV-UVWWXKGLSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c(N2CCS[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+]1CCOCC1 ZINC001305715234 1069120260 /nfs/dbraw/zinc/12/02/60/1069120260.db2.gz MBOYFIMLJMKUMQ-JLRUASKGSA-N 1 0 495.734 3.397 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001305716576 1069122942 /nfs/dbraw/zinc/12/29/42/1069122942.db2.gz QHZKNHHGECNQPR-BVAGGSTKSA-N 1 0 487.714 3.445 20 0 JGADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+]1CCOCC1 ZINC001305716896 1069123562 /nfs/dbraw/zinc/12/35/62/1069123562.db2.gz QHWFGEJNDHMNTB-QHCPKHFHSA-N 1 0 474.694 3.377 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CC1COC(C)(C)OC1)[NH+]1CCOCC1 ZINC001305716873 1069123642 /nfs/dbraw/zinc/12/36/42/1069123642.db2.gz QGJMGTLQRKESJU-PKTZIBPZSA-N 1 0 493.693 3.492 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cscn1)[NH+]1CCOCC1 ZINC001305717415 1069124886 /nfs/dbraw/zinc/12/48/86/1069124886.db2.gz SUFNMGWCNONQCP-FPOVZHCZSA-N 1 0 462.664 3.402 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)[NH+](C)C ZINC001305718035 1069125286 /nfs/dbraw/zinc/12/52/86/1069125286.db2.gz VJNKEROKKALGEU-VQTJNVASSA-N 1 0 477.723 3.152 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)[NH+](C)C ZINC001305718030 1069125349 /nfs/dbraw/zinc/12/53/49/1069125349.db2.gz VJNKEROKKALGEU-PMACEKPBSA-N 1 0 477.723 3.152 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccco2)CC1)[NH+](C)C ZINC001305718018 1069125380 /nfs/dbraw/zinc/12/53/80/1069125380.db2.gz XNYZQWAEHZRQIZ-JOCHJYFZSA-N 1 0 496.660 3.062 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccco2)CC1)[NH+](C)C ZINC001305718019 1069125414 /nfs/dbraw/zinc/12/54/14/1069125414.db2.gz XNYZQWAEHZRQIZ-QFIPXVFZSA-N 1 0 496.660 3.062 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001305718230 1069125918 /nfs/dbraw/zinc/12/59/18/1069125918.db2.gz WQJOTEMEMKJUHU-VXKWHMMOSA-N 1 0 459.639 3.027 20 0 JGADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1)[NH+]1CCOCC1 ZINC001305718298 1069125957 /nfs/dbraw/zinc/12/59/57/1069125957.db2.gz YMTGWGXCTUAAKQ-DEOSSOPVSA-N 1 0 498.672 3.089 20 0 JGADRO CCC(CC)[C@@H](Cn1c(N(C)Cc2cccc(C(N)=O)c2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305718377 1069125997 /nfs/dbraw/zinc/12/59/97/1069125997.db2.gz ZGVXZRGHXSHUDH-JOCHJYFZSA-N 1 0 470.662 3.448 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCC1 ZINC001305723694 1069137380 /nfs/dbraw/zinc/13/73/80/1069137380.db2.gz PHQNRBSXUJOPCZ-JOCHJYFZSA-N 1 0 468.646 3.212 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001305728219 1069148351 /nfs/dbraw/zinc/14/83/51/1069148351.db2.gz JDKSTGHEJOWJBY-VQTJNVASSA-N 1 0 468.646 3.116 20 0 JGADRO C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3c(F)cccc3Cl)c3cnccc32)CC1 ZINC001305732074 1069151933 /nfs/dbraw/zinc/15/19/33/1069151933.db2.gz VBGZJVSGKKVXMQ-UHFFFAOYSA-N 1 0 455.921 3.148 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001305735160 1069155251 /nfs/dbraw/zinc/15/52/51/1069155251.db2.gz KUMPKTJJQZJMFW-FCEUIQTBSA-N 1 0 487.693 3.099 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305735300 1069155781 /nfs/dbraw/zinc/15/57/81/1069155781.db2.gz FZKAYVMOXIEAML-BVSLBCMMSA-N 1 0 474.694 3.447 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1C[C@H](C)[NH+](C)C ZINC001305736053 1069157856 /nfs/dbraw/zinc/15/78/56/1069157856.db2.gz MQIDUZZBWTVJHA-XMNZWCOLSA-N 1 0 460.667 3.321 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@](C)(O)c1ccccc1Cl ZINC001305737949 1069162293 /nfs/dbraw/zinc/16/22/93/1069162293.db2.gz ARMDQAWMRYVRGO-FXJWSJNKSA-N 1 0 489.064 3.431 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305741135 1069172994 /nfs/dbraw/zinc/17/29/94/1069172994.db2.gz KPGBMUHOZJBOQP-UHFFFAOYSA-N 1 0 486.661 3.225 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741526 1069173698 /nfs/dbraw/zinc/17/36/98/1069173698.db2.gz STXVOQOHZVKSQB-ACRUOGEOSA-N 1 0 495.672 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CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCCC1CCOCC1 ZINC001305757145 1069213461 /nfs/dbraw/zinc/21/34/61/1069213461.db2.gz SXBXFAIZLFAYPN-QFIPXVFZSA-N 1 0 460.667 3.468 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC1(C)CCCC1 ZINC001305757232 1069213767 /nfs/dbraw/zinc/21/37/67/1069213767.db2.gz WPGONFGQTWXHGV-JOCHJYFZSA-N 1 0 473.710 3.382 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305762529 1069230920 /nfs/dbraw/zinc/23/09/20/1069230920.db2.gz SZNCMUGWRHCWOU-OAQYLSRUSA-N 1 0 454.619 3.339 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3OCCC[C@@H]3C2)n1CC[N@H+](C)C1CCCCC1 ZINC001305764126 1069233278 /nfs/dbraw/zinc/23/32/78/1069233278.db2.gz JOEWMRPTKNFQAR-DENIHFKCSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCN(Cc4ccccc4)[C@H]32)n1C[C@@H](C)[NH+](C)C ZINC001305765081 1069235374 /nfs/dbraw/zinc/23/53/74/1069235374.db2.gz SBPVXGNVHDMKKX-QVNIBDNGSA-N 1 0 467.662 3.205 20 0 JGADRO 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CCC(CC)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001305775605 1069257661 /nfs/dbraw/zinc/25/76/61/1069257661.db2.gz BKDNDGCIZURUJR-UHFFFAOYSA-N 1 0 488.706 3.102 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CC(C)(C)C[NH+](C)C ZINC001305775757 1069258112 /nfs/dbraw/zinc/25/81/12/1069258112.db2.gz DVFNBHTYYJAKAX-UHFFFAOYSA-N 1 0 488.656 3.035 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305776484 1069260490 /nfs/dbraw/zinc/26/04/90/1069260490.db2.gz ULTFBVPFZVAXMK-XQBPLPMBSA-N 1 0 470.666 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCC(=O)NC(C)(C)C ZINC001305777241 1069262778 /nfs/dbraw/zinc/26/27/78/1069262778.db2.gz XDSPRHKPKFMXCH-UHFFFAOYSA-N 1 0 497.688 3.214 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CC[N@H+]1CC=CCC1 ZINC001305777670 1069263740 /nfs/dbraw/zinc/26/37/40/1069263740.db2.gz OGQKQCPRIMANAX-HSZRJFAPSA-N 1 0 466.630 3.426 20 0 JGADRO 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CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305793317 1069308725 /nfs/dbraw/zinc/30/87/25/1069308725.db2.gz YLERGTLFOVDBQB-KYTVRQNUSA-N 1 0 492.709 3.337 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CC[NH+]1CCCC1 ZINC001305793366 1069308995 /nfs/dbraw/zinc/30/89/95/1069308995.db2.gz FDQJNWRWTXGLJB-OAQYLSRUSA-N 1 0 476.572 3.148 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)C)C2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001305793681 1069309844 /nfs/dbraw/zinc/30/98/44/1069309844.db2.gz ZGCGWDUZQVMLRK-JOCHJYFZSA-N 1 0 483.661 3.410 20 0 JGADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC4(CCCC[NH2+]4)CC3)c2c1C ZINC001164387265 718803384 /nfs/dbraw/zinc/80/33/84/718803384.db2.gz KWQOSUDXSALLPN-UHFFFAOYSA-N 1 0 473.643 3.121 20 0 JGADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)Nc4ccccc4[C@@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164401515 718857559 /nfs/dbraw/zinc/85/75/59/718857559.db2.gz FZQGGMLHZHSGRE-IHPCNDPISA-N 1 0 477.609 3.053 20 0 JGADRO F[C@]1(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164422814 718915421 /nfs/dbraw/zinc/91/54/21/718915421.db2.gz BITVGIWQARGAQL-GOTSBHOMSA-N 1 0 496.414 3.002 20 0 JGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164425870 718916013 /nfs/dbraw/zinc/91/60/13/718916013.db2.gz WCTNXQZADSZBDJ-NIYFSFCBSA-N 1 0 485.698 3.387 20 0 JGADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)n1 ZINC001164425321 718918342 /nfs/dbraw/zinc/91/83/42/718918342.db2.gz RQONJFUGBLMOIA-DEOSSOPVSA-N 1 0 453.612 3.005 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C3(CC[C@@]2(C(=O)OCC)C1)CC[NH2+]CC3 ZINC001164616191 719007235 /nfs/dbraw/zinc/00/72/35/719007235.db2.gz KNZUQZKLSSJGME-QVKFZJNVSA-N 1 0 486.947 3.001 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164613990 719007821 /nfs/dbraw/zinc/00/78/21/719007821.db2.gz BCLOMERHXYCZJN-OPAMFIHVSA-N 1 0 483.991 3.424 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164619917 719008359 /nfs/dbraw/zinc/00/83/59/719008359.db2.gz XODPAXXLDCMURB-BTYIYWSLSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164614030 719009453 /nfs/dbraw/zinc/00/94/53/719009453.db2.gz BMODXIHDFLSFDU-VFNWGFHPSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001164619631 719010034 /nfs/dbraw/zinc/01/00/34/719010034.db2.gz WKSYTKFICFAFBH-HRAATJIYSA-N 1 0 465.932 3.372 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164614190 719010382 /nfs/dbraw/zinc/01/03/82/719010382.db2.gz DHDQELQIFJMCBG-PUCZYUMASA-N 1 0 476.927 3.085 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN([C@@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164614187 719010586 /nfs/dbraw/zinc/01/05/86/719010586.db2.gz DHDQELQIFJMCBG-OREJSRFESA-N 1 0 476.927 3.085 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164618867 719011468 /nfs/dbraw/zinc/01/14/68/719011468.db2.gz UELQYFQISNNINA-YCRPNKLZSA-N 1 0 481.931 3.479 20 0 JGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164618298 719017525 /nfs/dbraw/zinc/01/75/25/719017525.db2.gz SAHSDGSBCOXKLK-YTQUADARSA-N 1 0 469.655 3.142 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164614699 719017662 /nfs/dbraw/zinc/01/76/62/719017662.db2.gz GEPCALUDYNWOOF-NBMJBFSESA-N 1 0 469.655 3.142 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4cc(C(=O)OC)ccc43)CC2)CC1 ZINC001164616417 719027472 /nfs/dbraw/zinc/02/74/72/719027472.db2.gz DMPFFOMPICTGQC-UHFFFAOYSA-N 1 0 460.962 3.314 20 0 JGADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164630106 719092386 /nfs/dbraw/zinc/09/23/86/719092386.db2.gz VIMCOEOHRBCUOL-MAUKXSAKSA-N 1 0 456.946 3.028 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnoc3C)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164649296 719320821 /nfs/dbraw/zinc/32/08/21/719320821.db2.gz BZLCGWLRYZNSQO-BQUSRXHISA-N 1 0 453.587 3.339 20 0 JGADRO C[N@@H+]1CCO[C@H]2CN(c3nc4nc[nH]c4c(N(Cc4ccccc4)Cc4ccccc4)n3)C[C@H]21 ZINC001164673130 719406851 /nfs/dbraw/zinc/40/68/51/719406851.db2.gz SMAUJDRTJWZNIR-YADHBBJMSA-N 1 0 455.566 3.079 20 0 JGADRO O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1)N1CCCC1 ZINC001164679328 719547775 /nfs/dbraw/zinc/54/77/75/719547775.db2.gz XTPVDLCEXPQXDQ-LSTHTHJFSA-N 1 0 466.960 3.263 20 0 JGADRO CCN(C)c1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680982 719655634 /nfs/dbraw/zinc/65/56/34/719655634.db2.gz KOYRSOHFJXXCHU-FQEVSTJZSA-N 1 0 450.631 3.026 20 0 JGADRO CSc1nc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684245 719663743 /nfs/dbraw/zinc/66/37/43/719663743.db2.gz WNOGBHZOQDDRCC-MRXNPFEDSA-N 1 0 475.062 3.340 20 0 JGADRO CCOC(=O)c1cccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684290 719664893 /nfs/dbraw/zinc/66/48/93/719664893.db2.gz WTRQGVXDEAYAIV-FQEVSTJZSA-N 1 0 464.610 3.352 20 0 JGADRO COCc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C)n1 ZINC001164680363 719666305 /nfs/dbraw/zinc/66/63/05/719666305.db2.gz DASLPTZMTQFIQM-HXUWFJFHSA-N 1 0 451.615 3.025 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(OCC4CC4)ncn3)CC2)c2ccccc21 ZINC001164683188 719672257 /nfs/dbraw/zinc/67/22/57/719672257.db2.gz RBGKLJUDANCJGF-OAQYLSRUSA-N 1 0 463.626 3.359 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN([C@H](F)Oc3ccc(Cl)nn3)CC2)c2ccccc21 ZINC001164686469 719684562 /nfs/dbraw/zinc/68/45/62/719684562.db2.gz NBVFPQSVNYFIPE-SBUREZEXSA-N 1 0 475.996 3.351 20 0 JGADRO Cc1sc2nc(CN3CCOCC3)nc(N(c3ncccc3F)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC001164690802 719761460 /nfs/dbraw/zinc/76/14/60/719761460.db2.gz ILXUEJSYVYUPAM-BVZFJXPGSA-N 1 0 498.628 3.334 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@H]3C2)nc1 ZINC001164702583 719820020 /nfs/dbraw/zinc/82/00/20/719820020.db2.gz SDKKNEWXRMPVDK-GATIMQMVSA-N 1 0 463.626 3.366 20 0 JGADRO NC(=O)c1ccc(-c2cnc3n2CCC32CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)cc1 ZINC001164697378 719830465 /nfs/dbraw/zinc/83/04/65/719830465.db2.gz NVSWLACFPVINGF-UHFFFAOYSA-N 1 0 486.620 3.461 20 0 JGADRO CC(=O)Oc1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2cc1OC(C)=O ZINC001164698990 719896012 /nfs/dbraw/zinc/89/60/12/719896012.db2.gz VIBRGKMOGAPULU-UHFFFAOYSA-N 1 0 496.589 3.413 20 0 JGADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697553 719896194 /nfs/dbraw/zinc/89/61/94/719896194.db2.gz KVSRKWLNZGEOIE-UHFFFAOYSA-N 1 0 458.628 3.491 20 0 JGADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706304 719898490 /nfs/dbraw/zinc/89/84/90/719898490.db2.gz HKIOCCJNQRSWEJ-UHFFFAOYSA-N 1 0 454.934 3.436 20 0 JGADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164707080 719898560 /nfs/dbraw/zinc/89/85/60/719898560.db2.gz NBYPQKQILGOVNW-LJQANCHMSA-N 1 0 478.684 3.481 20 0 JGADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164804506 720053038 /nfs/dbraw/zinc/05/30/38/720053038.db2.gz LJDBIGCBSAFTST-UGKGYDQZSA-N 1 0 479.959 3.308 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)c3cnccn3)C2)nc1 ZINC001164716319 720055950 /nfs/dbraw/zinc/05/59/50/720055950.db2.gz VLFWAOBONXQMBX-FDHFVPJWSA-N 1 0 464.614 3.222 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)nc1 ZINC001164713306 720087115 /nfs/dbraw/zinc/08/71/15/720087115.db2.gz SIWVNRKYJQFJMN-VUMQFKOGSA-N 1 0 456.631 3.394 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164714855 720117287 /nfs/dbraw/zinc/11/72/87/720117287.db2.gz CRTGJEAVGCYZNT-FQEVSTJZSA-N 1 0 452.603 3.364 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1/C=C/C(=O)OC)CC2 ZINC001164713556 720132322 /nfs/dbraw/zinc/13/23/22/720132322.db2.gz RWTZJKFMZHVESV-NDEDVSTASA-N 1 0 450.583 3.479 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1/C=C\C(=O)OC)CC2 ZINC001164713557 720133431 /nfs/dbraw/zinc/13/34/31/720133431.db2.gz RWTZJKFMZHVESV-XBKFQHLESA-N 1 0 450.583 3.479 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164714780 720138403 /nfs/dbraw/zinc/13/84/03/720138403.db2.gz YZNXCLDODHIRJO-QGZVFWFLSA-N 1 0 484.988 3.300 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)COc1ccc(Cl)nn1)CC2 ZINC001164713534 720141359 /nfs/dbraw/zinc/14/13/59/720141359.db2.gz RLSPDGIIHOWLOU-SFHVURJKSA-N 1 0 467.948 3.500 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815024 720148042 /nfs/dbraw/zinc/14/80/42/720148042.db2.gz GVTFJWVBAGFRNI-IQGLISFBSA-N 1 0 458.603 3.038 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]1)C2 ZINC001164817901 720157817 /nfs/dbraw/zinc/15/78/17/720157817.db2.gz QRARKMFCQGGJGA-SKCUWOTOSA-N 1 0 476.621 3.431 20 0 JGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164715785 720157847 /nfs/dbraw/zinc/15/78/47/720157847.db2.gz WQMXUQQEPHDQRS-IBGZPJMESA-N 1 0 473.021 3.172 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@]34CCN(C)C4=O)CC2)nc1 ZINC001164716479 720161699 /nfs/dbraw/zinc/16/16/99/720161699.db2.gz ZRHPDSCIPOMKIN-AMGIVPHBSA-N 1 0 482.673 3.061 20 0 JGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@@]34CCN(C)C4=O)CC2)nc1 ZINC001164716481 720162188 /nfs/dbraw/zinc/16/21/88/720162188.db2.gz ZRHPDSCIPOMKIN-WXVAWEFUSA-N 1 0 482.673 3.061 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)nc3ccc(Cl)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715794 720165101 /nfs/dbraw/zinc/16/51/01/720165101.db2.gz WRWKUIUXAPJEOY-SFHVURJKSA-N 1 0 462.385 3.281 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164815707 720168941 /nfs/dbraw/zinc/16/89/41/720168941.db2.gz IWTCCUCYMSJZPD-NFQMXDRXSA-N 1 0 497.709 3.197 20 0 JGADRO Cn1nnc2c1CCN(c1ncnc3cc(C(C)(C)C)sc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164719492 720174298 /nfs/dbraw/zinc/17/42/98/720174298.db2.gz VNDNXQAONYNKEB-SFHVURJKSA-N 1 0 455.632 3.334 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)C2 ZINC001164814265 720175869 /nfs/dbraw/zinc/17/58/69/720175869.db2.gz FKQSNYJWFMGCHD-AJTFRIOCSA-N 1 0 480.632 3.127 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001164815591 720176928 /nfs/dbraw/zinc/17/69/28/720176928.db2.gz IKYSIIYHIHIYCI-HRAATJIYSA-N 1 0 463.007 3.024 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c(Cl)cccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717010 720178720 /nfs/dbraw/zinc/17/87/20/720178720.db2.gz IZYLBJJSSNASPG-KRWDZBQOSA-N 1 0 462.385 3.281 20 0 JGADRO Cn1nnc2c1CCN(c1cc(Cl)nnc1-c1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717054 720182734 /nfs/dbraw/zinc/18/27/34/720182734.db2.gz JVCUGJWMRFSUTD-FQEVSTJZSA-N 1 0 453.978 3.142 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717750 720182778 /nfs/dbraw/zinc/18/27/78/720182778.db2.gz MDOFPEAQLVEAJA-QGZVFWFLSA-N 1 0 465.936 3.106 20 0 JGADRO Cn1nnc2c1CCN(c1ncc(Cl)nc1-c1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717137 720199617 /nfs/dbraw/zinc/19/96/17/720199617.db2.gz SNRPSVAOLXCQTE-LJQANCHMSA-N 1 0 453.978 3.142 20 0 JGADRO Cn1nnc2c1CCN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715135 720199726 /nfs/dbraw/zinc/19/97/26/720199726.db2.gz JECWMQXLIOXLOS-IBGZPJMESA-N 1 0 471.968 3.281 20 0 JGADRO Cn1nnc2c1CCN(c1cc(-c3ccc(Cl)nn3)ccc1F)[C@H]2COCC[NH+]1CCCC1 ZINC001164714997 720199747 /nfs/dbraw/zinc/19/97/47/720199747.db2.gz IKQDFQZUPNZBFY-NRFANRHFSA-N 1 0 471.968 3.281 20 0 JGADRO COc1cc2cnc(Cl)cc2cc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716705 720206777 /nfs/dbraw/zinc/20/67/77/720206777.db2.gz DBGFVLRUWIJNGZ-FQEVSTJZSA-N 1 0 456.978 3.242 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3cccnc3)nc3ccccc31)CCC2 ZINC001164813529 720235860 /nfs/dbraw/zinc/23/58/60/720235860.db2.gz PDPQLDYMNHPNQK-UHFFFAOYSA-N 1 0 455.566 3.499 20 0 JGADRO Cc1ccc(-c2nc3c(ncnc3N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)o2)cc1 ZINC001164814490 720238778 /nfs/dbraw/zinc/23/87/78/720238778.db2.gz VLOFPLXGTYKRDB-UHFFFAOYSA-N 1 0 459.554 3.400 20 0 JGADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1Cl ZINC001164819240 720304975 /nfs/dbraw/zinc/30/49/75/720304975.db2.gz CYMGRHUPFLJBQJ-SJORKVTESA-N 1 0 469.413 3.477 20 0 JGADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc21 ZINC001164827210 720316444 /nfs/dbraw/zinc/31/64/44/720316444.db2.gz HDTCTXCPBFQGAF-XZOQPEGZSA-N 1 0 450.583 3.323 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc3ncnc(Cl)c3n2)CC1 ZINC001164831333 720325556 /nfs/dbraw/zinc/32/55/56/720325556.db2.gz QWMNZHZAMACNJQ-IRXDYDNUSA-N 1 0 464.948 3.135 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc(Oc3cccc(F)c3)n2)CC1 ZINC001164834338 720328110 /nfs/dbraw/zinc/32/81/10/720328110.db2.gz ZGMOYZMPGQBPCU-RTBURBONSA-N 1 0 474.968 3.368 20 0 JGADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833406 720328320 /nfs/dbraw/zinc/32/83/20/720328320.db2.gz WTWXJRNAUYJSTE-XZOQPEGZSA-N 1 0 450.583 3.323 20 0 JGADRO COc1cccc(Oc2cncc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164832980 720329506 /nfs/dbraw/zinc/32/95/06/720329506.db2.gz VEIMWAMKHKPLFH-YADHBBJMSA-N 1 0 451.571 3.189 20 0 JGADRO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164832975 720329620 /nfs/dbraw/zinc/32/96/20/720329620.db2.gz VEIMWAMKHKPLFH-FCHUYYIVSA-N 1 0 451.571 3.189 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(-c3nc(C(C)(C)C)no3)ccn2)CC1 ZINC001164832932 720333057 /nfs/dbraw/zinc/33/30/57/720333057.db2.gz UYFOQBRMCZFERR-PMACEKPBSA-N 1 0 452.603 3.341 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2c3c(nnc2Cl)CCC3)CC1 ZINC001164825779 720340827 /nfs/dbraw/zinc/34/08/27/720340827.db2.gz JSHUUVNHTMAKEP-ROUUACIJSA-N 1 0 453.965 3.075 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(C3CC3)nnc2Cl)CC1 ZINC001164828847 720341003 /nfs/dbraw/zinc/34/10/03/720341003.db2.gz QHTOADMIGJFEKU-RBUKOAKNSA-N 1 0 453.965 3.464 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2c3c(nnc2Cl)CCC3)CC1 ZINC001164825785 720341035 /nfs/dbraw/zinc/34/10/35/720341035.db2.gz JSHUUVNHTMAKEP-ZWKOTPCHSA-N 1 0 453.965 3.075 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC001164828717 720341178 /nfs/dbraw/zinc/34/11/78/720341178.db2.gz PLFZCIUZHZYMNN-YADHBBJMSA-N 1 0 474.049 3.319 20 0 JGADRO COc1ccc(OC)c(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164829265 720345510 /nfs/dbraw/zinc/34/55/10/720345510.db2.gz QZUYZUMJNSDQIE-PKTZIBPZSA-N 1 0 465.598 3.072 20 0 JGADRO COc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c(OC)c1OC ZINC001164827902 720348747 /nfs/dbraw/zinc/34/87/47/720348747.db2.gz NCMKVAXMONIYSO-FGZHOGPDSA-N 1 0 495.624 3.081 20 0 JGADRO COc1ccc(Oc2cc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc(C)n2)cc1 ZINC001164828307 720350096 /nfs/dbraw/zinc/35/00/96/720350096.db2.gz OCMLHYUMOIBJMP-PKTZIBPZSA-N 1 0 465.598 3.497 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)COC(=O)Nc2cccnc2Cl)CC1 ZINC001164826627 720351385 /nfs/dbraw/zinc/35/13/85/720351385.db2.gz KNXJKYVTGZTNAM-MSOLQXFVSA-N 1 0 485.963 3.283 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)COC(=O)Nc2cccnc2Cl)CC1 ZINC001164826638 720351755 /nfs/dbraw/zinc/35/17/55/720351755.db2.gz KNXJKYVTGZTNAM-ZWKOTPCHSA-N 1 0 485.963 3.283 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)COC(=O)Nc2cccnc2Cl)CC1 ZINC001164826635 720351809 /nfs/dbraw/zinc/35/18/09/720351809.db2.gz KNXJKYVTGZTNAM-ROUUACIJSA-N 1 0 485.963 3.283 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)Cc2nc3c(ncnc3Cl)s2)CC1 ZINC001164823562 720356499 /nfs/dbraw/zinc/35/64/99/720356499.db2.gz HBLCXCKJLMMQDH-HUUCEWRRSA-N 1 0 485.004 3.282 20 0 JGADRO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735955 720439838 /nfs/dbraw/zinc/43/98/38/720439838.db2.gz ZXXONDPADWPJEG-LEWJYISDSA-N 1 0 476.650 3.260 20 0 JGADRO c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735958 720439885 /nfs/dbraw/zinc/43/98/85/720439885.db2.gz ZXXONDPADWPJEG-SFTDATJTSA-N 1 0 476.650 3.260 20 0 JGADRO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735957 720440220 /nfs/dbraw/zinc/44/02/20/720440220.db2.gz ZXXONDPADWPJEG-RTWAWAEBSA-N 1 0 476.650 3.260 20 0 JGADRO Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)c1 ZINC001164723880 720495254 /nfs/dbraw/zinc/49/52/54/720495254.db2.gz DHVCBZZGGBBMRU-LVXARBLLSA-N 1 0 470.589 3.419 20 0 JGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)CC[C@@H]21 ZINC001164837139 720519337 /nfs/dbraw/zinc/51/93/37/720519337.db2.gz NVPNOIAREYEYIB-QYZOEREBSA-N 1 0 496.006 3.086 20 0 JGADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001164735300 720543771 /nfs/dbraw/zinc/54/37/71/720543771.db2.gz OGNVMRLKDHCDFX-OAHLLOKOSA-N 1 0 459.969 3.028 20 0 JGADRO Cc1cc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc(N3CCOCC3)c2s1 ZINC001164839679 720563286 /nfs/dbraw/zinc/56/32/86/720563286.db2.gz RJVNEWKKMBAGKO-KCZVDYSFSA-N 1 0 481.670 3.411 20 0 JGADRO CN(C)C(=O)c1cc2cnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2n1C1CCCC1 ZINC001164728865 720565121 /nfs/dbraw/zinc/56/51/21/720565121.db2.gz ODAAADCCUMREID-UHFFFAOYSA-N 1 0 476.629 3.103 20 0 JGADRO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2s1 ZINC001164839545 720572276 /nfs/dbraw/zinc/57/22/76/720572276.db2.gz QMJBSQIBVMGBNT-JENIJYKNSA-N 1 0 454.600 3.442 20 0 JGADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164746279 720597782 /nfs/dbraw/zinc/59/77/82/720597782.db2.gz WTZLISSGXORWDX-UHFFFAOYSA-N 1 0 453.950 3.226 20 0 JGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@@H]21 ZINC001164840627 720606784 /nfs/dbraw/zinc/60/67/84/720606784.db2.gz QCLNQUMAOQFLCC-KKUMJFAQSA-N 1 0 450.925 3.077 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844151 720606983 /nfs/dbraw/zinc/60/69/83/720606983.db2.gz ZCICWALFWVJHLE-SOUVJXGZSA-N 1 0 450.925 3.077 20 0 JGADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164840762 720611877 /nfs/dbraw/zinc/61/18/77/720611877.db2.gz QPPRITFYDACQPO-VVSUKSJXSA-N 1 0 474.675 3.123 20 0 JGADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164838257 720611925 /nfs/dbraw/zinc/61/19/25/720611925.db2.gz KJRAKAZYWIURQE-KCZVDYSFSA-N 1 0 474.675 3.123 20 0 JGADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164840765 720612201 /nfs/dbraw/zinc/61/22/01/720612201.db2.gz QPPRITFYDACQPO-ZZLPTCMGSA-N 1 0 474.675 3.123 20 0 JGADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C(=O)OCC ZINC001164839179 720650553 /nfs/dbraw/zinc/65/05/53/720650553.db2.gz JCVYNYQNQVRDIV-IRFCIJBXSA-N 1 0 469.586 3.009 20 0 JGADRO CCOC(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1C(=O)OCC ZINC001164841809 720676433 /nfs/dbraw/zinc/67/64/33/720676433.db2.gz QJKVDHLSAZFVGY-FQEVSTJZSA-N 1 0 482.581 3.090 20 0 JGADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)cc2C1 ZINC001164838923 720728865 /nfs/dbraw/zinc/72/88/65/720728865.db2.gz ZLGOWJVKEUJBNI-FYYLOGMGSA-N 1 0 464.610 3.405 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1Cl ZINC001164838025 720737412 /nfs/dbraw/zinc/73/74/12/720737412.db2.gz PXEDKJGYVFCXIA-UHFFFAOYSA-N 1 0 454.909 3.101 20 0 JGADRO COc1ccc(-c2csc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164744796 720757435 /nfs/dbraw/zinc/75/74/35/720757435.db2.gz SSRFTOWOAFIGDU-IEBWSBKVSA-N 1 0 460.563 3.499 20 0 JGADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745281 720758391 /nfs/dbraw/zinc/75/83/91/720758391.db2.gz UVCIWAMMSANEGT-JKSUJKDBSA-N 1 0 453.930 3.197 20 0 JGADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164745237 720762382 /nfs/dbraw/zinc/76/23/82/720762382.db2.gz UBXKVLACOPNOSD-WOJBJXKFSA-N 1 0 479.654 3.426 20 0 JGADRO Cc1sc2nc(CN3CCCCC3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164745232 720762943 /nfs/dbraw/zinc/76/29/43/720762943.db2.gz UBXKVLACOPNOSD-UXHICEINSA-N 1 0 479.654 3.426 20 0 JGADRO c1ncc(O[C@@H]2C[C@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)cn1 ZINC001164741851 720764709 /nfs/dbraw/zinc/76/47/09/720764709.db2.gz NDETZTPBLYZWCB-RBUKOAKNSA-N 1 0 491.665 3.298 20 0 JGADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744217 720783699 /nfs/dbraw/zinc/78/36/99/720783699.db2.gz RPERBOFTPSCWJM-ROUUACIJSA-N 1 0 458.900 3.474 20 0 JGADRO c1cnc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C3)n2)CCCC4)cn1 ZINC001164750333 720788540 /nfs/dbraw/zinc/78/85/40/720788540.db2.gz VDVROHJLHXZNIY-IAGOWNOFSA-N 1 0 486.605 3.159 20 0 JGADRO c1cnc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C3)n2)CCCC4)cn1 ZINC001164750339 720788593 /nfs/dbraw/zinc/78/85/93/720788593.db2.gz VDVROHJLHXZNIY-SJORKVTESA-N 1 0 486.605 3.159 20 0 JGADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164751962 720801648 /nfs/dbraw/zinc/80/16/48/720801648.db2.gz YHUMNXWYHVSPEH-UNMCSNQZSA-N 1 0 454.534 3.341 20 0 JGADRO C[C@@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)c2c1C[NH2+]CC2 ZINC001164847695 720805460 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FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868410 721198082 /nfs/dbraw/zinc/19/80/82/721198082.db2.gz MRICSYYYBITVMV-CABCVRRESA-N 1 0 466.945 3.245 20 0 JGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)COC(=O)Nc4cccnc4Cl)C[C@H]3C2)cn1 ZINC001164766174 721236550 /nfs/dbraw/zinc/23/65/50/721236550.db2.gz SJLOAFDDZZLQLU-HZPDHXFCSA-N 1 0 454.909 3.064 20 0 JGADRO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21 ZINC001164760120 721258725 /nfs/dbraw/zinc/25/87/25/721258725.db2.gz CILOOTATURFCFO-ORYQWCPZSA-N 1 0 492.954 3.265 20 0 JGADRO Cc1nc(-c2ccccc2Cl)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1C ZINC001164879032 721288125 /nfs/dbraw/zinc/28/81/25/721288125.db2.gz UJKRDVGFGZJYLQ-UHFFFAOYSA-N 1 0 472.033 3.421 20 0 JGADRO CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc1 ZINC001164874907 721293185 /nfs/dbraw/zinc/29/31/85/721293185.db2.gz DZAYGGBBRDQEDQ-UHFFFAOYSA-N 1 0 488.032 3.492 20 0 JGADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164782313 721355700 /nfs/dbraw/zinc/35/57/00/721355700.db2.gz NELAOWOJJMJNPU-HSZRJFAPSA-N 1 0 488.976 3.122 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893591 721387799 /nfs/dbraw/zinc/38/77/99/721387799.db2.gz VPBUBQJPVKUYKX-RDTXWAMCSA-N 1 0 450.361 3.094 20 0 JGADRO COc1cc2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2cc1OC ZINC001164889419 721402372 /nfs/dbraw/zinc/40/23/72/721402372.db2.gz QGKNMUHLESPEGH-XDHUDOTRSA-N 1 0 476.021 3.066 20 0 JGADRO CCOC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2ccccc21 ZINC001164887163 721409324 /nfs/dbraw/zinc/40/93/24/721409324.db2.gz LHASBZUCSYKWDN-FQRUVTKNSA-N 1 0 452.599 3.177 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164892962 721417523 /nfs/dbraw/zinc/41/75/23/721417523.db2.gz ZLJFERQSAPTMME-WNCULLNHSA-N 1 0 460.626 3.245 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C3)O2)CC1 ZINC001164891974 721417949 /nfs/dbraw/zinc/41/79/49/721417949.db2.gz XLHIEIOVNRWGEH-NTKDMRAZSA-N 1 0 464.054 3.029 20 0 JGADRO CCOC(=O)c1cc2c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)[nH]c(C)c(C)c-2n1 ZINC001164888323 721420195 /nfs/dbraw/zinc/42/01/95/721420195.db2.gz OESQVLBDHCYARH-FQRUVTKNSA-N 1 0 469.630 3.122 20 0 JGADRO CCOC(=O)c1cc2c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)[nH]c(C)c(C)c-2n1 ZINC001164888320 721420485 /nfs/dbraw/zinc/42/04/85/721420485.db2.gz OESQVLBDHCYARH-FNZWTVRRSA-N 1 0 469.630 3.122 20 0 JGADRO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164789625 721423929 /nfs/dbraw/zinc/42/39/29/721423929.db2.gz VYHCIGHXJCCCRW-KDURUIRLSA-N 1 0 461.591 3.271 20 0 JGADRO COc1cccc(Oc2cncc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)n2)c1 ZINC001164893116 721424355 /nfs/dbraw/zinc/42/43/55/721424355.db2.gz JALKFZWVUNUHNJ-RDGATRHJSA-N 1 0 453.587 3.043 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)Oc4ccc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164896231 721426172 /nfs/dbraw/zinc/42/61/72/721426172.db2.gz RGNUJAAVEBIGSI-PGRDOPGGSA-N 1 0 481.975 3.473 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5ccn(C(=O)c6ccccc6)c5n4)C3)O2)CC1 ZINC001164893779 721429589 /nfs/dbraw/zinc/42/95/89/721429589.db2.gz KKGPOLJFAZANKD-UFHPHHKVSA-N 1 0 473.621 3.490 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncccc4C(=O)N4CCc5ccccc54)C3)O2)CC1 ZINC001164893150 721433099 /nfs/dbraw/zinc/43/30/99/721433099.db2.gz JJBLNPKCCBKQSL-NEKDWFFYSA-N 1 0 475.637 3.050 20 0 JGADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164899268 721433348 /nfs/dbraw/zinc/43/33/48/721433348.db2.gz YCYOPHHXWCCVTG-UQBPGWFLSA-N 1 0 487.670 3.250 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccn5)nc5ccccc54)C3)O2)CC1 ZINC001164893159 721434256 /nfs/dbraw/zinc/43/42/56/721434256.db2.gz JKOBSZFMNMMPKB-ZBLYBZFDSA-N 1 0 458.610 3.457 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)O2)CC1 ZINC001164898322 721436338 /nfs/dbraw/zinc/43/63/38/721436338.db2.gz VQOFZPKNOKWORI-UWJYYQICSA-N 1 0 455.981 3.318 20 0 JGADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)o2)cc1 ZINC001164892995 721437040 /nfs/dbraw/zinc/43/70/40/721437040.db2.gz INJBQLBSJLKOJS-QFQXNSOFSA-N 1 0 462.598 3.359 20 0 JGADRO Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2cccc(N4CC[NH+](C)CC4)n2)CCO3)cs1 ZINC001164785779 721444435 /nfs/dbraw/zinc/44/44/35/721444435.db2.gz SVEONKSMAHKDSO-GBXCKJPGSA-N 1 0 457.644 3.191 20 0 JGADRO Cc1nc(COC[C@H]2CCC[C@]23CN(c2cccc(N4CC[NH+](C)CC4)n2)CCO3)cs1 ZINC001164785791 721444594 /nfs/dbraw/zinc/44/45/94/721444594.db2.gz SVEONKSMAHKDSO-YKSBVNFPSA-N 1 0 457.644 3.191 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)C3)O2)CC1 ZINC001164889142 721446975 /nfs/dbraw/zinc/44/69/75/721446975.db2.gz NWBPIMQGECJUME-UWJYYQICSA-N 1 0 487.979 3.137 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3ccc(C(=O)OC)cc3n1)CC2 ZINC001164789431 721452743 /nfs/dbraw/zinc/45/27/43/721452743.db2.gz WBPNVJFDSDROPG-JOCHJYFZSA-N 1 0 468.598 3.150 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CC2 ZINC001164788666 721453160 /nfs/dbraw/zinc/45/31/60/721453160.db2.gz SFNOFWDZYZWWLN-GOSISDBHSA-N 1 0 488.023 3.475 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C3)O2)CC1 ZINC001164885995 721454167 /nfs/dbraw/zinc/45/41/67/721454167.db2.gz GBWYNZJDFQCWAO-QRWLVFNGSA-N 1 0 487.020 3.136 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3cnccc3cc1C(=O)OC)CC2 ZINC001164788487 721461238 /nfs/dbraw/zinc/46/12/38/721461238.db2.gz SWGJRRXTJJHYJQ-OAQYLSRUSA-N 1 0 468.598 3.150 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(=O)OC)ccc1Cl)CC2 ZINC001164784647 721461342 /nfs/dbraw/zinc/46/13/42/721461342.db2.gz JCRLUFNRKXUQHP-GOSISDBHSA-N 1 0 451.995 3.256 20 0 JGADRO 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COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164783886 721465035 /nfs/dbraw/zinc/46/50/35/721465035.db2.gz GHELHNUIXFDTQN-KRWDZBQOSA-N 1 0 486.991 3.113 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164790661 721465262 /nfs/dbraw/zinc/46/52/62/721465262.db2.gz TYPUWIXNCINMNJ-QGZVFWFLSA-N 1 0 492.020 3.132 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164788252 721467305 /nfs/dbraw/zinc/46/73/05/721467305.db2.gz IVDABAAOQDFHTF-MRXNPFEDSA-N 1 0 484.979 3.237 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c(OC)cc(OC)cc31)CC2 ZINC001164791252 721473225 /nfs/dbraw/zinc/47/32/25/721473225.db2.gz VZVSTXWRPYRJEZ-FQEVSTJZSA-N 1 0 470.614 3.381 20 0 JGADRO Clc1nc2c(c(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@@H]34)c3ncccn3)n1)CN(Cc1ccccc1)CC2 ZINC001164793073 721484162 /nfs/dbraw/zinc/48/41/62/721484162.db2.gz RNYKWWROKQVAIL-VIZSFHNOSA-N 1 0 492.027 3.241 20 0 JGADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164893898 721488001 /nfs/dbraw/zinc/48/80/01/721488001.db2.gz FRJHQWQEOBBMJE-INIZCTEOSA-N 1 0 459.932 3.386 20 0 JGADRO CCOC(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1C(=O)OCC ZINC001164791304 721492621 /nfs/dbraw/zinc/49/26/21/721492621.db2.gz ADAIQWUHVMHORM-UHFFFAOYSA-N 1 0 467.570 3.106 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccc(F)cc4)nc4ccccc42)CC3)CC1 ZINC001164797801 721518607 /nfs/dbraw/zinc/51/86/07/721518607.db2.gz NRECKSMVAFLWPO-UHFFFAOYSA-N 1 0 457.557 3.400 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cccc(-c4ccc(Cl)nn4)c2)CC3)CC1 ZINC001164796148 721520791 /nfs/dbraw/zinc/52/07/91/721520791.db2.gz WLKLOOXLWYNTQX-UHFFFAOYSA-N 1 0 473.959 3.306 20 0 JGADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164911561 721550763 /nfs/dbraw/zinc/55/07/63/721550763.db2.gz XJPOSWYGVKNYJH-RBBKRZOGSA-N 1 0 493.564 3.149 20 0 JGADRO 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JGADRO CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001305806878 1069335105 /nfs/dbraw/zinc/33/51/05/1069335105.db2.gz QMQREHUIMIZGRL-SFHVURJKSA-N 1 0 455.607 3.194 20 0 JGADRO CC[C@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001305810149 1069340085 /nfs/dbraw/zinc/34/00/85/1069340085.db2.gz OOSZABGRQWIRHA-XZOQPEGZSA-N 1 0 498.672 3.204 20 0 JGADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)OC ZINC001305811773 1069342431 /nfs/dbraw/zinc/34/24/31/1069342431.db2.gz RUBQBWZRGVZCQO-YQQAZPJKSA-N 1 0 453.429 3.390 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS(=O)CC1)[NH+]1CCCC1 ZINC001305813062 1069343577 /nfs/dbraw/zinc/34/35/77/1069343577.db2.gz DIASLBIOOVKIBP-GOSISDBHSA-N 1 0 480.476 3.459 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC001305814912 1069347281 /nfs/dbraw/zinc/34/72/81/1069347281.db2.gz HZNYWXFULAYPDJ-RTBURBONSA-N 1 0 464.010 3.333 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001305815809 1069348937 /nfs/dbraw/zinc/34/89/37/1069348937.db2.gz PBMDOISHSFQMCE-IBGZPJMESA-N 1 0 454.040 3.344 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)C(=O)NC)[NH+]1CCCC1 ZINC001305816072 1069349422 /nfs/dbraw/zinc/34/94/22/1069349422.db2.gz YQDLHOLSQSMIRK-QFBILLFUSA-N 1 0 477.451 3.400 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)OC ZINC001305817139 1069351199 /nfs/dbraw/zinc/35/11/99/1069351199.db2.gz XACQHXWNCQAKLX-GHTZIAJQSA-N 1 0 475.659 3.084 20 0 JGADRO CC[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001305819885 1069355453 /nfs/dbraw/zinc/35/54/53/1069355453.db2.gz BEJJTSWDZMZAHG-FCHUYYIVSA-N 1 0 488.702 3.236 20 0 JGADRO CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001305822727 1069358804 /nfs/dbraw/zinc/35/88/04/1069358804.db2.gz YXEFIELWBQDSGY-OALUTQOASA-N 1 0 457.623 3.261 20 0 JGADRO CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cccc(C)c1C)[NH+]1CCCC1 ZINC001305823217 1069359897 /nfs/dbraw/zinc/35/98/97/1069359897.db2.gz DLMARXIRQIAPIU-HXUWFJFHSA-N 1 0 462.602 3.301 20 0 JGADRO CC[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC(NS(=O)(=O)CC)CC1)[NH+]1CCCC1 ZINC001305823776 1069360235 /nfs/dbraw/zinc/36/02/35/1069360235.db2.gz PCMAYKRFOWPOBH-NRFANRHFSA-N 1 0 474.675 3.036 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001305823502 1069360345 /nfs/dbraw/zinc/36/03/45/1069360345.db2.gz PJOIGUSNLQBYAF-UYAOXDASSA-N 1 0 460.026 3.220 20 0 JGADRO CC[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001305825610 1069364257 /nfs/dbraw/zinc/36/42/57/1069364257.db2.gz YGFRMQCQYOKCIX-OAQYLSRUSA-N 1 0 488.702 3.378 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001305833449 1069375114 /nfs/dbraw/zinc/37/51/14/1069375114.db2.gz JQHKYHNIDZIBPV-HSALFYBXSA-N 1 0 462.639 3.150 20 0 JGADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1)[NH+]1CCCC1 ZINC001305834925 1069376687 /nfs/dbraw/zinc/37/66/87/1069376687.db2.gz JPOPTUOJRPNIDW-YADHBBJMSA-N 1 0 457.667 3.460 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1)[NH+]1CCCC1 ZINC001305836211 1069378310 /nfs/dbraw/zinc/37/83/10/1069378310.db2.gz UPDWTFAKVBNLQW-WOJBJXKFSA-N 1 0 462.639 3.104 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1)[NH+]1CCCC1 ZINC001305836198 1069378316 /nfs/dbraw/zinc/37/83/16/1069378316.db2.gz UPDWTFAKVBNLQW-UXHICEINSA-N 1 0 462.639 3.104 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1)[NH+]1CCCC1 ZINC001305836360 1069378762 /nfs/dbraw/zinc/37/87/62/1069378762.db2.gz UZYAATBBNVEQOI-SFTDATJTSA-N 1 0 462.639 3.309 20 0 JGADRO CC[C@H](Cn1c(CC(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001305837462 1069381045 /nfs/dbraw/zinc/38/10/45/1069381045.db2.gz TVIIAZBAMYLTPI-UYAOXDASSA-N 1 0 462.664 3.196 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1)[NH+]1CCCC1 ZINC001305839882 1069386569 /nfs/dbraw/zinc/38/65/69/1069386569.db2.gz WWFAZVMSDCQWTE-QZTJIDSGSA-N 1 0 484.041 3.484 20 0 JGADRO CC[C@H](Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)NC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001305839982 1069386685 /nfs/dbraw/zinc/38/66/85/1069386685.db2.gz DFCQWLPNDLFSDE-XMMPIXPASA-N 1 0 475.641 3.062 20 0 JGADRO CC[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CC(=O)NC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001305839981 1069386841 /nfs/dbraw/zinc/38/68/41/1069386841.db2.gz DFCQWLPNDLFSDE-DEOSSOPVSA-N 1 0 475.641 3.062 20 0 JGADRO CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001305840273 1069387516 /nfs/dbraw/zinc/38/75/16/1069387516.db2.gz ZNMFRFVUIXYEFY-AZUAARDMSA-N 1 0 496.077 3.223 20 0 JGADRO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305842542 1069391386 /nfs/dbraw/zinc/39/13/86/1069391386.db2.gz BVNKXHLGICJTGF-NJDAHSKKSA-N 1 0 486.665 3.116 20 0 JGADRO CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCCC1 ZINC001305845324 1069395346 /nfs/dbraw/zinc/39/53/46/1069395346.db2.gz BZDSLBZJVIMBOL-ROUUACIJSA-N 1 0 460.648 3.148 20 0 JGADRO CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCCC1 ZINC001305845326 1069395434 /nfs/dbraw/zinc/39/54/34/1069395434.db2.gz BZDSLBZJVIMBOL-ZWKOTPCHSA-N 1 0 460.648 3.148 20 0 JGADRO CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+]1CCCC1 ZINC001305848494 1069399242 /nfs/dbraw/zinc/39/92/42/1069399242.db2.gz OLJVKDQANSITCG-XZOQPEGZSA-N 1 0 468.646 3.453 20 0 JGADRO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)OC ZINC001305850858 1069404115 /nfs/dbraw/zinc/40/41/15/1069404115.db2.gz UPZMLMKWKFJCGE-WCIQWLHISA-N 1 0 462.639 3.148 20 0 JGADRO CCC(O)(CC)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001305856776 1069411023 /nfs/dbraw/zinc/41/10/23/1069411023.db2.gz FSOXIJUNIBXUKS-GOTSBHOMSA-N 1 0 471.646 3.184 20 0 JGADRO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)O1 ZINC001305858209 1069413458 /nfs/dbraw/zinc/41/34/58/1069413458.db2.gz CIWRNAYOBSFGSC-QHWMMSMNSA-N 1 0 490.737 3.446 20 0 JGADRO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)O1 ZINC001305858210 1069413480 /nfs/dbraw/zinc/41/34/80/1069413480.db2.gz CIWRNAYOBSFGSC-QSEAXJEQSA-N 1 0 490.737 3.446 20 0 JGADRO CC[C@@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001305870573 1069425142 /nfs/dbraw/zinc/42/51/42/1069425142.db2.gz WUZUBXIBHJHFQM-BWKNWUBXSA-N 1 0 454.619 3.039 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001305885870 1069441933 /nfs/dbraw/zinc/44/19/33/1069441933.db2.gz LNENMCOGHGDILW-SQJMNOBHSA-N 1 0 472.609 3.032 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3OC)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001305890395 1069447338 /nfs/dbraw/zinc/44/73/38/1069447338.db2.gz NLVLIGNUKZLCTE-GJZUVCINSA-N 1 0 471.646 3.240 20 0 JGADRO CC[C@]1(C)CN(c2nnc(Cc3ccccc3OC)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001305890393 1069447384 /nfs/dbraw/zinc/44/73/84/1069447384.db2.gz NLVLIGNUKZLCTE-ATIYNZHBSA-N 1 0 471.646 3.240 20 0 JGADRO CCc1ccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)NC(C)(C)C)[NH+](C)C)cc1 ZINC001305915990 1069470883 /nfs/dbraw/zinc/47/08/83/1069470883.db2.gz KSKBGRYEUJSVOP-NRFANRHFSA-N 1 0 451.619 3.489 20 0 JGADRO CCc1ccc([C@@H](Cn2c(C(C)C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)[NH+](C)C)cc1 ZINC001305915489 1069469778 /nfs/dbraw/zinc/46/97/78/1069469778.db2.gz IGELWRRPJBKHMW-HYBUGGRVSA-N 1 0 481.689 3.056 20 0 JGADRO CCc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001305915817 1069470275 /nfs/dbraw/zinc/47/02/75/1069470275.db2.gz APCCDFZYDPPLFT-LEWJYISDSA-N 1 0 459.660 3.251 20 0 JGADRO CCc1ccc([C@H](Cn2c(C(C)C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)[NH+](C)C)cc1 ZINC001305915494 1069470293 /nfs/dbraw/zinc/47/02/93/1069470293.db2.gz IGELWRRPJBKHMW-YKSBVNFPSA-N 1 0 481.689 3.056 20 0 JGADRO CCc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CCN(c3cccnn3)CC2)[NH+](C)C)cc1 ZINC001305915644 1069470343 /nfs/dbraw/zinc/47/03/43/1069470343.db2.gz AZETWSLXFOQANO-QHCPKHFHSA-N 1 0 462.646 3.459 20 0 JGADRO CCc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001305915820 1069470372 /nfs/dbraw/zinc/47/03/72/1069470372.db2.gz APCCDFZYDPPLFT-RTWAWAEBSA-N 1 0 459.660 3.251 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(OC)C2)[NH+](C)C)cc1 ZINC001305916985 1069471957 /nfs/dbraw/zinc/47/19/57/1069471957.db2.gz FTCANQIPXGBSAP-TYBLODHISA-N 1 0 454.619 3.100 20 0 JGADRO CCc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)NC3CC3)CC2)[NH+](C)C)cc1 ZINC001305920564 1069475861 /nfs/dbraw/zinc/47/58/61/1069475861.db2.gz SPNDEGQHQDLOKA-DEOSSOPVSA-N 1 0 495.716 3.133 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCCN(C(=O)C(C)C)CC2)[NH+](C)C)cc1 ZINC001305920509 1069475879 /nfs/dbraw/zinc/47/58/79/1069475879.db2.gz SGPTWSLXQKIHMG-ZEQRLZLVSA-N 1 0 482.673 3.342 20 0 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3.293 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccn2)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001298975050 1064764729 /nfs/dbraw/zinc/76/47/29/1064764729.db2.gz YSFNHRHKQKRRQP-WMZHIEFXSA-N 1 0 477.613 3.004 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[N@H+](C)C1CCCCC1 ZINC001298978964 1064765566 /nfs/dbraw/zinc/76/55/66/1064765566.db2.gz KKAHNCITOOZRIU-GOSISDBHSA-N 1 0 494.644 3.067 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C)cc2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001298999258 1064778747 /nfs/dbraw/zinc/77/87/47/1064778747.db2.gz DIINDCCJNQQBCF-NRFANRHFSA-N 1 0 491.640 3.295 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001298999448 1064779199 /nfs/dbraw/zinc/77/91/99/1064779199.db2.gz LHQLLKNJQQOYLS-IDISGSTGSA-N 1 0 495.672 3.230 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001298999471 1064779262 /nfs/dbraw/zinc/77/92/62/1064779262.db2.gz LHQLLKNJQQOYLS-ZBLYBZFDSA-N 1 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COc1cc(F)cc(Cn2c(N3CC[NH+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001299920981 1065173467 /nfs/dbraw/zinc/17/34/67/1065173467.db2.gz ZVTDPVKMJZOKOB-DEOSSOPVSA-N 1 0 461.582 3.045 20 0 JGADRO COc1cc(N2CCN(c3nnc(CC(C)C)n3C[C@]3([NH+](C)C)CCSC3)CC2)ccc1F ZINC001299923447 1065177909 /nfs/dbraw/zinc/17/79/09/1065177909.db2.gz WOBMXIWXCNRILU-XMMPIXPASA-N 1 0 476.666 3.388 20 0 JGADRO COc1cc(N(C)c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCC[C@H]2C)cc(OC)c1OC ZINC001299924036 1065178580 /nfs/dbraw/zinc/17/85/80/1065178580.db2.gz PIULNNMGFYYPTR-QZTJIDSGSA-N 1 0 459.591 3.450 20 0 JGADRO COc1cc(N(C)c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCC[C@H]2C)cc(OC)c1OC ZINC001299924035 1065178650 /nfs/dbraw/zinc/17/86/50/1065178650.db2.gz PIULNNMGFYYPTR-MSOLQXFVSA-N 1 0 459.591 3.450 20 0 JGADRO COc1cc(N[C@@H]2CCCN(c3nnc(C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)C2)cc(OC)c1 ZINC001299925329 1065183333 /nfs/dbraw/zinc/18/33/33/1065183333.db2.gz HKNZLMKCVXTMGP-IRFCIJBXSA-N 1 0 472.634 3.184 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001299933250 1065199138 /nfs/dbraw/zinc/19/91/38/1065199138.db2.gz AWRQYJXLIQDJPA-MBSDFSHPSA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001299945304 1065217714 /nfs/dbraw/zinc/21/77/14/1065217714.db2.gz RCHVFCRMGLVKFV-WOJBJXKFSA-N 1 0 484.645 3.319 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](n4cncn4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001299945816 1065218649 /nfs/dbraw/zinc/21/86/49/1065218649.db2.gz VJMWOADHOGPBGE-NHCUHLMSSA-N 1 0 482.633 3.372 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001299946637 1065221415 /nfs/dbraw/zinc/22/14/15/1065221415.db2.gz KLIBJQXWLLBZEP-NRFANRHFSA-N 1 0 498.672 3.387 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2C[C@@H](OC)C(C)C)c1 ZINC001299946721 1065222057 /nfs/dbraw/zinc/22/20/57/1065222057.db2.gz MPIXNXFHLYGRHM-XMMPIXPASA-N 1 0 497.644 3.079 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCCO[C@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001299947014 1065222616 /nfs/dbraw/zinc/22/26/16/1065222616.db2.gz WCEJVHZXUAYDOR-UTKZUKDTSA-N 1 0 455.559 3.473 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCNC(=O)c2occc2C)c1 ZINC001299949327 1065223139 /nfs/dbraw/zinc/22/31/39/1065223139.db2.gz BXWBJGXODKWVGT-UHFFFAOYSA-N 1 0 496.612 3.214 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001299950299 1065225230 /nfs/dbraw/zinc/22/52/30/1065225230.db2.gz MIAYIEVBVGJHDY-SFTDATJTSA-N 1 0 498.672 3.387 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001299950941 1065226984 /nfs/dbraw/zinc/22/69/84/1065226984.db2.gz FWZXTYWRGCOUQZ-AUSIDOKSSA-N 1 0 487.645 3.182 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001299950947 1065227176 /nfs/dbraw/zinc/22/71/76/1065227176.db2.gz FWZXTYWRGCOUQZ-XXBNENTESA-N 1 0 487.645 3.182 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001299951552 1065229330 /nfs/dbraw/zinc/22/93/30/1065229330.db2.gz TZJFMAILGLNEBC-IBGZPJMESA-N 1 0 487.645 3.201 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccc(F)cn2)c1 ZINC001299951710 1065229340 /nfs/dbraw/zinc/22/93/40/1065229340.db2.gz JXAQJKUAPUBHLW-UHFFFAOYSA-N 1 0 454.550 3.323 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(c4ncccn4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001299951783 1065229961 /nfs/dbraw/zinc/22/99/61/1065229961.db2.gz VBXSRSFZSOCIAF-OAQYLSRUSA-N 1 0 494.644 3.055 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@@H]4[C@H](OC)CC[C@@H]4C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299953564 1065234562 /nfs/dbraw/zinc/23/45/62/1065234562.db2.gz MFZYBNTYMNBVKU-VOQZNFBZSA-N 1 0 457.619 3.411 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001299956603 1065235524 /nfs/dbraw/zinc/23/55/24/1065235524.db2.gz BERGQBVNPXDPLT-UZUQRXQVSA-N 1 0 461.632 3.395 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001299959557 1065240402 /nfs/dbraw/zinc/24/04/02/1065240402.db2.gz TULLJCQHSCJILE-RBUKOAKNSA-N 1 0 470.618 3.306 20 0 JGADRO COc1cc2c(cc1OC)CN(c1nnc(CC(C)C)n1CCCC[NH+]1CCOCC1)CC2 ZINC001299961329 1065243023 /nfs/dbraw/zinc/24/30/23/1065243023.db2.gz GWHPYFDEZLLBPW-UHFFFAOYSA-N 1 0 457.619 3.169 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@H+](C)C2CCCC2)c1 ZINC001299967639 1065250514 /nfs/dbraw/zinc/25/05/14/1065250514.db2.gz UDEYWRAJKGQWEO-OAHLLOKOSA-N 1 0 493.450 3.291 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCS(=O)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001299972992 1065260796 /nfs/dbraw/zinc/26/07/96/1065260796.db2.gz FIBXSOZZZRZHPW-MRXNPFEDSA-N 1 0 498.491 3.261 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C)C3)n2CCCC[NH+]2CCOCC2)c1 ZINC001299973624 1065262466 /nfs/dbraw/zinc/26/24/66/1065262466.db2.gz LBYDLGSSPKEMIG-QGZVFWFLSA-N 1 0 494.434 3.054 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCS[C@@H](C)C3)n2CCOCC[NH+](C)C)c1 ZINC001299974378 1065264572 /nfs/dbraw/zinc/26/45/72/1065264572.db2.gz UNPIIYHVROYANR-HNNXBMFYSA-N 1 0 484.464 3.236 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCCO[C@H](C)C3)n2CC[NH+]2CCSCC2)c1 ZINC001299974940 1065267240 /nfs/dbraw/zinc/26/72/40/1065267240.db2.gz IZNHSPHRMCUPSN-MRXNPFEDSA-N 1 0 496.475 3.380 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299974932 1065267378 /nfs/dbraw/zinc/26/73/78/1065267378.db2.gz IYFAAVKBJYKZEM-HNNXBMFYSA-N 1 0 493.450 3.006 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299975143 1065268367 /nfs/dbraw/zinc/26/83/67/1065268367.db2.gz LBPUTRZSWCTSLE-WBVHZDCISA-N 1 0 493.450 3.019 20 0 JGADRO COc1ccc(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CC(C)C)CC2)cc1OC ZINC001299978853 1065275873 /nfs/dbraw/zinc/27/58/73/1065275873.db2.gz LOILCPNSAGVERS-UHFFFAOYSA-N 1 0 481.645 3.452 20 0 JGADRO COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001299979848 1065278055 /nfs/dbraw/zinc/27/80/55/1065278055.db2.gz XJXUNTBXPSCXNN-UHFFFAOYSA-N 1 0 456.635 3.323 20 0 JGADRO COc1ccc([C@@H](C)N(C)c2nnc(-c3cnccn3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001299983422 1065284313 /nfs/dbraw/zinc/28/43/13/1065284313.db2.gz HLNSNKUVZCSOQY-LJQANCHMSA-N 1 0 451.575 3.054 20 0 JGADRO COc1ccc([C@@H](C)N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001299987005 1065289362 /nfs/dbraw/zinc/28/93/62/1065289362.db2.gz NUYNNWHPRRFMRD-SMXKYELJSA-N 1 0 471.646 3.469 20 0 JGADRO COc1ccc(C)cc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001299988579 1065291964 /nfs/dbraw/zinc/29/19/64/1065291964.db2.gz QSQXRQYUAPEPMV-UHFFFAOYSA-N 1 0 477.613 3.406 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC[NH+]2CCCCCC2)cc1 ZINC001299991766 1065297243 /nfs/dbraw/zinc/29/72/43/1065297243.db2.gz BMSHKYGSGXTAHO-OALUTQOASA-N 1 0 463.648 3.088 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC001299992567 1065299565 /nfs/dbraw/zinc/29/95/65/1065299565.db2.gz PCSGCNIZEFIWOP-GHTZIAJQSA-N 1 0 484.645 3.460 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001299995605 1065303247 /nfs/dbraw/zinc/30/32/47/1065303247.db2.gz QUPWEJQMJSLNMJ-OALUTQOASA-N 1 0 477.675 3.334 20 0 JGADRO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001299996351 1065305115 /nfs/dbraw/zinc/30/51/15/1065305115.db2.gz GDGRYGNKGOXRBG-SFHVURJKSA-N 1 0 472.634 3.045 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC2([NH+](C)C)CCOCC2)cc1OC ZINC001299997576 1065308238 /nfs/dbraw/zinc/30/82/38/1065308238.db2.gz YBVBLCSGBWCKJO-GOSISDBHSA-N 1 0 461.632 3.015 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001492207933 1065321985 /nfs/dbraw/zinc/32/19/85/1065321985.db2.gz DBMFFZQBDIDIRC-QYZOEREBSA-N 1 0 480.654 3.093 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001492208709 1065322970 /nfs/dbraw/zinc/32/29/70/1065322970.db2.gz XKTQRBMSMGIHHD-SFHVURJKSA-N 1 0 480.654 3.094 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001492238228 1065323573 /nfs/dbraw/zinc/32/35/73/1065323573.db2.gz MVJNAAIQBXLSPM-PMACEKPBSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492211433 1065324419 /nfs/dbraw/zinc/32/44/19/1065324419.db2.gz NQYUDSJYWRCGCV-NFBKMPQASA-N 1 0 486.636 3.199 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cscn3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492238483 1065332342 /nfs/dbraw/zinc/33/23/42/1065332342.db2.gz RBJDJFDDJHDEMF-NRFANRHFSA-N 1 0 483.642 3.087 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC001492240405 1065338038 /nfs/dbraw/zinc/33/80/38/1065338038.db2.gz KSHXCGHHIYXBHJ-NLFFAJNJSA-N 1 0 486.686 3.447 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492243986 1065342054 /nfs/dbraw/zinc/34/20/54/1065342054.db2.gz JFBJOTRSMJHVQO-ONTIZHBOSA-N 1 0 454.619 3.086 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCCOCC(F)F)cc1C ZINC001492246196 1065345242 /nfs/dbraw/zinc/34/52/42/1065345242.db2.gz CKSLVGRKHGWVFB-QUCCMNQESA-N 1 0 476.572 3.492 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001492248243 1065347200 /nfs/dbraw/zinc/34/72/00/1065347200.db2.gz QOHFSTMDTBYJOJ-SFTDATJTSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492250410 1065350497 /nfs/dbraw/zinc/35/04/97/1065350497.db2.gz MPMAYAJLJWYCET-HHHXNRCGSA-N 1 0 498.672 3.103 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492250717 1065350718 /nfs/dbraw/zinc/35/07/18/1065350718.db2.gz QAFPJQKRZMSDAS-VCOUNFBDSA-N 1 0 454.619 3.229 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001492254729 1065354426 /nfs/dbraw/zinc/35/44/26/1065354426.db2.gz NHARRQWOBBMQKL-STZQEDGTSA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001492254731 1065355000 /nfs/dbraw/zinc/35/50/00/1065355000.db2.gz NHARRQWOBBMQKL-VLCRHTCISA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001492264093 1065356981 /nfs/dbraw/zinc/35/69/81/1065356981.db2.gz DPJNVACLQHPRBU-GMAHTHKFSA-N 1 0 495.672 3.373 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)CN2CCOCC2)cc1C ZINC001492265808 1065358790 /nfs/dbraw/zinc/35/87/90/1065358790.db2.gz KEGXBTVZNIPNLX-OAQYLSRUSA-N 1 0 497.688 3.036 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCOCC(F)F)cc1C ZINC001492266094 1065360927 /nfs/dbraw/zinc/36/09/27/1065360927.db2.gz NSRHPFUDTIYLNY-UHFFFAOYSA-N 1 0 464.561 3.349 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CC(=O)NC(C)C)cc1C ZINC001492266401 1065361653 /nfs/dbraw/zinc/36/16/53/1065361653.db2.gz MCMMCYWKVOZLDG-UHFFFAOYSA-N 1 0 495.672 3.373 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2(C(N)=O)CCCC2)cc1C ZINC001492268896 1065364088 /nfs/dbraw/zinc/36/40/88/1065364088.db2.gz ZIKIKHBNJAQSHG-UHFFFAOYSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492268910 1065364165 /nfs/dbraw/zinc/36/41/65/1065364165.db2.gz ZMIMTSGNZNJBJL-IFMALSPDSA-N 1 0 481.645 3.079 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC2([NH+](C)C)CCCCC2)cc1C ZINC001492269331 1065365499 /nfs/dbraw/zinc/36/54/99/1065365499.db2.gz YDSBQDHOEUDXAG-HXUWFJFHSA-N 1 0 481.645 3.079 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2COCCO2)cc1C ZINC001492269717 1065365520 /nfs/dbraw/zinc/36/55/20/1065365520.db2.gz ZHQYZUVYPCSXEU-QFIPXVFZSA-N 1 0 484.645 3.121 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001492274115 1065368542 /nfs/dbraw/zinc/36/85/42/1065368542.db2.gz UYEXTBSBIHSPLN-RBBKRZOGSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](C)C[NH+]3CCOCC3)C2)nc1 ZINC001492279795 1065372432 /nfs/dbraw/zinc/37/24/32/1065372432.db2.gz AYSONPVAIXOLMU-YADHBBJMSA-N 1 0 483.661 3.003 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)C2)nc1 ZINC001492280288 1065373141 /nfs/dbraw/zinc/37/31/41/1065373141.db2.gz FFDQQXMRPPCPTL-PKTZIBPZSA-N 1 0 497.688 3.392 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001492281933 1065375241 /nfs/dbraw/zinc/37/52/41/1065375241.db2.gz VVEAXQGQOLBCBW-NHCUHLMSSA-N 1 0 483.661 3.318 20 0 JGADRO Cc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001492282521 1065375759 /nfs/dbraw/zinc/37/57/59/1065375759.db2.gz YGKVVQUVYDJUIK-UHFFFAOYSA-N 1 0 465.577 3.416 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001492286319 1065378516 /nfs/dbraw/zinc/37/85/16/1065378516.db2.gz BQKJSPDEYCXYPX-HYBUGGRVSA-N 1 0 472.659 3.340 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001492287807 1065381257 /nfs/dbraw/zinc/38/12/57/1065381257.db2.gz HXRHBDYNLCOBQB-FQEVSTJZSA-N 1 0 478.645 3.255 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001492587862 1065383119 /nfs/dbraw/zinc/38/31/19/1065383119.db2.gz DGZNGVWTDCPENI-RPWUZVMVSA-N 1 0 455.647 3.395 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCCN(c4cccnn4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492315823 1065392325 /nfs/dbraw/zinc/39/23/25/1065392325.db2.gz COCDTAVMDXXQOS-FGZHOGPDSA-N 1 0 478.645 3.319 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001492329376 1065399661 /nfs/dbraw/zinc/39/96/61/1065399661.db2.gz KAIDVKHJYZCAAG-XMMPIXPASA-N 1 0 484.689 3.363 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC3CC(F)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001492329405 1065399745 /nfs/dbraw/zinc/39/97/45/1065399745.db2.gz GUXFNXUHQUHXRT-UHFFFAOYSA-N 1 0 458.626 3.376 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001492338863 1065406965 /nfs/dbraw/zinc/40/69/65/1065406965.db2.gz RUVIIVYOVOAGRB-BDTNDASRSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001492339288 1065407670 /nfs/dbraw/zinc/40/76/70/1065407670.db2.gz NRDHUAMEYCULEU-NRFANRHFSA-N 1 0 456.635 3.260 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001492340475 1065411280 /nfs/dbraw/zinc/41/12/80/1065411280.db2.gz SLMJXHQQVVQKTD-JOCHJYFZSA-N 1 0 484.689 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492353743 1065416401 /nfs/dbraw/zinc/41/64/01/1065416401.db2.gz KOZNSQYKIYENAM-RTWAWAEBSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492354148 1065418833 /nfs/dbraw/zinc/41/88/33/1065418833.db2.gz YPTXWMGYCQGKNZ-QFIPXVFZSA-N 1 0 498.672 3.067 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001492363467 1065424888 /nfs/dbraw/zinc/42/48/88/1065424888.db2.gz KGLCHEGFDHWUOD-HSZRJFAPSA-N 1 0 498.672 3.065 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCc4ccc(Cl)nc4C3)n2CCOCC[NH+](C)C)cc1 ZINC001492363628 1065424965 /nfs/dbraw/zinc/42/49/65/1065424965.db2.gz KWULAJSCOGVQSB-UHFFFAOYSA-N 1 0 471.005 3.355 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001492371367 1065435070 /nfs/dbraw/zinc/43/50/70/1065435070.db2.gz PTAZZCUAIWTJFK-JOCHJYFZSA-N 1 0 477.675 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001492371368 1065435170 /nfs/dbraw/zinc/43/51/70/1065435170.db2.gz PTAZZCUAIWTJFK-QFIPXVFZSA-N 1 0 477.675 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001492377867 1065442278 /nfs/dbraw/zinc/44/22/78/1065442278.db2.gz XKTQYUJBAZXJDH-FKBYEOEOSA-N 1 0 468.646 3.235 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001492377892 1065442347 /nfs/dbraw/zinc/44/23/47/1065442347.db2.gz XYOXKEAQIBKIJW-YZIHRLCOSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CCC[N@H+](C)C2CCCCC2)cc1C ZINC001492383496 1065447700 /nfs/dbraw/zinc/44/77/00/1065447700.db2.gz UKPYXYNDWBECBM-UHFFFAOYSA-N 1 0 468.646 3.407 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001492384611 1065451428 /nfs/dbraw/zinc/45/14/28/1065451428.db2.gz IKTVDAVLLKSTEU-UHFFFAOYSA-N 1 0 468.646 3.404 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@H+](C)C(C)C)cc1 ZINC001492385250 1065452229 /nfs/dbraw/zinc/45/22/29/1065452229.db2.gz PAZZNOYNSUADGN-OAQYLSRUSA-N 1 0 456.635 3.199 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001492385348 1065453051 /nfs/dbraw/zinc/45/30/51/1065453051.db2.gz QLIOPSVXAZKOOL-JOCHJYFZSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(c4cnccn4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001492385594 1065453060 /nfs/dbraw/zinc/45/30/60/1065453060.db2.gz SBWZADGWTDONNO-JOCHJYFZSA-N 1 0 478.645 3.258 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001492385351 1065453206 /nfs/dbraw/zinc/45/32/06/1065453206.db2.gz QLIOPSVXAZKOOL-QFIPXVFZSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC(=O)NC(C)C)cc1C ZINC001492386122 1065454812 /nfs/dbraw/zinc/45/48/12/1065454812.db2.gz XXJWCIOFMSZBDQ-UHFFFAOYSA-N 1 0 468.646 3.453 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492392213 1065464422 /nfs/dbraw/zinc/46/44/22/1065464422.db2.gz WMOGYWOKXVPQDE-NHCUHLMSSA-N 1 0 492.615 3.052 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492392760 1065465196 /nfs/dbraw/zinc/46/51/96/1065465196.db2.gz JKZLJYKWKZYWMB-YADHBBJMSA-N 1 0 471.646 3.324 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001492392697 1065465211 /nfs/dbraw/zinc/46/52/11/1065465211.db2.gz JCLQUJLDURKAKZ-UHFFFAOYSA-N 1 0 457.619 3.202 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001492393359 1065465297 /nfs/dbraw/zinc/46/52/97/1065465297.db2.gz LOEJVYFYLWVSNM-DNQXCXABSA-N 1 0 471.646 3.384 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001492393130 1065465410 /nfs/dbraw/zinc/46/54/10/1065465410.db2.gz KYAHSPPPVSNDJP-PKOBYXMFSA-N 1 0 453.509 3.417 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492401282 1065470952 /nfs/dbraw/zinc/47/09/52/1065470952.db2.gz JBLGDFGFJLSRAW-QFIPXVFZSA-N 1 0 459.660 3.384 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(Cc3ccccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001492421239 1065482015 /nfs/dbraw/zinc/48/20/15/1065482015.db2.gz ONNNBDXDURTVFL-UHFFFAOYSA-N 1 0 477.657 3.114 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001492421469 1065482230 /nfs/dbraw/zinc/48/22/30/1065482230.db2.gz PODDQYHLLYZNTM-RBBKRZOGSA-N 1 0 454.619 3.317 20 0 JGADRO Cc1ccc(OCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001492424075 1065482865 /nfs/dbraw/zinc/48/28/65/1065482865.db2.gz DVOROVALOUIWIJ-UHFFFAOYSA-N 1 0 463.586 3.091 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492432265 1065489636 /nfs/dbraw/zinc/48/96/36/1065489636.db2.gz YQOPSSOXKOGKGO-NHCUHLMSSA-N 1 0 488.702 3.389 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC4(CC3)NC(=O)N(C)C4=O)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001492460379 1065509156 /nfs/dbraw/zinc/50/91/56/1065509156.db2.gz WQPQMBWKESBLNL-UHFFFAOYSA-N 1 0 499.685 3.130 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492462237 1065510639 /nfs/dbraw/zinc/51/06/39/1065510639.db2.gz NHYPGLDPJRAZHG-GCJKJVERSA-N 1 0 499.603 3.493 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492462238 1065511036 /nfs/dbraw/zinc/51/10/36/1065511036.db2.gz NHYPGLDPJRAZHG-PGRDOPGGSA-N 1 0 499.603 3.493 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492463604 1065511329 /nfs/dbraw/zinc/51/13/29/1065511329.db2.gz UMPVIHPVJBOIJK-HXUWFJFHSA-N 1 0 479.716 3.480 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCC(=O)NC2CC2)cc1 ZINC001492465544 1065512097 /nfs/dbraw/zinc/51/20/97/1065512097.db2.gz CVEAWISPPLRHEP-UHFFFAOYSA-N 1 0 456.660 3.468 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001492466132 1065513707 /nfs/dbraw/zinc/51/37/07/1065513707.db2.gz XYSWJFFRGSDXIW-UHFFFAOYSA-N 1 0 499.729 3.010 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001492468078 1065515814 /nfs/dbraw/zinc/51/58/14/1065515814.db2.gz URUBLQMVXVNBMX-SFHVURJKSA-N 1 0 456.641 3.179 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001492470523 1065520651 /nfs/dbraw/zinc/52/06/51/1065520651.db2.gz RDVDSNZWOVZCBM-MOPGFXCFSA-N 1 0 460.648 3.155 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc(-c4cccc(C)n4)n3C[C@H](C)[NH+](C)C)CC2)c1 ZINC001492471692 1065522710 /nfs/dbraw/zinc/52/27/10/1065522710.db2.gz RTDWOMDHBKVBQI-NRFANRHFSA-N 1 0 461.614 3.260 20 0 JGADRO Cc1cccc(C(=O)NCCn2c([C@H]3CCCCO3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001492477942 1065523644 /nfs/dbraw/zinc/52/36/44/1065523644.db2.gz ANXDPIDZTLLSSB-JOCHJYFZSA-N 1 0 454.619 3.036 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C[NH+](C)C)CC1(C)C ZINC001300796161 1065526894 /nfs/dbraw/zinc/52/68/94/1065526894.db2.gz RMLLTJCDAQBGTK-MRXNPFEDSA-N 1 0 453.429 3.485 20 0 JGADRO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCOCC2)CC[C@H]1C ZINC001300797089 1065528526 /nfs/dbraw/zinc/52/85/26/1065528526.db2.gz VVBWZHBZKPUWHL-APWZRJJASA-N 1 0 495.466 3.018 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1(C)C ZINC001300798884 1065531205 /nfs/dbraw/zinc/53/12/05/1065531205.db2.gz TYXAFDUKGBTACS-YOSAUDMPSA-N 1 0 451.656 3.156 20 0 JGADRO CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001300801479 1065533444 /nfs/dbraw/zinc/53/34/44/1065533444.db2.gz YTEFIVOAZNFGST-GHTZIAJQSA-N 1 0 475.037 3.209 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)CC[C@H]1C ZINC001300803825 1065535543 /nfs/dbraw/zinc/53/55/43/1065535543.db2.gz KTGATRMHGPIKKN-CFCCAZDESA-N 1 0 498.853 3.289 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)CC[C@@H]1C ZINC001300803826 1065535766 /nfs/dbraw/zinc/53/57/66/1065535766.db2.gz KTGATRMHGPIKKN-FIKMYACPSA-N 1 0 498.853 3.289 20 0 JGADRO 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CO[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1(C)C ZINC001300841226 1065579624 /nfs/dbraw/zinc/57/96/24/1065579624.db2.gz HLWQFMSWTAGGHC-GOTSBHOMSA-N 1 0 471.646 3.384 20 0 JGADRO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCCC2)CC1(C)C ZINC001300841659 1065579662 /nfs/dbraw/zinc/57/96/62/1065579662.db2.gz IFENNXWLJDECQX-GOSISDBHSA-N 1 0 460.648 3.005 20 0 JGADRO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CC2CC[NH+](CCN(C)C)CC2)CC[C@@H]1C ZINC001300842927 1065580854 /nfs/dbraw/zinc/58/08/54/1065580854.db2.gz OIADFIXVQXJLLO-WIOPSUGQSA-N 1 0 484.689 3.300 20 0 JGADRO CO[C@H]1CN(c2nnc(COc3cccc(C)c3)n2CC2CC[NH+](CCN(C)C)CC2)CC[C@@H]1C ZINC001300842924 1065580892 /nfs/dbraw/zinc/58/08/92/1065580892.db2.gz OIADFIXVQXJLLO-DHLKQENFSA-N 1 0 484.689 3.300 20 0 JGADRO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC[C@H]1C ZINC001300843320 1065581929 /nfs/dbraw/zinc/58/19/29/1065581929.db2.gz PUYRJRAVODZXSK-NJDAHSKKSA-N 1 0 488.702 3.499 20 0 JGADRO 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477.694 3.415 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001300881642 1065666521 /nfs/dbraw/zinc/66/65/21/1065666521.db2.gz YKNDVIHQHCZMQW-UHFFFAOYSA-N 1 0 489.064 3.406 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300882662 1065669123 /nfs/dbraw/zinc/66/91/23/1065669123.db2.gz LCUSPQIDYVDFGV-PMACEKPBSA-N 1 0 486.636 3.136 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300886860 1065674593 /nfs/dbraw/zinc/67/45/93/1065674593.db2.gz MZXMGYREXYIHFU-FGZHOGPDSA-N 1 0 498.672 3.007 20 0 JGADRO COCC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300892705 1065682274 /nfs/dbraw/zinc/68/22/74/1065682274.db2.gz RJRDXEPYACQWNB-VXKWHMMOSA-N 1 0 496.700 3.229 20 0 JGADRO COCC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300892703 1065682328 /nfs/dbraw/zinc/68/23/28/1065682328.db2.gz RJRDXEPYACQWNB-FGZHOGPDSA-N 1 0 496.700 3.229 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001300903734 1065701794 /nfs/dbraw/zinc/70/17/94/1065701794.db2.gz RHYXZHIHRAQDPJ-JOCHJYFZSA-N 1 0 468.646 3.105 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001300903848 1065702230 /nfs/dbraw/zinc/70/22/30/1065702230.db2.gz WEOPXIPOHKRYBA-UHFFFAOYSA-N 1 0 489.064 3.452 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001300903922 1065702249 /nfs/dbraw/zinc/70/22/49/1065702249.db2.gz YNRQUHVIWGZTMJ-UHFFFAOYSA-N 1 0 472.609 3.080 20 0 JGADRO COCC(C)(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001300925691 1065723420 /nfs/dbraw/zinc/72/34/20/1065723420.db2.gz NHTLNVLASUKQID-FQEVSTJZSA-N 1 0 481.707 3.088 20 0 JGADRO COCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001300946560 1065750344 /nfs/dbraw/zinc/75/03/44/1065750344.db2.gz JMLMZQQCMTTXIU-UHFFFAOYSA-N 1 0 465.646 3.443 20 0 JGADRO 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CC(=O)N1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001301699464 1066587949 /nfs/dbraw/zinc/58/79/49/1066587949.db2.gz MNNCPGXDVCRWSC-UHFFFAOYSA-N 1 0 460.573 3.082 20 0 JGADRO COCCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302140216 1066587931 /nfs/dbraw/zinc/58/79/31/1066587931.db2.gz HBICPOWZZJCXAP-OAQYLSRUSA-N 1 0 457.619 3.166 20 0 JGADRO CC(=O)N1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301699943 1066589332 /nfs/dbraw/zinc/58/93/32/1066589332.db2.gz GCTXZRCBGLDIRZ-SJBKTWHCSA-N 1 0 460.667 3.335 20 0 JGADRO CC(=O)N1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001301701702 1066590570 /nfs/dbraw/zinc/59/05/70/1066590570.db2.gz YTKVRHVZKSXKSE-QHCPKHFHSA-N 1 0 465.577 3.149 20 0 JGADRO CC(=O)N1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301703842 1066592378 /nfs/dbraw/zinc/59/23/78/1066592378.db2.gz IGFYGMXQDSMLOQ-YADHBBJMSA-N 1 0 468.646 3.345 20 0 JGADRO 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Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC001304028879 1067076748 /nfs/dbraw/zinc/07/67/48/1067076748.db2.gz ISVZGEWKMDXEQS-KCZVDYSFSA-N 1 0 498.672 3.249 20 0 JGADRO CC1=C(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001304029023 1067077097 /nfs/dbraw/zinc/07/70/97/1067077097.db2.gz MWPVPEYPUTVJLD-NRFANRHFSA-N 1 0 486.686 3.347 20 0 JGADRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC1 ZINC001302476254 1067078515 /nfs/dbraw/zinc/07/85/15/1067078515.db2.gz JHJYLHOIUSGLNU-SFHVURJKSA-N 1 0 454.036 3.461 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001302487445 1067086599 /nfs/dbraw/zinc/08/65/99/1067086599.db2.gz KHBRVUFMEQZWAL-NZQKXSOJSA-N 1 0 492.462 3.416 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001302490349 1067091283 /nfs/dbraw/zinc/09/12/83/1067091283.db2.gz ZDEIDMXAURDHCZ-MHZLTWQESA-N 1 0 477.657 3.001 20 0 JGADRO CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001302495004 1067093923 /nfs/dbraw/zinc/09/39/23/1067093923.db2.gz CAQGKIFNJZFCSP-SQJMNOBHSA-N 1 0 459.610 3.431 20 0 JGADRO Cc1nc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CC[NH+](C(C)C)C(C)C)CC2)sc1C ZINC001304055845 1067096169 /nfs/dbraw/zinc/09/61/69/1067096169.db2.gz MYUGAAGKONSQAB-UHFFFAOYSA-N 1 0 488.706 3.033 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC(C)(C)C[NH+](C)C ZINC001304057248 1067097213 /nfs/dbraw/zinc/09/72/13/1067097213.db2.gz LJMMSYCFHIQCRC-CALCHBBNSA-N 1 0 493.747 3.465 20 0 JGADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@@H+](C)C(C)C ZINC001304057277 1067097677 /nfs/dbraw/zinc/09/76/77/1067097677.db2.gz MAEQCFAGOBZYRB-KRWDZBQOSA-N 1 0 467.643 3.384 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C(C)C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001304057507 1067098398 /nfs/dbraw/zinc/09/83/98/1067098398.db2.gz SYVZPERCISMSTD-QGZVFWFLSA-N 1 0 461.680 3.369 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCCO[C@H](C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304059663 1067102883 /nfs/dbraw/zinc/10/28/83/1067102883.db2.gz SFHAICZEABOOMB-UYAOXDASSA-N 1 0 491.706 3.138 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCCOC(C)C ZINC001304060114 1067104243 /nfs/dbraw/zinc/10/42/43/1067104243.db2.gz XBCDMOONCWZUCN-UHFFFAOYSA-N 1 0 491.706 3.140 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001302510679 1067119478 /nfs/dbraw/zinc/11/94/78/1067119478.db2.gz NIXDSHNAOOVWEJ-IFMALSPDSA-N 1 0 474.694 3.281 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001302511112 1067120383 /nfs/dbraw/zinc/12/03/83/1067120383.db2.gz QDHVPSUIZRJIAL-FQEVSTJZSA-N 1 0 476.710 3.355 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O)[NH+]1CCCC1 ZINC001302511979 1067124111 /nfs/dbraw/zinc/12/41/11/1067124111.db2.gz AGOHFYSIKAFSAS-QHCPKHFHSA-N 1 0 484.670 3.485 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+](C)C2CC2)cnn1C ZINC001304079561 1067124367 /nfs/dbraw/zinc/12/43/67/1067124367.db2.gz OBSHSTMPICUAHN-ZDUSSCGKSA-N 1 0 461.412 3.197 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001302512498 1067125568 /nfs/dbraw/zinc/12/55/68/1067125568.db2.gz DEAHWBYTZXZECI-NRFANRHFSA-N 1 0 458.010 3.325 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cnn1C ZINC001304080173 1067125726 /nfs/dbraw/zinc/12/57/26/1067125726.db2.gz RAQAFFBFUBLMSB-XUZZJYLKSA-N 1 0 487.674 3.361 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC001302513095 1067127005 /nfs/dbraw/zinc/12/70/05/1067127005.db2.gz HXQYQKSSDZULCZ-HXUWFJFHSA-N 1 0 477.053 3.306 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@@H]1C)[NH+]1CCOCC1 ZINC001302514127 1067130115 /nfs/dbraw/zinc/13/01/15/1067130115.db2.gz OBTMUMUMYNSOJX-LPHOPBHVSA-N 1 0 497.507 3.345 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001304082961 1067130152 /nfs/dbraw/zinc/13/01/52/1067130152.db2.gz YVKVOUVBHAZCEJ-KRWDZBQOSA-N 1 0 462.023 3.242 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001302515015 1067132822 /nfs/dbraw/zinc/13/28/22/1067132822.db2.gz HXLKCNRAKUYNON-TZIWHRDSSA-N 1 0 486.665 3.245 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001302515233 1067133402 /nfs/dbraw/zinc/13/34/02/1067133402.db2.gz WHTMXIYKHRWTLS-FCEWJHQRSA-N 1 0 465.440 3.485 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(Cc2cccnc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001304091645 1067134543 /nfs/dbraw/zinc/13/45/43/1067134543.db2.gz FQZYQNJOGOVUQH-GOSISDBHSA-N 1 0 455.632 3.166 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCOCC1 ZINC001302516515 1067135729 /nfs/dbraw/zinc/13/57/29/1067135729.db2.gz UIJPPVQQHGJWIA-HXUWFJFHSA-N 1 0 475.519 3.146 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001304092373 1067135794 /nfs/dbraw/zinc/13/57/94/1067135794.db2.gz WRIHKHVOKUBGNM-LJQANCHMSA-N 1 0 458.607 3.256 20 0 JGADRO Cc1occc1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCC1 ZINC001304093256 1067136917 /nfs/dbraw/zinc/13/69/17/1067136917.db2.gz WZVFGDNCUAMVPC-HXUWFJFHSA-N 1 0 474.606 3.220 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001302517709 1067137452 /nfs/dbraw/zinc/13/74/52/1067137452.db2.gz BBTDXEGYJWPCPN-JOCHJYFZSA-N 1 0 492.665 3.065 20 0 JGADRO CSC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001302517854 1067137518 /nfs/dbraw/zinc/13/75/18/1067137518.db2.gz ANNQSGKNCWUEQP-PMACEKPBSA-N 1 0 457.692 3.477 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302518359 1067137989 /nfs/dbraw/zinc/13/79/89/1067137989.db2.gz FXEBZEHGXCMWEU-HXUWFJFHSA-N 1 0 493.578 3.355 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302519209 1067138999 /nfs/dbraw/zinc/13/89/99/1067138999.db2.gz MDOPGEWWCWOFNN-UNMCSNQZSA-N 1 0 499.660 3.048 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001302519204 1067139021 /nfs/dbraw/zinc/13/90/21/1067139021.db2.gz MDIDHFFSRMGGMX-NSHGMRRFSA-N 1 0 450.578 3.368 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)N1CCOCC1 ZINC001302523376 1067144154 /nfs/dbraw/zinc/14/41/54/1067144154.db2.gz JENADBRDTQCUTM-BJKOFHAPSA-N 1 0 476.710 3.086 20 0 JGADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+]1CCCC1 ZINC001302524779 1067146455 /nfs/dbraw/zinc/14/64/55/1067146455.db2.gz PMMQHVFUNQZVPU-JOCHJYFZSA-N 1 0 467.662 3.345 20 0 JGADRO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001302525789 1067149321 /nfs/dbraw/zinc/14/93/21/1067149321.db2.gz GFNWDBNHSCOSPK-MOPGFXCFSA-N 1 0 494.706 3.403 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)N1CCOCC1 ZINC001302526947 1067152404 /nfs/dbraw/zinc/15/24/04/1067152404.db2.gz WSPNIUXFGDWNIJ-DHIUTWEWSA-N 1 0 476.710 3.087 20 0 JGADRO CC(C)[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCCC1 ZINC001302527195 1067153092 /nfs/dbraw/zinc/15/30/92/1067153092.db2.gz AJOURSDSFFIFPF-GMAHTHKFSA-N 1 0 452.647 3.241 20 0 JGADRO CC(C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001302528219 1067156215 /nfs/dbraw/zinc/15/62/15/1067156215.db2.gz HLMVLJIJNIFJKK-HSZRJFAPSA-N 1 0 473.687 3.197 20 0 JGADRO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC[C@@H]1C)[NH+]1CCCC1 ZINC001302528850 1067157179 /nfs/dbraw/zinc/15/71/79/1067157179.db2.gz MRBZMFJOLRZMEP-ZWKOTPCHSA-N 1 0 462.689 3.332 20 0 JGADRO CSC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302530900 1067159488 /nfs/dbraw/zinc/15/94/88/1067159488.db2.gz IFAXRNBKASATFS-UHFFFAOYSA-N 1 0 464.705 3.324 20 0 JGADRO CC(C)[C@H](Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001302531374 1067160333 /nfs/dbraw/zinc/16/03/33/1067160333.db2.gz IVGKTWIHONXSJY-DEOSSOPVSA-N 1 0 495.716 3.134 20 0 JGADRO CSC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302535385 1067164918 /nfs/dbraw/zinc/16/49/18/1067164918.db2.gz UMVOXHYMFFWOSX-SFHVURJKSA-N 1 0 463.623 3.296 20 0 JGADRO CC(C)c1ccccc1OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001302536660 1067168413 /nfs/dbraw/zinc/16/84/13/1067168413.db2.gz JYNGUEHUIWBJEM-FQEVSTJZSA-N 1 0 454.619 3.352 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001304133860 1067172546 /nfs/dbraw/zinc/17/25/46/1067172546.db2.gz OSIJEHNUFCRXLG-OAQYLSRUSA-N 1 0 483.661 3.228 20 0 JGADRO CS[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001302542123 1067173732 /nfs/dbraw/zinc/17/37/32/1067173732.db2.gz RJEJKLIBCBSGGQ-KRWDZBQOSA-N 1 0 465.067 3.391 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2ccc[nH]2)n1CC1([NH+](C)C)CCOCC1 ZINC001304134114 1067173786 /nfs/dbraw/zinc/17/37/86/1067173786.db2.gz YHROGEHQVNOUOC-UHFFFAOYSA-N 1 0 465.602 3.076 20 0 JGADRO CS[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302542635 1067174873 /nfs/dbraw/zinc/17/48/73/1067174873.db2.gz UGXRLYXHKOKCAG-QYZOEREBSA-N 1 0 463.623 3.467 20 0 JGADRO CS[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001302542955 1067175322 /nfs/dbraw/zinc/17/53/22/1067175322.db2.gz WGTUPKFIBCUYAZ-XBMUEBEBSA-N 1 0 457.648 3.378 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304136655 1067175370 /nfs/dbraw/zinc/17/53/70/1067175370.db2.gz UPNIMBXSIDQAMH-CJFMBICVSA-N 1 0 486.686 3.301 20 0 JGADRO COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001304136446 1067175387 /nfs/dbraw/zinc/17/53/87/1067175387.db2.gz ZSLXKUWYRDBIMA-UQBPGWFLSA-N 1 0 452.530 3.136 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304136459 1067175475 /nfs/dbraw/zinc/17/54/75/1067175475.db2.gz OJLTYENZHDPFSJ-ZRBLBEILSA-N 1 0 498.672 3.363 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCNC(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001304137491 1067177169 /nfs/dbraw/zinc/17/71/69/1067177169.db2.gz FDPQALDJFCTPQT-LJQANCHMSA-N 1 0 475.037 3.356 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCS(C)(=O)=O)n1C[C@H](C)[NH+](C)C ZINC001304138418 1067178147 /nfs/dbraw/zinc/17/81/47/1067178147.db2.gz FLOVIBLVOLJNGC-DLBZAZTESA-N 1 0 472.055 3.119 20 0 JGADRO CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302545232 1067178924 /nfs/dbraw/zinc/17/89/24/1067178924.db2.gz HMIRPIRUIPHNGV-KNKQGSTJSA-N 1 0 456.660 3.076 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCNC(=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001304139088 1067179371 /nfs/dbraw/zinc/17/93/71/1067179371.db2.gz LFHHXYHCQPLNNX-IBGZPJMESA-N 1 0 473.021 3.277 20 0 JGADRO CS[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001302548074 1067184111 /nfs/dbraw/zinc/18/41/11/1067184111.db2.gz MLFFWXIRVYGBAU-QZTJIDSGSA-N 1 0 477.700 3.411 20 0 JGADRO Cc1cc(C(=O)N2CCN(c3nnc(-c4ccccn4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c(C)o1 ZINC001304144108 1067186459 /nfs/dbraw/zinc/18/64/59/1067186459.db2.gz MFMATITXQWARQE-OAQYLSRUSA-N 1 0 479.629 3.489 20 0 JGADRO CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001302550314 1067186514 /nfs/dbraw/zinc/18/65/14/1067186514.db2.gz WEMXHPLWAZUABW-UAPYVXQJSA-N 1 0 451.011 3.272 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)CC2)no1 ZINC001304145401 1067187571 /nfs/dbraw/zinc/18/75/71/1067187571.db2.gz BOCHQSBZYZJFNE-OAQYLSRUSA-N 1 0 457.623 3.217 20 0 JGADRO CC(C)c1ncc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)C[NH+](C)C)cn1 ZINC001302553500 1067191158 /nfs/dbraw/zinc/19/11/58/1067191158.db2.gz ZDNUEDNZNYHWQR-UHFFFAOYSA-N 1 0 499.685 3.486 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCC[C@@H](C)C3)CC2)no1 ZINC001304147431 1067192960 /nfs/dbraw/zinc/19/29/60/1067192960.db2.gz SDOGCQHMICVREB-GOSISDBHSA-N 1 0 471.650 3.294 20 0 JGADRO CS[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001302556195 1067194759 /nfs/dbraw/zinc/19/47/59/1067194759.db2.gz WKPUIQLLQPIZJY-FQEVSTJZSA-N 1 0 457.692 3.395 20 0 JGADRO Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)c(C)o1 ZINC001304150618 1067195300 /nfs/dbraw/zinc/19/53/00/1067195300.db2.gz CCFWJZIFZARNSS-BWKNWUBXSA-N 1 0 459.635 3.143 20 0 JGADRO CC(C)c1ncc(CN(C)c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC001302558277 1067198212 /nfs/dbraw/zinc/19/82/12/1067198212.db2.gz ZEUZCJWQTCCROJ-AREMUKBSSA-N 1 0 463.630 3.070 20 0 JGADRO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302560525 1067201162 /nfs/dbraw/zinc/20/11/62/1067201162.db2.gz ADDXYBRCUJHYTA-PXNSSMCTSA-N 1 0 462.664 3.367 20 0 JGADRO 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CC(C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001302633191 1067262077 /nfs/dbraw/zinc/26/20/77/1067262077.db2.gz MYBYFZLILFINPM-UHFFFAOYSA-N 1 0 468.646 3.372 20 0 JGADRO CC(C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001302634103 1067262995 /nfs/dbraw/zinc/26/29/95/1067262995.db2.gz SNIOJGSTHOGJQJ-UHFFFAOYSA-N 1 0 477.604 3.441 20 0 JGADRO C[C@@H](C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001302635156 1067264498 /nfs/dbraw/zinc/26/44/98/1067264498.db2.gz LEYZSIJZDHIQAO-IBGZPJMESA-N 1 0 455.624 3.169 20 0 JGADRO Cc1cc(CN2CCN(c3nnc([C@@H]4CCCCO4)n3CC[NH+](C(C)C)C(C)C)CC2)no1 ZINC001304231519 1067268459 /nfs/dbraw/zinc/26/84/59/1067268459.db2.gz XHCOLCHUQAQPNC-QFIPXVFZSA-N 1 0 459.639 3.257 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C3CCC3)CC2)n1CCC(=O)N(C)C ZINC001304231742 1067268859 /nfs/dbraw/zinc/26/88/59/1067268859.db2.gz ADHZVSWJWPFMON-UHFFFAOYSA-N 1 0 489.064 3.404 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001304233613 1067271747 /nfs/dbraw/zinc/27/17/47/1067271747.db2.gz WRIWHOQDRILABZ-RXVVDRJESA-N 1 0 489.064 3.259 20 0 JGADRO Cc1cc(F)cc2c1CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C)[NH+]1CCCCC1)CC2 ZINC001304233578 1067272214 /nfs/dbraw/zinc/27/22/14/1067272214.db2.gz IQIONPVVSXXMJU-RTBURBONSA-N 1 0 492.665 3.163 20 0 JGADRO Cc1cccc([C@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C(=O)OC(C)(C)C)c1 ZINC001304240544 1067278129 /nfs/dbraw/zinc/27/81/29/1067278129.db2.gz ZEKMVCQWRLPMNM-NRFANRHFSA-N 1 0 452.555 3.425 20 0 JGADRO CSc1ccc(F)cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302652570 1067278974 /nfs/dbraw/zinc/27/89/74/1067278974.db2.gz CSIGUUVPQUWKOQ-SFHVURJKSA-N 1 0 460.623 3.449 20 0 JGADRO Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CCCC[NH+]2CCOCC2)c1 ZINC001304245031 1067280162 /nfs/dbraw/zinc/28/01/62/1067280162.db2.gz CXLIURCIMWUCDE-UHFFFAOYSA-N 1 0 468.627 3.458 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302654058 1067281333 /nfs/dbraw/zinc/28/13/33/1067281333.db2.gz AVGUBBCYIBEHNA-HXUWFJFHSA-N 1 0 477.698 3.169 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H]2c2nncn2C)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001302657199 1067285245 /nfs/dbraw/zinc/28/52/45/1067285245.db2.gz CNTPZEOUZFDQMC-NRFANRHFSA-N 1 0 452.607 3.250 20 0 JGADRO CSc1ccccc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1 ZINC001302659427 1067286538 /nfs/dbraw/zinc/28/65/38/1067286538.db2.gz RBQDISBXECRWLN-QGZVFWFLSA-N 1 0 492.715 3.121 20 0 JGADRO CS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001302663581 1067290427 /nfs/dbraw/zinc/29/04/27/1067290427.db2.gz OSTWYJXTDIPKKG-HTAPYJJXSA-N 1 0 475.688 3.085 20 0 JGADRO Cc1ccc(C(=O)N2CCN(c3nnc(-c4ccccn4)n3CC(C)(C)C[NH+](C)C)CC2)s1 ZINC001304255655 1067291032 /nfs/dbraw/zinc/29/10/32/1067291032.db2.gz JCNOJMCKYROYGY-UHFFFAOYSA-N 1 0 467.643 3.260 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302666523 1067293817 /nfs/dbraw/zinc/29/38/17/1067293817.db2.gz PKMNYIFAIJBZAP-NSISKUIASA-N 1 0 498.694 3.052 20 0 JGADRO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCCC[NH+]3CCOCC3)CC2)s1 ZINC001304259880 1067294193 /nfs/dbraw/zinc/29/41/93/1067294193.db2.gz IYHFTYHPAQTABK-UHFFFAOYSA-N 1 0 488.702 3.457 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001302667360 1067294762 /nfs/dbraw/zinc/29/47/62/1067294762.db2.gz XVBHNRHXNZWXSY-TZBSWOFLSA-N 1 0 495.734 3.397 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001302667704 1067294788 /nfs/dbraw/zinc/29/47/88/1067294788.db2.gz YPTQANZKUVBKET-XUVXKRRUSA-N 1 0 486.752 3.122 20 0 JGADRO CS[C@H]1CCCCN(c2nnc(-c3ccccn3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001302668137 1067295728 /nfs/dbraw/zinc/29/57/28/1067295728.db2.gz IYZBBJAYLHGHDQ-NRFANRHFSA-N 1 0 457.692 3.336 20 0 JGADRO CS[C@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001302670747 1067296763 /nfs/dbraw/zinc/29/67/63/1067296763.db2.gz BGNIYMHFKRPCDT-VQTJNVASSA-N 1 0 460.623 3.222 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001302673172 1067298801 /nfs/dbraw/zinc/29/88/01/1067298801.db2.gz BSQBKCKPZGSEIK-LJQANCHMSA-N 1 0 464.536 3.211 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302673385 1067298922 /nfs/dbraw/zinc/29/89/22/1067298922.db2.gz BYCOSPZYVUQLJM-WOJBJXKFSA-N 1 0 464.655 3.084 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001302674155 1067299826 /nfs/dbraw/zinc/29/98/26/1067299826.db2.gz JSYHLGLVGHEYHI-LJQANCHMSA-N 1 0 494.562 3.134 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001302675583 1067300992 /nfs/dbraw/zinc/30/09/92/1067300992.db2.gz YROGVQAYAQGTRV-QFIPXVFZSA-N 1 0 488.080 3.102 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+](C)C)C1 ZINC001302678864 1067304415 /nfs/dbraw/zinc/30/44/15/1067304415.db2.gz OMWIJHNYKUOJCP-QRVBRYPASA-N 1 0 482.695 3.259 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[NH+]2CCOCC2)c1 ZINC001304272143 1067307640 /nfs/dbraw/zinc/30/76/40/1067307640.db2.gz FXUGRDHNOZJJTH-JOCHJYFZSA-N 1 0 498.672 3.068 20 0 JGADRO Cc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CCc2nccs2)[NH+](C)C)cc1 ZINC001304273044 1067308893 /nfs/dbraw/zinc/30/88/93/1067308893.db2.gz HYBIARXMPZXMJJ-FQEVSTJZSA-N 1 0 450.616 3.425 20 0 JGADRO Cc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001304273780 1067310483 /nfs/dbraw/zinc/31/04/83/1067310483.db2.gz KDEQOLGTESNRGO-NQIIRXRSSA-N 1 0 490.578 3.363 20 0 JGADRO CC(C)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302685975 1067311361 /nfs/dbraw/zinc/31/13/61/1067311361.db2.gz VMULZICMLSVACS-FQEVSTJZSA-N 1 0 456.545 3.099 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnccn2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001304274347 1067311212 /nfs/dbraw/zinc/31/12/12/1067311212.db2.gz LMIWADFIGGZFOM-HSZRJFAPSA-N 1 0 459.602 3.333 20 0 JGADRO CSCc1cccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001302686198 1067311601 /nfs/dbraw/zinc/31/16/01/1067311601.db2.gz DZOSWOXKNRPKPD-OAQYLSRUSA-N 1 0 456.660 3.056 20 0 JGADRO Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C3CCOCC3)C2)[NH+](C)C)cc1 ZINC001304276533 1067314656 /nfs/dbraw/zinc/31/46/56/1067314656.db2.gz SIDIEOROUNWPFR-DHIUTWEWSA-N 1 0 468.646 3.281 20 0 JGADRO CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001302689710 1067314748 /nfs/dbraw/zinc/31/47/48/1067314748.db2.gz PJBZJIGWJMIYBK-UHFFFAOYSA-N 1 0 473.710 3.189 20 0 JGADRO Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C3CCOCC3)C2)[NH+](C)C)cc1 ZINC001304276536 1067315253 /nfs/dbraw/zinc/31/52/53/1067315253.db2.gz SIDIEOROUNWPFR-XZOQPEGZSA-N 1 0 468.646 3.281 20 0 JGADRO Cc1ccc([C@H](Cn2c(N3CCN(CC(=O)NC(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001304277639 1067316096 /nfs/dbraw/zinc/31/60/96/1067316096.db2.gz FIZDAGLKJJZTBO-DEOSSOPVSA-N 1 0 495.716 3.368 20 0 JGADRO Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2cnn(C)c2)[NH+](C)C)cc1 ZINC001304277593 1067316380 /nfs/dbraw/zinc/31/63/80/1067316380.db2.gz XSJXMVCSXAAOCZ-FGZHOGPDSA-N 1 0 464.618 3.103 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC001304277797 1067316757 /nfs/dbraw/zinc/31/67/57/1067316757.db2.gz FXKYWXMVZRYXBD-CEXWTWQISA-N 1 0 453.509 3.161 20 0 JGADRO Cc1ccc([C@H](Cn2c(N3CC[C@H](CN4CCOCC4)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001304278085 1067317151 /nfs/dbraw/zinc/31/71/51/1067317151.db2.gz JVQOUWHCCJZPOU-GGAORHGYSA-N 1 0 454.663 3.345 20 0 JGADRO Cc1ccc([C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC001304278082 1067317178 /nfs/dbraw/zinc/31/71/78/1067317178.db2.gz JCLAMAPBEMPMPO-DHIUTWEWSA-N 1 0 482.673 3.478 20 0 JGADRO Cc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ncc(Cl)n2C)[NH+](C)C)cc1 ZINC001304277867 1067317246 /nfs/dbraw/zinc/31/72/46/1067317246.db2.gz HIMNMFWLJHTUEC-IBGZPJMESA-N 1 0 485.036 3.035 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)[NH+](C)C)cc1 ZINC001304278772 1067319238 /nfs/dbraw/zinc/31/92/38/1067319238.db2.gz NYLRCGLIOVOFEN-PKTZIBPZSA-N 1 0 484.645 3.308 20 0 JGADRO Cc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001304279404 1067319557 /nfs/dbraw/zinc/31/95/57/1067319557.db2.gz VVRXMBIWROHAAB-RUZDIDTESA-N 1 0 491.684 3.422 20 0 JGADRO Cc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001304279405 1067319847 /nfs/dbraw/zinc/31/98/47/1067319847.db2.gz VVRXMBIWROHAAB-VWLOTQADSA-N 1 0 491.684 3.422 20 0 JGADRO Cc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[C@@H](CN3CCOCC3)C2)[NH+](C)C)cc1 ZINC001304279297 1067319903 /nfs/dbraw/zinc/31/99/03/1067319903.db2.gz UDMYQIAFWVAKQH-LADGPHEKSA-N 1 0 454.663 3.246 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cnccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001304280518 1067320836 /nfs/dbraw/zinc/32/08/36/1067320836.db2.gz ZITXFEMQFNZHOF-QFIPXVFZSA-N 1 0 479.629 3.401 20 0 JGADRO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302696501 1067321935 /nfs/dbraw/zinc/32/19/35/1067321935.db2.gz PDMQTNSGZYTMNX-DLBZAZTESA-N 1 0 483.480 3.214 20 0 JGADRO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302696502 1067321998 /nfs/dbraw/zinc/32/19/98/1067321998.db2.gz PDMQTNSGZYTMNX-IAGOWNOFSA-N 1 0 483.480 3.214 20 0 JGADRO CC(C)c1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302697859 1067323533 /nfs/dbraw/zinc/32/35/33/1067323533.db2.gz BJAYRMQFHGXEGZ-TZIWHRDSSA-N 1 0 479.572 3.428 20 0 JGADRO CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302698687 1067323748 /nfs/dbraw/zinc/32/37/48/1067323748.db2.gz MCVRFBFYOLHGMN-QNWVGRARSA-N 1 0 488.702 3.172 20 0 JGADRO CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302698685 1067323907 /nfs/dbraw/zinc/32/39/07/1067323907.db2.gz MCVRFBFYOLHGMN-FUPPJEDESA-N 1 0 488.702 3.172 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302700302 1067325107 /nfs/dbraw/zinc/32/51/07/1067325107.db2.gz FPHOFIASATYWTN-RTWAWAEBSA-N 1 0 459.660 3.493 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)NC(C)C)n2CC2([NH+](C)C)CCCC2)c1 ZINC001304284467 1067326250 /nfs/dbraw/zinc/32/62/50/1067326250.db2.gz TYZOAPBSBYCMCP-UHFFFAOYSA-N 1 0 456.635 3.309 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCOC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001304284778 1067326658 /nfs/dbraw/zinc/32/66/58/1067326658.db2.gz UJWQAJGXBJGKMV-YPAWHYETSA-N 1 0 457.619 3.198 20 0 JGADRO CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001302704765 1067326995 /nfs/dbraw/zinc/32/69/95/1067326995.db2.gz NNRBRLJARANMMM-NQIIRXRSSA-N 1 0 454.402 3.353 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC(=O)NCC(F)F)c1 ZINC001304285299 1067327191 /nfs/dbraw/zinc/32/71/91/1067327191.db2.gz GTYNQPDNBYHEMJ-HXUWFJFHSA-N 1 0 490.599 3.167 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc(Cc2csc(C)n2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302705423 1067327723 /nfs/dbraw/zinc/32/77/23/1067327723.db2.gz AHXWHLHVRPPTJH-HLIPFELVSA-N 1 0 464.705 3.465 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001304286550 1067328352 /nfs/dbraw/zinc/32/83/52/1067328352.db2.gz ACGJMYMXOUWGLA-UNMCSNQZSA-N 1 0 489.686 3.219 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(O)CCSC2)c1 ZINC001304286562 1067328384 /nfs/dbraw/zinc/32/83/84/1067328384.db2.gz ADKGLTKDECKFEI-DEOSSOPVSA-N 1 0 459.660 3.309 20 0 JGADRO CSC[C@H]1CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCC1 ZINC001302707367 1067329214 /nfs/dbraw/zinc/32/92/14/1067329214.db2.gz PWAAPUNCFVRURY-RTBURBONSA-N 1 0 494.706 3.403 20 0 JGADRO 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COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)cc1S(=O)(=O)NC(C)(C)C ZINC001302721169 1067336732 /nfs/dbraw/zinc/33/67/32/1067336732.db2.gz BYLHLVCAYPVARH-FQEVSTJZSA-N 1 0 459.612 3.085 20 0 JGADRO CSCC[C@@H](C)N(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302721971 1067337465 /nfs/dbraw/zinc/33/74/65/1067337465.db2.gz FFVJJUYDQRWUCT-GOSISDBHSA-N 1 0 498.701 3.198 20 0 JGADRO CSCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CC=CCC1 ZINC001302725171 1067341100 /nfs/dbraw/zinc/34/11/00/1067341100.db2.gz SVRWSBBFDBGSQE-SFHVURJKSA-N 1 0 467.643 3.032 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304292707 1067341485 /nfs/dbraw/zinc/34/14/85/1067341485.db2.gz VTMRIDGLKRAAFJ-UHFFFAOYSA-N 1 0 454.619 3.015 20 0 JGADRO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCC3)CC2)n1 ZINC001302725646 1067341451 /nfs/dbraw/zinc/34/14/51/1067341451.db2.gz QPFVVPANGUJUAX-LJQANCHMSA-N 1 0 458.655 3.352 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCN(c4nc(C)cc(C)n4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304292829 1067342003 /nfs/dbraw/zinc/34/20/03/1067342003.db2.gz XEDLEMFAWJYQEW-QFIPXVFZSA-N 1 0 478.645 3.157 20 0 JGADRO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(Cc4ccc(F)cc4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001302726936 1067342743 /nfs/dbraw/zinc/34/27/43/1067342743.db2.gz XBWUTMBUUBSJNG-RBUKOAKNSA-N 1 0 484.624 3.348 20 0 JGADRO CSCC[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001302728405 1067344525 /nfs/dbraw/zinc/34/45/25/1067344525.db2.gz ZSLNOPZKPVOXSE-UUOWRZLLSA-N 1 0 496.722 3.037 20 0 JGADRO CC(C)[C@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCOCC[NH+](C)C)C1 ZINC001302729979 1067345081 /nfs/dbraw/zinc/34/50/81/1067345081.db2.gz HUWGDCSDILKDAK-SFHVURJKSA-N 1 0 453.591 3.045 20 0 JGADRO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001302732512 1067346386 /nfs/dbraw/zinc/34/63/86/1067346386.db2.gz VXZFMWIZFUBCJJ-NJDAHSKKSA-N 1 0 451.681 3.317 20 0 JGADRO 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Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)o1 ZINC001304319662 1067367167 /nfs/dbraw/zinc/36/71/67/1067367167.db2.gz FPMNDIMYKPKUHA-NHCUHLMSSA-N 1 0 486.661 3.072 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001304319872 1067367263 /nfs/dbraw/zinc/36/72/63/1067367263.db2.gz OQNSYHPRSOUMGG-WMZOPIPTSA-N 1 0 489.462 3.461 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCn2cnnn2)cc1Br ZINC001304321636 1067368605 /nfs/dbraw/zinc/36/86/05/1067368605.db2.gz BFBZGTNCVFCRHX-UHFFFAOYSA-N 1 0 488.438 3.013 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@H](c2ccco2)[NH+](C)C)o1 ZINC001304321821 1067368650 /nfs/dbraw/zinc/36/86/50/1067368650.db2.gz DEFJAXRHDBVANT-GOSISDBHSA-N 1 0 469.590 3.373 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001302772119 1067369682 /nfs/dbraw/zinc/36/96/82/1067369682.db2.gz JVWRTJXNDOUAFG-GHTZIAJQSA-N 1 0 466.001 3.446 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[N@H+](Cc4ccccc4)CC3)n2CCCC(=O)N(C)C)o1 ZINC001304322714 1067370368 /nfs/dbraw/zinc/37/03/68/1067370368.db2.gz KZNCSPJNNXTYNI-UHFFFAOYSA-N 1 0 450.587 3.427 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2ccc(C[S@](C)=O)cc2)o1 ZINC001304324228 1067372385 /nfs/dbraw/zinc/37/23/85/1067372385.db2.gz NFUDJKNOPHMMTM-UMSFTDKQSA-N 1 0 485.654 3.320 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2(O)CCC2)cc1Br ZINC001304324731 1067373030 /nfs/dbraw/zinc/37/30/30/1067373030.db2.gz RJTQDKMVZZPXLP-UHFFFAOYSA-N 1 0 492.462 3.478 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOc4ccccc4)CC3)n2C[C@](C)(O)C(C)C)o1 ZINC001304325845 1067375041 /nfs/dbraw/zinc/37/50/41/1067375041.db2.gz YCMPQWCBXVNYIV-VWLOTQADSA-N 1 0 453.587 3.455 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CC[S@](=O)C(C)(C)C)o1 ZINC001304326552 1067375724 /nfs/dbraw/zinc/37/57/24/1067375724.db2.gz VXIWIHNQLLQQJH-IQVDJAOASA-N 1 0 463.648 3.083 20 0 JGADRO Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H](C)[N@H+](C)C2CC2)cc1Br ZINC001304327170 1067376049 /nfs/dbraw/zinc/37/60/49/1067376049.db2.gz FDSGBONUUNCWEN-HNNXBMFYSA-N 1 0 466.449 3.067 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCS1 ZINC001302783757 1067377078 /nfs/dbraw/zinc/37/70/78/1067377078.db2.gz QKRVRRVRLOSTAW-VXKWHMMOSA-N 1 0 458.676 3.079 20 0 JGADRO Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1Br ZINC001304329027 1067377321 /nfs/dbraw/zinc/37/73/21/1067377321.db2.gz ZXYRXGYRWXXNBS-MJGOQNOKSA-N 1 0 478.435 3.088 20 0 JGADRO Cc1ccc(-c2nnc(N3CCOCC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC001304328817 1067377340 /nfs/dbraw/zinc/37/73/40/1067377340.db2.gz XQTWBGGRJWUZEX-LJQANCHMSA-N 1 0 478.435 3.209 20 0 JGADRO Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC001304331649 1067379151 /nfs/dbraw/zinc/37/91/51/1067379151.db2.gz AXKGJMHWHJKZKN-NRFANRHFSA-N 1 0 488.702 3.142 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001302789044 1067380579 /nfs/dbraw/zinc/38/05/79/1067380579.db2.gz OLKDMUKLMFLKPO-KNQAVFIVSA-N 1 0 484.428 3.092 20 0 JGADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001304334544 1067381186 /nfs/dbraw/zinc/38/11/86/1067381186.db2.gz ZHBUOVRLRNWIQI-JBACZVJFSA-N 1 0 486.642 3.434 20 0 JGADRO Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)o1 ZINC001304337269 1067382929 /nfs/dbraw/zinc/38/29/29/1067382929.db2.gz VCGXQBKDHXSZMK-HXUWFJFHSA-N 1 0 479.629 3.165 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC001304339517 1067384917 /nfs/dbraw/zinc/38/49/17/1067384917.db2.gz ZHIWVPPSSXQNRO-UZLBHIALSA-N 1 0 494.662 3.337 20 0 JGADRO CSCCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001302795572 1067385798 /nfs/dbraw/zinc/38/57/98/1067385798.db2.gz TYDSPEPHMCSSOP-UHFFFAOYSA-N 1 0 456.660 3.368 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC001304346296 1067388652 /nfs/dbraw/zinc/38/86/52/1067388652.db2.gz NLEDAEAZOABAER-BOCKYXSRSA-N 1 0 463.648 3.229 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC001304346297 1067388866 /nfs/dbraw/zinc/38/88/66/1067388866.db2.gz NLEDAEAZOABAER-GEQKSPFYSA-N 1 0 463.648 3.229 20 0 JGADRO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC001304349802 1067391049 /nfs/dbraw/zinc/39/10/49/1067391049.db2.gz JBCDVZACEYIKPA-HXUWFJFHSA-N 1 0 474.675 3.008 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCc2ccccc2)C1)[NH+](C)C ZINC001302802932 1067391411 /nfs/dbraw/zinc/39/14/11/1067391411.db2.gz GZNUKVLSEWULKE-XZOQPEGZSA-N 1 0 468.646 3.286 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1)[NH+](C)C ZINC001302804893 1067392774 /nfs/dbraw/zinc/39/27/74/1067392774.db2.gz VLNGYGMYROQHCO-HSZRJFAPSA-N 1 0 469.678 3.498 20 0 JGADRO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001304351733 1067392881 /nfs/dbraw/zinc/39/28/81/1067392881.db2.gz QBOFOWNFDLJWEI-QUCCMNQESA-N 1 0 488.683 3.017 20 0 JGADRO CC(C)[C@@H]1OCCC[C@H]1Cn1c(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807548 1067395059 /nfs/dbraw/zinc/39/50/59/1067395059.db2.gz RIBXRQSODQYCRT-HJOGWXRNSA-N 1 0 490.737 3.258 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)[NH+](C)C ZINC001302807661 1067395437 /nfs/dbraw/zinc/39/54/37/1067395437.db2.gz HSGSADYQAPCBJN-BHIFYINESA-N 1 0 489.686 3.188 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC[C@H]21)[NH+](C)C ZINC001302808204 1067396188 /nfs/dbraw/zinc/39/61/88/1067396188.db2.gz NKWJQADMVLONND-KCZVDYSFSA-N 1 0 474.675 3.160 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001302809117 1067397407 /nfs/dbraw/zinc/39/74/07/1067397407.db2.gz UNLHYFUXOJVRGE-KNQAVFIVSA-N 1 0 474.675 3.158 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001302810625 1067398794 /nfs/dbraw/zinc/39/87/94/1067398794.db2.gz AWYHLQOCKPTHIC-SFHVURJKSA-N 1 0 481.567 3.211 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1)[NH+](C)C ZINC001302812540 1067399688 /nfs/dbraw/zinc/39/96/88/1067399688.db2.gz QQPPNYSDBSXOSQ-OAQYLSRUSA-N 1 0 452.582 3.177 20 0 JGADRO CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001302814617 1067401354 /nfs/dbraw/zinc/40/13/54/1067401354.db2.gz XXSQTNOFCCFXSM-TYPHKJRUSA-N 1 0 456.660 3.472 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(N)=O)CC1)[NH+](C)C ZINC001302816252 1067402933 /nfs/dbraw/zinc/40/29/33/1067402933.db2.gz FZOIILBARLFDDR-FQEVSTJZSA-N 1 0 465.602 3.278 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001302816407 1067403147 /nfs/dbraw/zinc/40/31/47/1067403147.db2.gz GUCUYEGWVQONTM-ICSRJNTNSA-N 1 0 474.654 3.101 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302816702 1067403748 /nfs/dbraw/zinc/40/37/48/1067403748.db2.gz AZEOBYWPXPDTCX-SFTDATJTSA-N 1 0 471.650 3.344 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ncccc2F)CC1)[NH+](C)C ZINC001302816606 1067403770 /nfs/dbraw/zinc/40/37/70/1067403770.db2.gz AARZWZGSTOKHJZ-LEWJYISDSA-N 1 0 473.641 3.399 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ncccc2F)CC1)[NH+](C)C ZINC001302816607 1067403777 /nfs/dbraw/zinc/40/37/77/1067403777.db2.gz AARZWZGSTOKHJZ-NHCUHLMSSA-N 1 0 473.641 3.399 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302816698 1067403793 /nfs/dbraw/zinc/40/37/93/1067403793.db2.gz AZEOBYWPXPDTCX-NHCUHLMSSA-N 1 0 471.650 3.344 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2ncccc2F)CC1)[NH+](C)C ZINC001302816608 1067403798 /nfs/dbraw/zinc/40/37/98/1067403798.db2.gz AARZWZGSTOKHJZ-RTWAWAEBSA-N 1 0 473.641 3.399 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2[C@H]1C)[NH+](C)C ZINC001302817050 1067404198 /nfs/dbraw/zinc/40/41/98/1067404198.db2.gz CILINBNYTZCWSL-HMXCVIKNSA-N 1 0 459.660 3.280 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)[NH+](C)C ZINC001302817836 1067405104 /nfs/dbraw/zinc/40/51/04/1067405104.db2.gz GLZOBWSSQDYHAK-PKTZIBPZSA-N 1 0 477.661 3.135 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)[NH+](C)C ZINC001302817838 1067405120 /nfs/dbraw/zinc/40/51/20/1067405120.db2.gz GLZOBWSSQDYHAK-XZOQPEGZSA-N 1 0 477.661 3.135 20 0 JGADRO CSCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001302817639 1067405163 /nfs/dbraw/zinc/40/51/63/1067405163.db2.gz FYKWIXIHCQBAMF-OALUTQOASA-N 1 0 477.748 3.382 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001302818684 1067406684 /nfs/dbraw/zinc/40/66/84/1067406684.db2.gz JQGQRRITRZFTAC-MQSCRBSSSA-N 1 0 491.677 3.365 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)C)n3CC[NH+]3CCSCC3)CC2)cc1 ZINC001304367380 1067407111 /nfs/dbraw/zinc/40/71/11/1067407111.db2.gz NNAMNUQMCQWANF-UHFFFAOYSA-N 1 0 470.687 3.292 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1)[NH+](C)C ZINC001302820376 1067407850 /nfs/dbraw/zinc/40/78/50/1067407850.db2.gz PGWGGCKNRLYLPY-HSZRJFAPSA-N 1 0 467.662 3.222 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCc2ccccc2)C1)[NH+](C)C ZINC001302820552 1067408427 /nfs/dbraw/zinc/40/84/27/1067408427.db2.gz UPYHYJBHSYROJE-FSSWDIPSSA-N 1 0 454.619 3.001 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001302821350 1067409712 /nfs/dbraw/zinc/40/97/12/1067409712.db2.gz WZJODKHYAGHFMD-QRVBRYPASA-N 1 0 472.638 3.096 20 0 JGADRO CC(C)C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)[NH+](C)C ZINC001302821516 1067410045 /nfs/dbraw/zinc/41/00/45/1067410045.db2.gz ILRKWDVUIWJGAG-YADHBBJMSA-N 1 0 454.619 3.071 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1)[NH+](C)C ZINC001302821467 1067410130 /nfs/dbraw/zinc/41/01/30/1067410130.db2.gz WOZRALSQVOZDPU-JOCHJYFZSA-N 1 0 466.609 3.101 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC001304373419 1067411175 /nfs/dbraw/zinc/41/11/75/1067411175.db2.gz VCGTVTSVSFYTOV-QFIPXVFZSA-N 1 0 467.662 3.316 20 0 JGADRO CC(C)C[C@H](Cn1c(N2CC[C@@H]3OCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001302822579 1067411518 /nfs/dbraw/zinc/41/15/18/1067411518.db2.gz NPEADTSLCUJVLF-APDHKMKFSA-N 1 0 463.667 3.300 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001302822876 1067411925 /nfs/dbraw/zinc/41/19/25/1067411925.db2.gz PFXHHMDOROJMLR-KIFXHHALSA-N 1 0 488.652 3.129 20 0 JGADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001302822959 1067411938 /nfs/dbraw/zinc/41/19/38/1067411938.db2.gz QLKHFJXKWAIGOY-MJGOQNOKSA-N 1 0 463.026 3.154 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001302822913 1067411978 /nfs/dbraw/zinc/41/19/78/1067411978.db2.gz PWQUPYPSGAHSTP-CTNGQTDRSA-N 1 0 458.676 3.402 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302823783 1067412524 /nfs/dbraw/zinc/41/25/24/1067412524.db2.gz USFLAFDVXOGDAJ-FCHUYYIVSA-N 1 0 486.686 3.271 20 0 JGADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@H](c2ccccc2)C1)[NH+](C)C ZINC001302824108 1067412814 /nfs/dbraw/zinc/41/28/14/1067412814.db2.gz XJOKHHYYYNNMMF-GOTSBHOMSA-N 1 0 468.646 3.345 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)[NH+](C)C ZINC001302824649 1067413778 /nfs/dbraw/zinc/41/37/78/1067413778.db2.gz PSSWHRRIYZNBAY-FCHUYYIVSA-N 1 0 472.609 3.094 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+](C)C ZINC001302824770 1067413841 /nfs/dbraw/zinc/41/38/41/1067413841.db2.gz SUMPEUPJIUZXJO-IYWMVGAKSA-N 1 0 471.712 3.042 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001304375206 1067414718 /nfs/dbraw/zinc/41/47/18/1067414718.db2.gz HURWGCUKEQDMSH-VXKWHMMOSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304375869 1067416223 /nfs/dbraw/zinc/41/62/23/1067416223.db2.gz RADPNPJHDUSSIS-QFIPXVFZSA-N 1 0 497.688 3.476 20 0 JGADRO CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001302826796 1067416741 /nfs/dbraw/zinc/41/67/41/1067416741.db2.gz LUVCPUHNAZACAK-HDICACEKSA-N 1 0 452.669 3.332 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001302827556 1067417689 /nfs/dbraw/zinc/41/76/89/1067417689.db2.gz BPINGNCEPHYSAZ-GHTZIAJQSA-N 1 0 474.675 3.338 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001302828222 1067418097 /nfs/dbraw/zinc/41/80/97/1067418097.db2.gz HDWWSAADTCVCNQ-OALUTQOASA-N 1 0 462.664 3.046 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001304376835 1067418962 /nfs/dbraw/zinc/41/89/62/1067418962.db2.gz BFQXHPHIJDFHHL-NRFANRHFSA-N 1 0 478.645 3.290 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001304377684 1067420344 /nfs/dbraw/zinc/42/03/44/1067420344.db2.gz KRGAWKZAOCSNNX-AREMUKBSSA-N 1 0 481.645 3.113 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302834699 1067421833 /nfs/dbraw/zinc/42/18/33/1067421833.db2.gz CTSPUJZIASZRLT-NHCUHLMSSA-N 1 0 454.667 3.492 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1O ZINC001302837788 1067423989 /nfs/dbraw/zinc/42/39/89/1067423989.db2.gz CNEJVBHZJJZRMI-FYINFDKHSA-N 1 0 480.476 3.352 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCOC(C)C)cc1C ZINC001304379549 1067424791 /nfs/dbraw/zinc/42/47/91/1067424791.db2.gz JXQKMGIYWWMNAD-UHFFFAOYSA-N 1 0 484.645 3.121 20 0 JGADRO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[NH+]2CCCC2)C[C@@H]1O ZINC001302838545 1067424889 /nfs/dbraw/zinc/42/48/89/1067424889.db2.gz VDDAFMCWJINYCO-CTNGQTDRSA-N 1 0 476.666 3.086 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCOC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC001304379728 1067425793 /nfs/dbraw/zinc/42/57/93/1067425793.db2.gz SOYQZWAXFCLKEJ-AVRDEDQJSA-N 1 0 454.619 3.494 20 0 JGADRO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[NH+]1CCSCC1 ZINC001302839167 1067425830 /nfs/dbraw/zinc/42/58/30/1067425830.db2.gz ANZPGQVVZROAOT-HXUWFJFHSA-N 1 0 478.732 3.097 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)cc1C ZINC001304381552 1067429706 /nfs/dbraw/zinc/42/97/06/1067429706.db2.gz AATCMIBAOTUWSU-LVXARBLLSA-N 1 0 468.646 3.476 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)F)C3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304382144 1067430205 /nfs/dbraw/zinc/43/02/05/1067430205.db2.gz JLYYVMABBXPXFQ-IBGZPJMESA-N 1 0 490.599 3.476 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001302846341 1067432123 /nfs/dbraw/zinc/43/21/23/1067432123.db2.gz IJJPDLYRRCCAIR-UHFFFAOYSA-N 1 0 489.686 3.162 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1C ZINC001304383379 1067432422 /nfs/dbraw/zinc/43/24/22/1067432422.db2.gz KSCVMFQIKIQEJP-GOSISDBHSA-N 1 0 475.588 3.017 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302847659 1067433118 /nfs/dbraw/zinc/43/31/18/1067433118.db2.gz MZPBVTFGQAYSAA-UHFFFAOYSA-N 1 0 471.572 3.101 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302847964 1067433555 /nfs/dbraw/zinc/43/35/55/1067433555.db2.gz BIYCKEKIYCIDJV-UHFFFAOYSA-N 1 0 486.690 3.097 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CCOC(C)C)CC3)n2CC[NH+]2CCCCC2)cc1C ZINC001304384027 1067433911 /nfs/dbraw/zinc/43/39/11/1067433911.db2.gz NVQCDEXNESWXQJ-UHFFFAOYSA-N 1 0 497.688 3.180 20 0 JGADRO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC001302849459 1067434561 /nfs/dbraw/zinc/43/45/61/1067434561.db2.gz MZNYVWJKOHSKTJ-HSZRJFAPSA-N 1 0 457.640 3.485 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001304384910 1067436577 /nfs/dbraw/zinc/43/65/77/1067436577.db2.gz VSAYJWCZZNZMDJ-RTWAWAEBSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001304384908 1067436600 /nfs/dbraw/zinc/43/66/00/1067436600.db2.gz VSAYJWCZZNZMDJ-NHCUHLMSSA-N 1 0 481.645 3.113 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001302852600 1067437195 /nfs/dbraw/zinc/43/71/95/1067437195.db2.gz LAPPMBAKFHGUAC-GOSISDBHSA-N 1 0 459.639 3.317 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC(=O)N(C)C)cc1C ZINC001304385643 1067438504 /nfs/dbraw/zinc/43/85/04/1067438504.db2.gz ZWMHMAUYCWOAIH-QFIPXVFZSA-N 1 0 495.672 3.184 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1C ZINC001304385650 1067438518 /nfs/dbraw/zinc/43/85/18/1067438518.db2.gz ZYNLLBQDIFWQSI-DHGLHQTCSA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304385997 1067439098 /nfs/dbraw/zinc/43/90/98/1067439098.db2.gz CEKSPRUGKCMERN-CTNGQTDRSA-N 1 0 454.619 3.493 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC001302856596 1067439480 /nfs/dbraw/zinc/43/94/80/1067439480.db2.gz TTYSRUVPMIYQJN-OLMNPRSZSA-N 1 0 468.499 3.135 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[NH+]3CCOCC3)C2)nc1 ZINC001304386205 1067439977 /nfs/dbraw/zinc/43/99/77/1067439977.db2.gz AYTFEJCRVVTQGV-NRFANRHFSA-N 1 0 483.661 3.247 20 0 JGADRO CC(C)Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302856878 1067440041 /nfs/dbraw/zinc/44/00/41/1067440041.db2.gz DEFSQBZQNHDAOK-JOCHJYFZSA-N 1 0 460.642 3.466 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC2([NH+](C)C)CCCC2)CCN1C(=O)OC(C)(C)C ZINC001302858021 1067440981 /nfs/dbraw/zinc/44/09/81/1067440981.db2.gz ALDZTDLCBBLJSK-RTBURBONSA-N 1 0 462.639 3.102 20 0 JGADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001302860471 1067442716 /nfs/dbraw/zinc/44/27/16/1067442716.db2.gz NUOLIHOWQVXNJT-ATZDWAIDSA-N 1 0 482.526 3.477 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)(F)F ZINC001302866367 1067447299 /nfs/dbraw/zinc/44/72/99/1067447299.db2.gz MGQHTCQJNQAAOK-QGZVFWFLSA-N 1 0 497.612 3.083 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(Cc4ccsc4)n3C[C@H](C)[NH+](C)C)CC2)nc1 ZINC001304388863 1067447602 /nfs/dbraw/zinc/44/76/02/1067447602.db2.gz HDFOOQUBLYKXTN-SFHVURJKSA-N 1 0 467.643 3.439 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(-c4cnn(C)c4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)nc1 ZINC001304389340 1067448499 /nfs/dbraw/zinc/44/84/99/1067448499.db2.gz LEHSWOGQBPQGNV-JOCHJYFZSA-N 1 0 493.660 3.213 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC[NH+]1CCSCC1 ZINC001302871372 1067452727 /nfs/dbraw/zinc/45/27/27/1067452727.db2.gz BMXWHNYOEVJTFG-FQEVSTJZSA-N 1 0 462.708 3.000 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001302872902 1067456009 /nfs/dbraw/zinc/45/60/09/1067456009.db2.gz OKVXIKLZPDZLSM-IRLDBZIGSA-N 1 0 484.645 3.060 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1Cc1ccncc1Cl ZINC001302878234 1067460086 /nfs/dbraw/zinc/46/00/86/1067460086.db2.gz YWLCIIVDMHLBIC-UHFFFAOYSA-N 1 0 488.080 3.392 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302877253 1067460124 /nfs/dbraw/zinc/46/01/24/1067460124.db2.gz VOKGLMMQFVKUET-KRWDZBQOSA-N 1 0 458.573 3.246 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001302879839 1067461545 /nfs/dbraw/zinc/46/15/45/1067461545.db2.gz NOEOERFMZYUNJB-NRFANRHFSA-N 1 0 464.614 3.396 20 0 JGADRO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1CC[NH+]1CCSCC1 ZINC001304400861 1067463754 /nfs/dbraw/zinc/46/37/54/1067463754.db2.gz VDDXKIOYZRBQKC-UHFFFAOYSA-N 1 0 456.616 3.456 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccnc3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001302883352 1067465343 /nfs/dbraw/zinc/46/53/43/1067465343.db2.gz TYAACHOJQRULMY-SFHVURJKSA-N 1 0 457.623 3.374 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304403808 1067466302 /nfs/dbraw/zinc/46/63/02/1067466302.db2.gz LRNJAIGIIBRQAE-FUPPJEDESA-N 1 0 457.619 3.280 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1C ZINC001304405758 1067469216 /nfs/dbraw/zinc/46/92/16/1067469216.db2.gz MSMVHUZCZRNPGZ-OAQYLSRUSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304405794 1067469259 /nfs/dbraw/zinc/46/92/59/1067469259.db2.gz MWOYBLNWXVKBHF-FCHUYYIVSA-N 1 0 471.646 3.324 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302890138 1067469525 /nfs/dbraw/zinc/46/95/25/1067469525.db2.gz ACRCOMVVXYEJBX-HBMCJLEFSA-N 1 0 476.666 3.492 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001304407213 1067472034 /nfs/dbraw/zinc/47/20/34/1067472034.db2.gz YUCHPYIWRUAHSM-FPOVZHCZSA-N 1 0 466.586 3.037 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001304407224 1067472045 /nfs/dbraw/zinc/47/20/45/1067472045.db2.gz YYMRTCXOBYZVPR-FGZHOGPDSA-N 1 0 468.646 3.200 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001302894460 1067475426 /nfs/dbraw/zinc/47/54/26/1067475426.db2.gz KKCFCYRKQBTEEV-OAQYLSRUSA-N 1 0 459.660 3.155 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001302894686 1067475450 /nfs/dbraw/zinc/47/54/50/1067475450.db2.gz PMYJQLLGBTXBSL-IBGZPJMESA-N 1 0 471.650 3.297 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001304410874 1067477631 /nfs/dbraw/zinc/47/76/31/1067477631.db2.gz MIPCGUOZYADSBA-RBBKRZOGSA-N 1 0 477.675 3.074 20 0 JGADRO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001302896557 1067477821 /nfs/dbraw/zinc/47/78/21/1067477821.db2.gz JZXFMRYBVIXDBQ-UHFFFAOYSA-N 1 0 459.683 3.373 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001304411026 1067478261 /nfs/dbraw/zinc/47/82/61/1067478261.db2.gz NYLWTEVPDWCTNL-OAQYLSRUSA-N 1 0 468.646 3.391 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001304411328 1067479201 /nfs/dbraw/zinc/47/92/01/1067479201.db2.gz BXKNTMLNFCKUOW-VWLOTQADSA-N 1 0 454.619 3.063 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304411611 1067479541 /nfs/dbraw/zinc/47/95/41/1067479541.db2.gz URQRTLQJBODNTN-GOTSBHOMSA-N 1 0 489.686 3.218 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001304411877 1067480129 /nfs/dbraw/zinc/48/01/29/1067480129.db2.gz IAPNAPMHLBDLCJ-NRFANRHFSA-N 1 0 489.686 3.443 20 0 JGADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H](C)C1(F)F ZINC001302898887 1067480853 /nfs/dbraw/zinc/48/08/53/1067480853.db2.gz NSVREAVKOYSYPB-IXDOHACOSA-N 1 0 450.534 3.024 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001302900382 1067482979 /nfs/dbraw/zinc/48/29/79/1067482979.db2.gz VHXZDLYNFPFKKA-QFIPXVFZSA-N 1 0 491.725 3.338 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001304415543 1067486138 /nfs/dbraw/zinc/48/61/38/1067486138.db2.gz QYGQEQUCXNGMFD-UHFFFAOYSA-N 1 0 483.661 3.280 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@@H]4CCCOC4)n3CCCOC(F)(F)F)CC2)C[C@H](C)O1 ZINC001302902236 1067486989 /nfs/dbraw/zinc/48/69/89/1067486989.db2.gz ZMVIAIOAHAOWSN-WSTZPKSXSA-N 1 0 489.583 3.424 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304417451 1067489689 /nfs/dbraw/zinc/48/96/89/1067489689.db2.gz XTTPKFAJFIQIFK-LJQANCHMSA-N 1 0 468.568 3.498 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2(C)COCCO2)cc1C ZINC001304417224 1067489694 /nfs/dbraw/zinc/48/96/94/1067489694.db2.gz WNFHNYYEOCYKQA-VWLOTQADSA-N 1 0 457.619 3.200 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cnccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H](C)O1 ZINC001302905404 1067490382 /nfs/dbraw/zinc/49/03/82/1067490382.db2.gz NWBULTVLRPFDHM-SELNLUPBSA-N 1 0 499.063 3.237 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304417893 1067490686 /nfs/dbraw/zinc/49/06/86/1067490686.db2.gz GLPGLKPVOYVTFK-GOSISDBHSA-N 1 0 494.562 3.155 20 0 JGADRO Cc1nc([C@@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCC[N@@H+](C)C(C)C)CCO2)no1 ZINC001304418520 1067492658 /nfs/dbraw/zinc/49/26/58/1067492658.db2.gz BYXLFMCKRQATPU-NRFANRHFSA-N 1 0 469.590 3.165 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(c4ncccn4)CC3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001304419106 1067493609 /nfs/dbraw/zinc/49/36/09/1067493609.db2.gz XDDGHPLVGCNOBZ-UHFFFAOYSA-N 1 0 478.645 3.178 20 0 JGADRO Cc1nccn1CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001304419650 1067494022 /nfs/dbraw/zinc/49/40/22/1067494022.db2.gz ORLOWFCFEILVFF-UHFFFAOYSA-N 1 0 451.619 3.457 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCOC2CCOCC2)cc1 ZINC001304419566 1067494489 /nfs/dbraw/zinc/49/44/89/1067494489.db2.gz YUNCCRWKHCOSRU-UHFFFAOYSA-N 1 0 457.619 3.282 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001304420598 1067495893 /nfs/dbraw/zinc/49/58/93/1067495893.db2.gz MPKBYGHHFFWXSF-SANMLTNESA-N 1 0 481.645 3.239 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(Br)cc2)n1CCOCC[NH+](C)C ZINC001302914032 1067498589 /nfs/dbraw/zinc/49/85/89/1067498589.db2.gz JDTVQWBCCVKCKI-KRWDZBQOSA-N 1 0 496.450 3.202 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](c4nnc(C(C)C)o4)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001304422679 1067499039 /nfs/dbraw/zinc/49/90/39/1067499039.db2.gz XGFMYBXBNCUEMC-AZUAARDMSA-N 1 0 469.590 3.200 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001302915683 1067499470 /nfs/dbraw/zinc/49/94/70/1067499470.db2.gz TZVQHGNPFLYEFK-FPOVZHCZSA-N 1 0 457.619 3.165 20 0 JGADRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001302916751 1067500012 /nfs/dbraw/zinc/50/00/12/1067500012.db2.gz QOPJTIQPWKFLKQ-UHFFFAOYSA-N 1 0 457.596 3.070 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302918947 1067500999 /nfs/dbraw/zinc/50/09/99/1067500999.db2.gz IEAKCAXWLWDEAJ-YPAWHYETSA-N 1 0 465.708 3.392 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001304424202 1067501170 /nfs/dbraw/zinc/50/11/70/1067501170.db2.gz DFHCZCTVNBWJSH-QFIPXVFZSA-N 1 0 483.661 3.230 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302920318 1067501324 /nfs/dbraw/zinc/50/13/24/1067501324.db2.gz SJJHZUDYGICBRJ-HBMCJLEFSA-N 1 0 451.681 3.002 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302921110 1067502117 /nfs/dbraw/zinc/50/21/17/1067502117.db2.gz VXCUNOXRKASPNZ-PUHATCMVSA-N 1 0 452.647 3.479 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1C ZINC001304425464 1067503025 /nfs/dbraw/zinc/50/30/25/1067503025.db2.gz PZAFLVLVPBUPHS-OAQYLSRUSA-N 1 0 468.627 3.165 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001302923255 1067503426 /nfs/dbraw/zinc/50/34/26/1067503426.db2.gz OKZCDQDIJBUONX-JOCHJYFZSA-N 1 0 456.610 3.039 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001302923437 1067503479 /nfs/dbraw/zinc/50/34/79/1067503479.db2.gz QCTBPBPBDSUMRX-NRFANRHFSA-N 1 0 474.694 3.253 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001304426209 1067504010 /nfs/dbraw/zinc/50/40/10/1067504010.db2.gz YRCPMTKAAPUZGV-OAQYLSRUSA-N 1 0 454.619 3.065 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001304427473 1067504478 /nfs/dbraw/zinc/50/44/78/1067504478.db2.gz FGLOHSWCEBVSBQ-SFTDATJTSA-N 1 0 481.645 3.390 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001302928264 1067505960 /nfs/dbraw/zinc/50/59/60/1067505960.db2.gz DMFQQUHXBUPWSK-QHCPKHFHSA-N 1 0 473.687 3.402 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(Cc3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001304429246 1067506608 /nfs/dbraw/zinc/50/66/08/1067506608.db2.gz OQKWAXWMAQOOAO-UHFFFAOYSA-N 1 0 478.641 3.323 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001304429567 1067506838 /nfs/dbraw/zinc/50/68/38/1067506838.db2.gz QUALIODSFLSCPI-JTHBVZDNSA-N 1 0 489.686 3.124 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001304429822 1067507320 /nfs/dbraw/zinc/50/73/20/1067507320.db2.gz WKWIXUBLOLJKJE-UHFFFAOYSA-N 1 0 464.614 3.319 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001302933608 1067508627 /nfs/dbraw/zinc/50/86/27/1067508627.db2.gz NEQJWURJDGOWTE-UHFFFAOYSA-N 1 0 472.653 3.485 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304430923 1067508630 /nfs/dbraw/zinc/50/86/30/1067508630.db2.gz HTORBFFAHMSIQF-UHFFFAOYSA-N 1 0 467.643 3.416 20 0 JGADRO CC(C)Cc1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302937063 1067510353 /nfs/dbraw/zinc/51/03/53/1067510353.db2.gz HYWREIKTLPNODG-ZEQRLZLVSA-N 1 0 482.673 3.387 20 0 JGADRO FC(F)(F)CN1CCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001302937416 1067510905 /nfs/dbraw/zinc/51/09/05/1067510905.db2.gz NHTPJYZQKBHUHY-UHFFFAOYSA-N 1 0 462.564 3.400 20 0 JGADRO FC(F)(F)CO[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2CCCC2)C1 ZINC001302937741 1067511080 /nfs/dbraw/zinc/51/10/80/1067511080.db2.gz OJSJBTHWUGUKCU-IBGZPJMESA-N 1 0 452.525 3.298 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001302939929 1067513705 /nfs/dbraw/zinc/51/37/05/1067513705.db2.gz QEGOXURVLASAQC-QFIPXVFZSA-N 1 0 468.646 3.265 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCC(=O)N(C)C)cc1 ZINC001304434682 1067513782 /nfs/dbraw/zinc/51/37/82/1067513782.db2.gz RMYHBPLXEZJPHV-FQEVSTJZSA-N 1 0 456.660 3.422 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302939882 1067513878 /nfs/dbraw/zinc/51/38/78/1067513878.db2.gz NUUDXXJEBIOSNK-UHFFFAOYSA-N 1 0 468.646 3.409 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001304436557 1067514996 /nfs/dbraw/zinc/51/49/96/1067514996.db2.gz FBUISMDFJMDMEN-UHFFFAOYSA-N 1 0 479.654 3.199 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001304436742 1067515267 /nfs/dbraw/zinc/51/52/67/1067515267.db2.gz AOKDKWAVFMLAMM-HXUWFJFHSA-N 1 0 456.660 3.457 20 0 JGADRO FC(F)(F)CSCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001302941590 1067515617 /nfs/dbraw/zinc/51/56/17/1067515617.db2.gz NXTAOZHUHLNEIO-QGZVFWFLSA-N 1 0 463.570 3.116 20 0 JGADRO FC(F)(F)CSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302941967 1067515829 /nfs/dbraw/zinc/51/58/29/1067515829.db2.gz UOLGVKYBFKGOIO-QZTJIDSGSA-N 1 0 477.597 3.364 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC2CCOCC2)CC1 ZINC001302941979 1067515845 /nfs/dbraw/zinc/51/58/45/1067515845.db2.gz VAKRDOZPLFFPFC-UHFFFAOYSA-N 1 0 482.551 3.248 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@H]4OCCC[C@H]4C3)n2CCOCC[NH+](C)C)cc1 ZINC001304436989 1067516016 /nfs/dbraw/zinc/51/60/16/1067516016.db2.gz FBUYICOMPRTFSI-RBBKRZOGSA-N 1 0 459.660 3.462 20 0 JGADRO F[C@H]1C[C@H](CCn2c([C@@H]3CCOC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001302942161 1067515962 /nfs/dbraw/zinc/51/59/62/1067515962.db2.gz XKWNBBXQHRMXTJ-KZNAEPCWSA-N 1 0 463.520 3.011 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001304438168 1067517956 /nfs/dbraw/zinc/51/79/56/1067517956.db2.gz VYEMMIXKBHSXOB-ICSRJNTNSA-N 1 0 468.627 3.442 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302945147 1067517993 /nfs/dbraw/zinc/51/79/93/1067517993.db2.gz FCXNZCDFAVLTFE-XMMPIXPASA-N 1 0 498.672 3.292 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1ccccc1OC(C)C ZINC001302945278 1067518165 /nfs/dbraw/zinc/51/81/65/1067518165.db2.gz ZLTCDARQTTZXFV-JOCHJYFZSA-N 1 0 468.646 3.055 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2(C)COCCO2)cc1 ZINC001304438509 1067518258 /nfs/dbraw/zinc/51/82/58/1067518258.db2.gz XVKIXBVKCRWFQW-DEOSSOPVSA-N 1 0 459.660 3.462 20 0 JGADRO FC(F)C(F)(F)COCCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302945627 1067518721 /nfs/dbraw/zinc/51/87/21/1067518721.db2.gz SASHIBVNESTFRC-MRXNPFEDSA-N 1 0 463.520 3.011 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001302946305 1067519435 /nfs/dbraw/zinc/51/94/35/1067519435.db2.gz BCPGDRAJXHEGJW-FQEVSTJZSA-N 1 0 456.639 3.128 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001304439146 1067519783 /nfs/dbraw/zinc/51/97/83/1067519783.db2.gz RVOJZAHSLKUZCQ-UHFFFAOYSA-N 1 0 494.731 3.127 20 0 JGADRO Cc1ccc(SCCn2c(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)nnc2C(C)(C)C)cc1 ZINC001304440319 1067520750 /nfs/dbraw/zinc/52/07/50/1067520750.db2.gz DDPWAHYCENCZSW-NRFANRHFSA-N 1 0 470.687 3.419 20 0 JGADRO FC(F)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001302947965 1067521550 /nfs/dbraw/zinc/52/15/50/1067521550.db2.gz LZOIEPUQAUYUPQ-UHFFFAOYSA-N 1 0 450.965 3.171 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304441442 1067522282 /nfs/dbraw/zinc/52/22/82/1067522282.db2.gz VFTTYGVZVLXIAK-OAQYLSRUSA-N 1 0 469.659 3.321 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001304442621 1067524111 /nfs/dbraw/zinc/52/41/11/1067524111.db2.gz JOEZSAOWKVAGFY-OALUTQOASA-N 1 0 460.648 3.013 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCNc1nccc(C(F)(F)F)n1 ZINC001302956756 1067528505 /nfs/dbraw/zinc/52/85/05/1067528505.db2.gz IWWWCFXPKPPLTM-QGZVFWFLSA-N 1 0 496.582 3.087 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001302958475 1067529704 /nfs/dbraw/zinc/52/97/04/1067529704.db2.gz CZDNXLQUQADXRN-UHFFFAOYSA-N 1 0 474.694 3.064 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302959227 1067531022 /nfs/dbraw/zinc/53/10/22/1067531022.db2.gz RHWWPIMKFAIBOZ-QHCPKHFHSA-N 1 0 481.689 3.358 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001302961701 1067532780 /nfs/dbraw/zinc/53/27/80/1067532780.db2.gz QHOBGBFVJGGIDA-HSZRJFAPSA-N 1 0 498.672 3.199 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2CCC[NH+]2CCCCC2)n1 ZINC001304452078 1067532835 /nfs/dbraw/zinc/53/28/35/1067532835.db2.gz RMJBOZUWEMZHMI-HXUWFJFHSA-N 1 0 497.669 3.369 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCOC1CCCCCC1 ZINC001302964116 1067534467 /nfs/dbraw/zinc/53/44/67/1067534467.db2.gz BCYCJXLIEDECAM-VWLOTQADSA-N 1 0 490.737 3.447 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CCn2ccnc2C1 ZINC001302965460 1067535954 /nfs/dbraw/zinc/53/59/54/1067535954.db2.gz DPCZGTXOYKYPJR-IBGZPJMESA-N 1 0 483.583 3.027 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001302966183 1067536207 /nfs/dbraw/zinc/53/62/07/1067536207.db2.gz OFIDFIOKQMORNC-ILBGXUMGSA-N 1 0 468.690 3.403 20 0 JGADRO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001302966285 1067536230 /nfs/dbraw/zinc/53/62/30/1067536230.db2.gz PSWNMEGRDORGAN-JQVVWYNYSA-N 1 0 494.731 3.091 20 0 JGADRO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001302966286 1067536842 /nfs/dbraw/zinc/53/68/42/1067536842.db2.gz PSWNMEGRDORGAN-NNMXDRDESA-N 1 0 494.731 3.091 20 0 JGADRO Cc1ncc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC001304457018 1067537358 /nfs/dbraw/zinc/53/73/58/1067537358.db2.gz RYTYQWBJFBAISQ-LJQANCHMSA-N 1 0 455.632 3.407 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3cscn3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001304456773 1067537447 /nfs/dbraw/zinc/53/74/47/1067537447.db2.gz MVHZVPKMVICIEB-UHFFFAOYSA-N 1 0 454.648 3.015 20 0 JGADRO Fc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC[NH+]2CCCC2)cc1 ZINC001302968552 1067537598 /nfs/dbraw/zinc/53/75/98/1067537598.db2.gz FSZVSIVUEPNSRM-UHFFFAOYSA-N 1 0 470.515 3.166 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001304458193 1067538308 /nfs/dbraw/zinc/53/83/08/1067538308.db2.gz LGUNCYWMWIZRQO-UHFFFAOYSA-N 1 0 494.640 3.473 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)n1 ZINC001304459145 1067538632 /nfs/dbraw/zinc/53/86/32/1067538632.db2.gz DZWKMLMYEWDHQH-RZUBCFFCSA-N 1 0 467.618 3.090 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)n1 ZINC001304459146 1067538881 /nfs/dbraw/zinc/53/88/81/1067538881.db2.gz DZWKMLMYEWDHQH-VWPQPMDRSA-N 1 0 467.618 3.090 20 0 JGADRO Fc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCCOC(F)(F)F ZINC001302970402 1067539043 /nfs/dbraw/zinc/53/90/43/1067539043.db2.gz LPKGEJXIVKPXQL-SFHVURJKSA-N 1 0 485.526 3.483 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302971677 1067539697 /nfs/dbraw/zinc/53/96/97/1067539697.db2.gz GMWAJCAJGNRMAW-NLFFAJNJSA-N 1 0 462.683 3.061 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001302972540 1067540143 /nfs/dbraw/zinc/54/01/43/1067540143.db2.gz POANNPBLCZSFHF-CPJSRVTESA-N 1 0 457.667 3.473 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001304463003 1067541431 /nfs/dbraw/zinc/54/14/31/1067541431.db2.gz DDOLNNAMQSFORG-SFHVURJKSA-N 1 0 450.509 3.337 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302975448 1067541679 /nfs/dbraw/zinc/54/16/79/1067541679.db2.gz KJQHJIFHUMBCIN-CQOQZXRMSA-N 1 0 455.647 3.424 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3F)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302975551 1067542031 /nfs/dbraw/zinc/54/20/31/1067542031.db2.gz LMLPSVJIQLHUGG-DEOSSOPVSA-N 1 0 472.653 3.467 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)c4ccc(O)cc4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001304464348 1067542387 /nfs/dbraw/zinc/54/23/87/1067542387.db2.gz FJMFDYBVWUIFNE-UHFFFAOYSA-N 1 0 478.597 3.032 20 0 JGADRO Fc1ccccc1OCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@H+]1CC=CCC1 ZINC001302976743 1067542625 /nfs/dbraw/zinc/54/26/25/1067542625.db2.gz FMSUFTRONYBUAL-SFHVURJKSA-N 1 0 455.456 3.026 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001302977046 1067542754 /nfs/dbraw/zinc/54/27/54/1067542754.db2.gz TXIRLFWTPSMDKF-OAQYLSRUSA-N 1 0 463.573 3.444 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](COC(C)C)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001302977063 1067542803 /nfs/dbraw/zinc/54/28/03/1067542803.db2.gz QFZCVYDMTILAKN-RUZDIDTESA-N 1 0 485.673 3.112 20 0 JGADRO Fc1ccccc1Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCCOC(F)(F)F ZINC001302977448 1067543118 /nfs/dbraw/zinc/54/31/18/1067543118.db2.gz KQIVOPNDQJKGKM-QGZVFWFLSA-N 1 0 471.499 3.093 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304465093 1067543158 /nfs/dbraw/zinc/54/31/58/1067543158.db2.gz MUBHTEHPZZEIBE-HFSMHLIXSA-N 1 0 469.634 3.482 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304465369 1067543588 /nfs/dbraw/zinc/54/35/88/1067543588.db2.gz LTIKSHHQPHWSOX-INIZCTEOSA-N 1 0 450.509 3.481 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001304466599 1067545242 /nfs/dbraw/zinc/54/52/42/1067545242.db2.gz ZZJTUFKPAJUNMO-MRXNPFEDSA-N 1 0 452.525 3.396 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(n4ccc(C(F)(F)F)n4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001304468303 1067546848 /nfs/dbraw/zinc/54/68/48/1067546848.db2.gz APPQIFBLRZXRDV-UHFFFAOYSA-N 1 0 492.550 3.284 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC001304469860 1067549317 /nfs/dbraw/zinc/54/93/17/1067549317.db2.gz ZZNXLRWUSGAEBR-SANMLTNESA-N 1 0 461.614 3.239 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304472914 1067551211 /nfs/dbraw/zinc/55/12/11/1067551211.db2.gz AJGONGYQSRLDDC-FCHUYYIVSA-N 1 0 453.635 3.216 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001304473682 1067552016 /nfs/dbraw/zinc/55/20/16/1067552016.db2.gz SQPBDKSYRWFXNJ-YADHBBJMSA-N 1 0 497.688 3.281 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001302991224 1067552655 /nfs/dbraw/zinc/55/26/55/1067552655.db2.gz OJUCMTASULWIOV-ZJOUEHCJSA-N 1 0 468.712 3.271 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304474823 1067552935 /nfs/dbraw/zinc/55/29/35/1067552935.db2.gz LSIVCWFTLWYFHL-JTHBVZDNSA-N 1 0 456.635 3.257 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)N4CCCCC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304477446 1067555506 /nfs/dbraw/zinc/55/55/06/1067555506.db2.gz IXCFJDHCQCTBEU-JOCHJYFZSA-N 1 0 482.677 3.353 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001304478091 1067556383 /nfs/dbraw/zinc/55/63/83/1067556383.db2.gz QPTGDOUXESTEGU-SFTDATJTSA-N 1 0 467.662 3.321 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001302998805 1067556988 /nfs/dbraw/zinc/55/69/88/1067556988.db2.gz SCDIQUWWPXKZEL-UNMCSNQZSA-N 1 0 489.686 3.068 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCO[C@@H](C)C3)n2Cc2ccccc2OCC[NH+](C)C)n1 ZINC001304478265 1067557014 /nfs/dbraw/zinc/55/70/14/1067557014.db2.gz BEGFPNWORJBWEE-FQEVSTJZSA-N 1 0 450.587 3.252 20 0 JGADRO CC(C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001302998803 1067557133 /nfs/dbraw/zinc/55/71/33/1067557133.db2.gz SCDIQUWWPXKZEL-IRLDBZIGSA-N 1 0 489.686 3.068 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+](C)Cc2ccccc2)n1 ZINC001304479267 1067558213 /nfs/dbraw/zinc/55/82/13/1067558213.db2.gz VOPFJMPICAONSQ-UHFFFAOYSA-N 1 0 461.614 3.085 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCN(c4ncccc4F)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304479604 1067558979 /nfs/dbraw/zinc/55/89/79/1067558979.db2.gz XVVQXVKLLKSJFU-UHFFFAOYSA-N 1 0 466.609 3.487 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001304480042 1067559649 /nfs/dbraw/zinc/55/96/49/1067559649.db2.gz ICGSTLWKRDDUPG-PZJWPPBQSA-N 1 0 499.660 3.110 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[C@@](C)(O)c2ccccc2)n1 ZINC001304480098 1067559732 /nfs/dbraw/zinc/55/97/32/1067559732.db2.gz IVRNXLAFNUDAPR-HHHXNRCGSA-N 1 0 478.641 3.493 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@H](c4noc(C(C)C)n4)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304481892 1067561198 /nfs/dbraw/zinc/56/11/98/1067561198.db2.gz HVSDBDQNDQVRQM-FQEVSTJZSA-N 1 0 468.606 3.463 20 0 JGADRO Cc1cccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001304484211 1067563678 /nfs/dbraw/zinc/56/36/78/1067563678.db2.gz UJVDZLCFZSVWHE-LQWHRVPQSA-N 1 0 460.648 3.021 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@@H](c4nnc(C(C)C)o4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304484506 1067563988 /nfs/dbraw/zinc/56/39/88/1067563988.db2.gz TYWAKZAPZBDOII-LJQANCHMSA-N 1 0 454.579 3.073 20 0 JGADRO Cc1cccc([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3C[C@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001304487309 1067565964 /nfs/dbraw/zinc/56/59/64/1067565964.db2.gz LLXINFGDBCPSOG-ZLNRFVROSA-N 1 0 473.687 3.459 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001303015543 1067570004 /nfs/dbraw/zinc/57/00/04/1067570004.db2.gz HYTPMTHNWIAARX-MUUNZHRXSA-N 1 0 497.732 3.446 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303016279 1067570584 /nfs/dbraw/zinc/57/05/84/1067570584.db2.gz XCWJFDVZBITGER-PXDATVDWSA-N 1 0 460.667 3.119 20 0 JGADRO Cc1cccc(CCn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC001304494498 1067571374 /nfs/dbraw/zinc/57/13/74/1067571374.db2.gz RPIMXOWSAOUOQF-NRFANRHFSA-N 1 0 481.563 3.424 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2CC[NH+](C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303020723 1067572826 /nfs/dbraw/zinc/57/28/26/1067572826.db2.gz FXRNVBZCOSDWPQ-ZEQRLZLVSA-N 1 0 451.656 3.036 20 0 JGADRO NC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[NH+]2CCCC2)C1 ZINC001303022068 1067573856 /nfs/dbraw/zinc/57/38/56/1067573856.db2.gz IBURUGAEJQRQSK-OAHLLOKOSA-N 1 0 479.398 3.034 20 0 JGADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001304498880 1067574140 /nfs/dbraw/zinc/57/41/40/1067574140.db2.gz ZUMSYIXXEWIXLY-PZJWPPBQSA-N 1 0 467.662 3.084 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@]2([NH+](C)C)CCSC2)cnn1C ZINC001304499862 1067574798 /nfs/dbraw/zinc/57/47/98/1067574798.db2.gz GFYLOLYKIFJKEB-XMMPIXPASA-N 1 0 469.659 3.281 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC001304500032 1067574804 /nfs/dbraw/zinc/57/48/04/1067574804.db2.gz GZGQPBCQKQDQID-HXUWFJFHSA-N 1 0 477.613 3.218 20 0 JGADRO Cc1cccc(NC2CCN(c3nnc(CN4CCCC4=O)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001304500667 1067575555 /nfs/dbraw/zinc/57/55/55/1067575555.db2.gz OVCUKCIHUALSIH-UHFFFAOYSA-N 1 0 467.662 3.378 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303023347 1067575810 /nfs/dbraw/zinc/57/58/10/1067575810.db2.gz WCAJNPSIGVEPDG-QKYMMTCKSA-N 1 0 463.667 3.179 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)Cc3nc4ccsc4c(=O)[nH]3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304502011 1067576459 /nfs/dbraw/zinc/57/64/59/1067576459.db2.gz JYQCLUNECAJCHJ-INIZCTEOSA-N 1 0 467.599 3.462 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001304502392 1067576699 /nfs/dbraw/zinc/57/66/99/1067576699.db2.gz HYQNPRQEUAQJDW-FQEVSTJZSA-N 1 0 475.659 3.053 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001304507140 1067580879 /nfs/dbraw/zinc/58/08/79/1067580879.db2.gz MJVSVJZLWXZBDR-UHFFFAOYSA-N 1 0 497.562 3.170 20 0 JGADRO NC(=O)[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001303035849 1067582078 /nfs/dbraw/zinc/58/20/78/1067582078.db2.gz NHJLNFQWXXNVHP-QGZVFWFLSA-N 1 0 463.051 3.411 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(N4CCCCC4=O)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304508441 1067582457 /nfs/dbraw/zinc/58/24/57/1067582457.db2.gz YWIJAYYAZQMUPK-FQEVSTJZSA-N 1 0 454.619 3.097 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304508745 1067582935 /nfs/dbraw/zinc/58/29/35/1067582935.db2.gz AKVRDIMETUNMDL-WOJBJXKFSA-N 1 0 456.635 3.247 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304508742 1067582942 /nfs/dbraw/zinc/58/29/42/1067582942.db2.gz AKVRDIMETUNMDL-UXHICEINSA-N 1 0 456.635 3.247 20 0 JGADRO NC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001303040490 1067585538 /nfs/dbraw/zinc/58/55/38/1067585538.db2.gz YRHKVTGSVBFTPZ-IBGZPJMESA-N 1 0 493.027 3.066 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001304510931 1067585805 /nfs/dbraw/zinc/58/58/05/1067585805.db2.gz XVBMTVFDKKNKCN-JOCHJYFZSA-N 1 0 468.646 3.379 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304512165 1067588582 /nfs/dbraw/zinc/58/85/82/1067588582.db2.gz MBZRELANKKPEAV-QGZVFWFLSA-N 1 0 472.531 3.138 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCc2cnn(C)c2)c1 ZINC001304512187 1067588616 /nfs/dbraw/zinc/58/86/16/1067588616.db2.gz MJFUWVFZWQKIEA-UHFFFAOYSA-N 1 0 451.619 3.310 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001304512651 1067589656 /nfs/dbraw/zinc/58/96/56/1067589656.db2.gz RUHIHAZGAFBYEY-QFIPXVFZSA-N 1 0 468.646 3.202 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001303050176 1067590846 /nfs/dbraw/zinc/59/08/46/1067590846.db2.gz WOARSKYLHSWXDP-PMACEKPBSA-N 1 0 481.645 3.174 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001304514981 1067591649 /nfs/dbraw/zinc/59/16/49/1067591649.db2.gz LRFSDQYOVAIZCT-IRLDBZIGSA-N 1 0 470.618 3.219 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001304515046 1067591988 /nfs/dbraw/zinc/59/19/88/1067591988.db2.gz MOERYAVZUWWXEO-NRFANRHFSA-N 1 0 459.660 3.389 20 0 JGADRO Cc1cccc2c1CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC[N@@H+]1CCC[C@@H](C)C1)C2 ZINC001304516926 1067592782 /nfs/dbraw/zinc/59/27/82/1067592782.db2.gz RLSIUWGLKVXFEV-CTNGQTDRSA-N 1 0 488.702 3.272 20 0 JGADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304519977 1067595583 /nfs/dbraw/zinc/59/55/83/1067595583.db2.gz OJNIHIKMPUZPSM-OAQYLSRUSA-N 1 0 464.662 3.458 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCC[NH+]1CCC(O)CC1 ZINC001304522933 1067597473 /nfs/dbraw/zinc/59/74/73/1067597473.db2.gz ZLAPLWXBHLUBBW-UHFFFAOYSA-N 1 0 491.562 3.489 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001304523540 1067597901 /nfs/dbraw/zinc/59/79/01/1067597901.db2.gz KTAKJGFZKXQWGZ-KRWDZBQOSA-N 1 0 458.561 3.478 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304523594 1067597932 /nfs/dbraw/zinc/59/79/32/1067597932.db2.gz MJNGSUZZLMZPRF-JOCHJYFZSA-N 1 0 476.601 3.184 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001304530637 1067602187 /nfs/dbraw/zinc/60/21/87/1067602187.db2.gz XZMHNDKDJGWQMJ-GOSISDBHSA-N 1 0 464.536 3.244 20 0 JGADRO CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001303067933 1067602647 /nfs/dbraw/zinc/60/26/47/1067602647.db2.gz JTANDBWRUBDKCM-DENIHFKCSA-N 1 0 472.609 3.346 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001304535086 1067605360 /nfs/dbraw/zinc/60/53/60/1067605360.db2.gz RPNMNYMOCRWJIT-QFIPXVFZSA-N 1 0 488.702 3.093 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304534941 1067605406 /nfs/dbraw/zinc/60/54/06/1067605406.db2.gz KGJKLEANZYCVIQ-HXUWFJFHSA-N 1 0 488.702 3.236 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001304535266 1067605799 /nfs/dbraw/zinc/60/57/99/1067605799.db2.gz OUFZBEAICORJLG-NRFANRHFSA-N 1 0 480.579 3.437 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001304535803 1067606149 /nfs/dbraw/zinc/60/61/49/1067606149.db2.gz SIOKJIMQBRRBOI-UHFFFAOYSA-N 1 0 468.646 3.059 20 0 JGADRO O=C(Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)NCC(F)F ZINC001303071959 1067606589 /nfs/dbraw/zinc/60/65/89/1067606589.db2.gz WIJWLYUQAPCRJE-KRWDZBQOSA-N 1 0 497.388 3.154 20 0 JGADRO O=C(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCC2)CC1)NCC(F)F ZINC001303072255 1067606865 /nfs/dbraw/zinc/60/68/65/1067606865.db2.gz ZWWVKFNQMYGMDV-UHFFFAOYSA-N 1 0 470.927 3.184 20 0 JGADRO O=C(Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1)NCC(F)(F)F ZINC001303073384 1067607592 /nfs/dbraw/zinc/60/75/92/1067607592.db2.gz KFKSKDHAPGDTEU-UHFFFAOYSA-N 1 0 496.553 3.389 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304536928 1067608225 /nfs/dbraw/zinc/60/82/25/1067608225.db2.gz JCGRAGZRBLVKAE-UHFFFAOYSA-N 1 0 480.579 3.173 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001304537162 1067608813 /nfs/dbraw/zinc/60/88/13/1067608813.db2.gz NJPNIKOPQYMYKA-JOCHJYFZSA-N 1 0 495.697 3.265 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001304537651 1067609408 /nfs/dbraw/zinc/60/94/08/1067609408.db2.gz ODSVVHHOHTWPHH-RTWAWAEBSA-N 1 0 484.645 3.468 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001304538199 1067609780 /nfs/dbraw/zinc/60/97/80/1067609780.db2.gz FUDQXEBKIWDAHB-RBBKRZOGSA-N 1 0 484.645 3.324 20 0 JGADRO Cc1ccccc1[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001304542538 1067613290 /nfs/dbraw/zinc/61/32/90/1067613290.db2.gz PSDHNCNOYFAHOO-NZQKXSOJSA-N 1 0 468.646 3.425 20 0 JGADRO Cc1ccccc1[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001304542543 1067613312 /nfs/dbraw/zinc/61/33/12/1067613312.db2.gz PSDHNCNOYFAHOO-REWPJTCUSA-N 1 0 468.646 3.425 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)C)n2CCC[NH+]2CCCCC2)CC1 ZINC001304543880 1067614425 /nfs/dbraw/zinc/61/44/25/1067614425.db2.gz QUTATJXBDGVMNI-UHFFFAOYSA-N 1 0 452.647 3.477 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC[N@H+]1CC=CCC1 ZINC001304546959 1067615952 /nfs/dbraw/zinc/61/59/52/1067615952.db2.gz LDGAHHHLTFLRSK-UHFFFAOYSA-N 1 0 466.674 3.234 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCc2cnccn2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304548049 1067616748 /nfs/dbraw/zinc/61/67/48/1067616748.db2.gz LSNLRFBHNMFNJB-SZPZYZBQSA-N 1 0 463.630 3.146 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1CC1([NH+](C)C)CCC1 ZINC001304548753 1067617633 /nfs/dbraw/zinc/61/76/33/1067617633.db2.gz ZMCMSOWKDFSMTH-UHFFFAOYSA-N 1 0 458.561 3.155 20 0 JGADRO CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001303085955 1067618954 /nfs/dbraw/zinc/61/89/54/1067618954.db2.gz BXTYLWNMZGTLGJ-NJYVYQBISA-N 1 0 476.666 3.253 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCCC(=O)N(C)C ZINC001304549964 1067619240 /nfs/dbraw/zinc/61/92/40/1067619240.db2.gz DIHLDVJHXMAUHW-JOCHJYFZSA-N 1 0 452.647 3.358 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCS(C)(=O)=O ZINC001304551058 1067620382 /nfs/dbraw/zinc/62/03/82/1067620382.db2.gz OPEKEEGZWGXPNJ-UHFFFAOYSA-N 1 0 473.687 3.314 20 0 JGADRO O=C(NCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303088737 1067623594 /nfs/dbraw/zinc/62/35/94/1067623594.db2.gz BSICSAOPACFKAP-UHFFFAOYSA-N 1 0 499.969 3.374 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304554354 1067623647 /nfs/dbraw/zinc/62/36/47/1067623647.db2.gz WQGYWTHHSKDOSU-RUZDIDTESA-N 1 0 496.700 3.229 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001304556877 1067625637 /nfs/dbraw/zinc/62/56/37/1067625637.db2.gz NNVUKJQPMVMAEU-RRPUWOKSSA-N 1 0 473.687 3.311 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304556876 1067625684 /nfs/dbraw/zinc/62/56/84/1067625684.db2.gz NNVUKJQPMVMAEU-NWSQWKLXSA-N 1 0 473.687 3.311 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001304557155 1067626075 /nfs/dbraw/zinc/62/60/75/1067626075.db2.gz PWMGBPWHLLBWDY-QFIPXVFZSA-N 1 0 473.687 3.455 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001303090747 1067627484 /nfs/dbraw/zinc/62/74/84/1067627484.db2.gz BZSLZOGXWYIELB-UHFFFAOYSA-N 1 0 467.662 3.114 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001303091183 1067627835 /nfs/dbraw/zinc/62/78/35/1067627835.db2.gz PCPWWIRYYRUQSS-QFIPXVFZSA-N 1 0 470.637 3.468 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCNC(=O)C(C)C ZINC001304559347 1067628240 /nfs/dbraw/zinc/62/82/40/1067628240.db2.gz JUFOJDCHVONJAX-FQEVSTJZSA-N 1 0 452.647 3.260 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001304559107 1067628362 /nfs/dbraw/zinc/62/83/62/1067628362.db2.gz IDOOIROKXCIMKI-JOCHJYFZSA-N 1 0 473.687 3.455 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304560278 1067629889 /nfs/dbraw/zinc/62/98/89/1067629889.db2.gz GIZQGMFSMNGDSL-BWKNWUBXSA-N 1 0 454.619 3.185 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[S@](=O)C(C)(C)C ZINC001304560523 1067629916 /nfs/dbraw/zinc/62/99/16/1067629916.db2.gz SVLJBDMQDSWTBM-IFXFPORBSA-N 1 0 487.714 3.414 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001303094757 1067631453 /nfs/dbraw/zinc/63/14/53/1067631453.db2.gz JCROWFLJVBDYKO-NLFFAJNJSA-N 1 0 486.686 3.119 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCC(=O)N(C)C ZINC001304561827 1067631970 /nfs/dbraw/zinc/63/19/70/1067631970.db2.gz QADPZHMZAAYHLZ-UHFFFAOYSA-N 1 0 452.647 3.358 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001304562720 1067632993 /nfs/dbraw/zinc/63/29/93/1067632993.db2.gz XXDHZVQEPHYRRS-FQEVSTJZSA-N 1 0 458.557 3.460 20 0 JGADRO Cc1ccccc1CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304567302 1067635650 /nfs/dbraw/zinc/63/56/50/1067635650.db2.gz HGDSLVIGRWWEQA-OYRHEFFESA-N 1 0 468.646 3.233 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001303099851 1067637805 /nfs/dbraw/zinc/63/78/05/1067637805.db2.gz BEGGZKNJGBVXAY-RTWAWAEBSA-N 1 0 468.646 3.427 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[NH+]2CCCC2)cc1 ZINC001303099811 1067637830 /nfs/dbraw/zinc/63/78/30/1067637830.db2.gz AVNPBZJMIKJJKR-HSZRJFAPSA-N 1 0 489.686 3.479 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CC(=O)N(C)C)cc1 ZINC001303099901 1067637842 /nfs/dbraw/zinc/63/78/42/1067637842.db2.gz BRJOHZMYPVMHDR-NRFANRHFSA-N 1 0 454.619 3.133 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCSC2)CC1 ZINC001304570038 1067637888 /nfs/dbraw/zinc/63/78/88/1067637888.db2.gz HWWRABUDLRSDIU-HXUWFJFHSA-N 1 0 456.660 3.190 20 0 JGADRO Cc1ccccc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001304570603 1067638346 /nfs/dbraw/zinc/63/83/46/1067638346.db2.gz FRHKVWVBOQPQIX-QFIPXVFZSA-N 1 0 467.662 3.373 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001304571020 1067639050 /nfs/dbraw/zinc/63/90/50/1067639050.db2.gz VAGMXXNIRGSVPH-JOCHJYFZSA-N 1 0 468.646 3.455 20 0 JGADRO Cc1ccccc1N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304571400 1067639925 /nfs/dbraw/zinc/63/99/25/1067639925.db2.gz MEQKJQZNVNOYGR-UHFFFAOYSA-N 1 0 495.697 3.492 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC(=O)NC(C)C)cc1 ZINC001303103106 1067641665 /nfs/dbraw/zinc/64/16/65/1067641665.db2.gz UCQZWTMPCOKEKX-UHFFFAOYSA-N 1 0 498.672 3.196 20 0 JGADRO Cc1ccccc1OCCCN(C)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304573305 1067641812 /nfs/dbraw/zinc/64/18/12/1067641812.db2.gz NKPADAQLOUMMPY-XMMPIXPASA-N 1 0 455.628 3.211 20 0 JGADRO Cc1ccccc1OCCCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001304575054 1067643843 /nfs/dbraw/zinc/64/38/43/1067643843.db2.gz MXKSSSYNACQQFY-UHFFFAOYSA-N 1 0 454.619 3.099 20 0 JGADRO Cc1ccccc1O[C@@H](C)Cn1c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C ZINC001304575273 1067643856 /nfs/dbraw/zinc/64/38/56/1067643856.db2.gz YUQSZCNTKFQEQR-LEWJYISDSA-N 1 0 468.646 3.094 20 0 JGADRO C[C@H]1CN(C(=O)c2cn3cc(CNC(=O)OC(C)(C)C)ccc3n2)CCN1c1cc[nH+]cc1 ZINC001303110934 1067649555 /nfs/dbraw/zinc/64/95/55/1067649555.db2.gz GTMLQBVVLQVLAC-KRWDZBQOSA-N 1 0 450.543 3.105 20 0 JGADRO CCOC(=O)c1csc(CC2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001303115493 1067652665 /nfs/dbraw/zinc/65/26/65/1067652665.db2.gz MGWAIHGIOGMSKW-HXUWFJFHSA-N 1 0 456.612 3.408 20 0 JGADRO CC(C)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001303119592 1067658531 /nfs/dbraw/zinc/65/85/31/1067658531.db2.gz KTVZQLACEWJLTG-UHFFFAOYSA-N 1 0 459.610 3.372 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC=C(C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304596623 1067660169 /nfs/dbraw/zinc/66/01/69/1067660169.db2.gz FEHNXRWSSIAREQ-HSZRJFAPSA-N 1 0 450.631 3.276 20 0 JGADRO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3ccccc3)[NH+](C)C)C2)c1 ZINC001304598795 1067662211 /nfs/dbraw/zinc/66/22/11/1067662211.db2.gz HYXXUJTXSCBFDO-VXKWHMMOSA-N 1 0 464.618 3.066 20 0 JGADRO Cc1cnn(C[C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@@H+](C(C)C)C3)CCO2)c1 ZINC001304600339 1067663997 /nfs/dbraw/zinc/66/39/97/1067663997.db2.gz BGFRJHRKNJQELU-FGZHOGPDSA-N 1 0 457.667 3.397 20 0 JGADRO 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ZINC001303268206 1067795906 /nfs/dbraw/zinc/79/59/06/1067795906.db2.gz CJYDSLBURWBKSW-UHFFFAOYSA-N 1 0 454.619 3.150 20 0 JGADRO Cc1nn(C)c(C)c1Cn1c(Cc2cccnc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001304724788 1067796555 /nfs/dbraw/zinc/79/65/55/1067796555.db2.gz OPDLEDMBXVUFKP-UHFFFAOYSA-N 1 0 450.635 3.219 20 0 JGADRO Cc1nn(C)c(C)c1Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304724633 1067796637 /nfs/dbraw/zinc/79/66/37/1067796637.db2.gz KRPLPCHIURDRRV-UHFFFAOYSA-N 1 0 450.635 3.221 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001303268642 1067796744 /nfs/dbraw/zinc/79/67/44/1067796744.db2.gz RNAQOWZDAGOYJR-JOCHJYFZSA-N 1 0 454.619 3.099 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001303268643 1067796790 /nfs/dbraw/zinc/79/67/90/1067796790.db2.gz RNAQOWZDAGOYJR-QFIPXVFZSA-N 1 0 454.619 3.099 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(COc2ccccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001303268756 1067796814 /nfs/dbraw/zinc/79/68/14/1067796814.db2.gz LZOFWSSXSPYMTR-RUZDIDTESA-N 1 0 485.608 3.212 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303268928 1067797267 /nfs/dbraw/zinc/79/72/67/1067797267.db2.gz UKXAOLLSDGTLOA-UHFFFAOYSA-N 1 0 457.623 3.051 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2cccc(Br)c2C1 ZINC001303268883 1067797424 /nfs/dbraw/zinc/79/74/24/1067797424.db2.gz OSYVMFDTMPSYOA-UHFFFAOYSA-N 1 0 475.435 3.180 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1COc2ccccc2O1 ZINC001303268885 1067797472 /nfs/dbraw/zinc/79/74/72/1067797472.db2.gz SCJFHJXQCKAAFX-NRFANRHFSA-N 1 0 450.587 3.270 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001304725634 1067797587 /nfs/dbraw/zinc/79/75/87/1067797587.db2.gz NDKUBSZLOQVQDM-FQEVSTJZSA-N 1 0 470.710 3.370 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001303269277 1067797794 /nfs/dbraw/zinc/79/77/94/1067797794.db2.gz WOCABPZJMQRSQV-GHTZIAJQSA-N 1 0 463.648 3.461 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001303269446 1067798366 /nfs/dbraw/zinc/79/83/66/1067798366.db2.gz YSJNHWKFTZMOKY-HSZRJFAPSA-N 1 0 486.636 3.280 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN(c2cccnn2)CC1 ZINC001303269988 1067798671 /nfs/dbraw/zinc/79/86/71/1067798671.db2.gz DFTFMNGCQVEDBB-UHFFFAOYSA-N 1 0 491.463 3.226 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)[NH+](C)C)CC1 ZINC001304726129 1067798670 /nfs/dbraw/zinc/79/86/70/1067798670.db2.gz VPXDUJOUKNQQDP-GHTZIAJQSA-N 1 0 498.651 3.180 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001303270400 1067799188 /nfs/dbraw/zinc/79/91/88/1067799188.db2.gz KAYWXSSNRGRWIB-QGZVFWFLSA-N 1 0 456.591 3.465 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001303271651 1067800782 /nfs/dbraw/zinc/80/07/82/1067800782.db2.gz QLVLQKYBRUGUEY-NRFANRHFSA-N 1 0 464.408 3.044 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001303272038 1067801019 /nfs/dbraw/zinc/80/10/19/1067801019.db2.gz XTCKYHWZJKCPNT-ROUUACIJSA-N 1 0 460.648 3.035 20 0 JGADRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273179 1067801767 /nfs/dbraw/zinc/80/17/67/1067801767.db2.gz IDBQNHGEBMCLKG-HOTGVXAUSA-N 1 0 458.282 3.357 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001303275601 1067802827 /nfs/dbraw/zinc/80/28/27/1067802827.db2.gz FESQXXUGPBXBJK-GOSISDBHSA-N 1 0 459.982 3.154 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001303275441 1067802956 /nfs/dbraw/zinc/80/29/56/1067802956.db2.gz WUCQJEGXJYFJAD-FQEVSTJZSA-N 1 0 461.973 3.389 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cnccn1 ZINC001303276039 1067803295 /nfs/dbraw/zinc/80/32/95/1067803295.db2.gz IMFDINQQYGVXJW-UHFFFAOYSA-N 1 0 472.638 3.159 20 0 JGADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001304731155 1067803875 /nfs/dbraw/zinc/80/38/75/1067803875.db2.gz CCJMPBFDGLNHCY-FCHUYYIVSA-N 1 0 470.666 3.145 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001303277603 1067805138 /nfs/dbraw/zinc/80/51/38/1067805138.db2.gz SDBSGVGWLREGOX-UHFFFAOYSA-N 1 0 467.662 3.269 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2Br)C1 ZINC001303277943 1067805234 /nfs/dbraw/zinc/80/52/34/1067805234.db2.gz XCBJFAOZTBXDOY-YLJYHZDGSA-N 1 0 478.435 3.463 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001303278424 1067806284 /nfs/dbraw/zinc/80/62/84/1067806284.db2.gz DCBTYMBVWUJQCC-VQTJNVASSA-N 1 0 474.675 3.253 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303278477 1067806642 /nfs/dbraw/zinc/80/66/42/1067806642.db2.gz GJCCIIKKZCDKFP-INIZCTEOSA-N 1 0 451.040 3.266 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001303278904 1067807790 /nfs/dbraw/zinc/80/77/90/1067807790.db2.gz UPSBHFMLIWOEHT-UHFFFAOYSA-N 1 0 490.052 3.189 20 0 JGADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303279756 1067808416 /nfs/dbraw/zinc/80/84/16/1067808416.db2.gz DTQKOGOAAYIFPN-DEOSSOPVSA-N 1 0 474.650 3.392 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CCOc4ccccc4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001304734883 1067809179 /nfs/dbraw/zinc/80/91/79/1067809179.db2.gz DXRFLHJRUBEJQV-JOCHJYFZSA-N 1 0 466.634 3.290 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CCCc4ccccc4)n3C[C@H](C)[NH+](C)C)C2)n1 ZINC001304737126 1067811145 /nfs/dbraw/zinc/81/11/45/1067811145.db2.gz OZKRAXFNEZXFEC-WMZHIEFXSA-N 1 0 450.635 3.453 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C)s3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001304739639 1067813747 /nfs/dbraw/zinc/81/37/47/1067813747.db2.gz HBTIATIXKCOFMT-UHFFFAOYSA-N 1 0 471.675 3.381 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCCN(c4cccnn4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304740700 1067815980 /nfs/dbraw/zinc/81/59/80/1067815980.db2.gz QZBYPCHNOXNIDY-DHIUTWEWSA-N 1 0 494.692 3.011 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCCN(c4cccnn4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304740701 1067815989 /nfs/dbraw/zinc/81/59/89/1067815989.db2.gz QZBYPCHNOXNIDY-GOTSBHOMSA-N 1 0 494.692 3.011 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C ZINC001303291581 1067816178 /nfs/dbraw/zinc/81/61/78/1067816178.db2.gz KQJSJYPBKZGVSH-FQEVSTJZSA-N 1 0 458.582 3.158 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)C(C)C ZINC001303291571 1067816363 /nfs/dbraw/zinc/81/63/63/1067816363.db2.gz KEDRNXMRAMQKCW-XZOQPEGZSA-N 1 0 456.635 3.157 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC001304741066 1067816605 /nfs/dbraw/zinc/81/66/05/1067816605.db2.gz PCZHAODVDQSJQR-NRFANRHFSA-N 1 0 491.562 3.143 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)CC1)C(C)C ZINC001303291959 1067816980 /nfs/dbraw/zinc/81/69/80/1067816980.db2.gz PXVQDBGQVOIFFV-JOCHJYFZSA-N 1 0 494.750 3.144 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)C(C)C ZINC001303292135 1067817005 /nfs/dbraw/zinc/81/70/05/1067817005.db2.gz VBFWWWLKTBYOLI-OFVILXPXSA-N 1 0 456.635 3.157 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccnn2)CC1)C(C)C ZINC001303292126 1067817092 /nfs/dbraw/zinc/81/70/92/1067817092.db2.gz UWPNWKZULVRJAJ-NRFANRHFSA-N 1 0 456.639 3.145 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001303291919 1067817230 /nfs/dbraw/zinc/81/72/30/1067817230.db2.gz PCHKGPJZNSAPCQ-RTWAWAEBSA-N 1 0 469.696 3.085 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)C(C)C ZINC001303295688 1067819709 /nfs/dbraw/zinc/81/97/09/1067819709.db2.gz HGVJQPGUWCVBOY-UHFFFAOYSA-N 1 0 484.693 3.463 20 0 JGADRO CC(C)[NH+](CCn1c(CCc2ccccc2)nnc1N1CCC2(CNC(=O)C2)CC1)C(C)C ZINC001303296014 1067820205 /nfs/dbraw/zinc/82/02/05/1067820205.db2.gz AMWHRVSVZJYRLM-UHFFFAOYSA-N 1 0 452.647 3.289 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC[NH+]2CCCCC2)n1 ZINC001304743051 1067820450 /nfs/dbraw/zinc/82/04/50/1067820450.db2.gz NVUZQXXKOZDCAM-UHFFFAOYSA-N 1 0 460.030 3.039 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)C(C)C ZINC001303296923 1067820886 /nfs/dbraw/zinc/82/08/86/1067820886.db2.gz MXBRNMXSGWBLFY-PMACEKPBSA-N 1 0 463.529 3.380 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C)C(C)C ZINC001303296883 1067820972 /nfs/dbraw/zinc/82/09/72/1067820972.db2.gz MKLAKLGRDHINPT-OAQYLSRUSA-N 1 0 472.634 3.260 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1)C(C)C ZINC001303296935 1067821019 /nfs/dbraw/zinc/82/10/19/1067821019.db2.gz MYWIDZLKWKLPOZ-HSZRJFAPSA-N 1 0 494.750 3.001 20 0 JGADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)C(C)C ZINC001303297157 1067821538 /nfs/dbraw/zinc/82/15/38/1067821538.db2.gz OOOOZEWOAPSSER-JOCHJYFZSA-N 1 0 480.723 3.134 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)F)CC1)C(C)C ZINC001303297653 1067821772 /nfs/dbraw/zinc/82/17/72/1067821772.db2.gz TVRMNKNZQPERMM-UHFFFAOYSA-N 1 0 492.594 3.320 20 0 JGADRO CC(C)[NH+](CCn1c(N2CCS(=O)(=O)CC2)nnc1C1(c2ccccc2)CCC1)C(C)C ZINC001303298220 1067822543 /nfs/dbraw/zinc/82/25/43/1067822543.db2.gz QDZYMCKQOFFREK-UHFFFAOYSA-N 1 0 459.660 3.102 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001304744516 1067822561 /nfs/dbraw/zinc/82/25/61/1067822561.db2.gz WTXIJFLTHKJVFG-SIKLNZKXSA-N 1 0 455.582 3.054 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1)C(C)C ZINC001303298116 1067822648 /nfs/dbraw/zinc/82/26/48/1067822648.db2.gz ONSIOQFEZDLIAA-DHIUTWEWSA-N 1 0 486.709 3.376 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCCCC[C@@H]21)C(C)C ZINC001303298252 1067822700 /nfs/dbraw/zinc/82/27/00/1067822700.db2.gz JVQFWMDYKWHABD-HBMCJLEFSA-N 1 0 451.681 3.458 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCC(F)F)CC1 ZINC001303298764 1067823555 /nfs/dbraw/zinc/82/35/55/1067823555.db2.gz VVCLFHFFFCOIMA-UHFFFAOYSA-N 1 0 489.409 3.373 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCCc3ccccc3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304744793 1067823752 /nfs/dbraw/zinc/82/37/52/1067823752.db2.gz CXGKPYLDECTQRG-UHFFFAOYSA-N 1 0 465.646 3.320 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001303299664 1067823946 /nfs/dbraw/zinc/82/39/46/1067823946.db2.gz WZHGELLFBWXGRE-WOJBJXKFSA-N 1 0 464.655 3.394 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)C(C)C ZINC001303299326 1067824065 /nfs/dbraw/zinc/82/40/65/1067824065.db2.gz SBUGJRWYVMQCPQ-QFIPXVFZSA-N 1 0 487.693 3.013 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCN(C)c3ccccc3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304745402 1067824737 /nfs/dbraw/zinc/82/47/37/1067824737.db2.gz PWDNPLKBYGZGSC-OAQYLSRUSA-N 1 0 450.635 3.197 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCOC3)nnc2N(C)CCOCc2ccccc2)CC1 ZINC001303301285 1067825334 /nfs/dbraw/zinc/82/53/34/1067825334.db2.gz GAHKETUUVCYVAC-QHCPKHFHSA-N 1 0 471.646 3.060 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001303301333 1067825654 /nfs/dbraw/zinc/82/56/54/1067825654.db2.gz GVPZIYBKUHRPGK-IAGOWNOFSA-N 1 0 454.541 3.154 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccnc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001303301794 1067826106 /nfs/dbraw/zinc/82/61/06/1067826106.db2.gz QOBPDIMEOFJDEE-NRFANRHFSA-N 1 0 456.635 3.359 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001303301669 1067826127 /nfs/dbraw/zinc/82/61/27/1067826127.db2.gz MMMKNOSKMHARRQ-UHFFFAOYSA-N 1 0 461.626 3.495 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CCc3ccccc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001303302243 1067826789 /nfs/dbraw/zinc/82/67/89/1067826789.db2.gz GPVSCSCIOYDNSC-UHFFFAOYSA-N 1 0 485.673 3.134 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCC(F)(F)F)C1 ZINC001303303049 1067828168 /nfs/dbraw/zinc/82/81/68/1067828168.db2.gz RNQFSTDRMATARP-MRXNPFEDSA-N 1 0 453.513 3.434 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N4CCCCC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304748870 1067828794 /nfs/dbraw/zinc/82/87/94/1067828794.db2.gz NLKYSDZQWZGXKX-DEOSSOPVSA-N 1 0 498.720 3.345 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3cccnc3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001303303508 1067829279 /nfs/dbraw/zinc/82/92/79/1067829279.db2.gz WUDULKKKDLVXMG-UHFFFAOYSA-N 1 0 465.429 3.399 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303303939 1067829565 /nfs/dbraw/zinc/82/95/65/1067829565.db2.gz AYFOWQVXQRLUQY-RTWAWAEBSA-N 1 0 451.681 3.145 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C1 ZINC001303304120 1067830384 /nfs/dbraw/zinc/83/03/84/1067830384.db2.gz CIHPOUJTKVNTKH-HXUWFJFHSA-N 1 0 455.582 3.450 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCc2ccccc2)CC1 ZINC001303304009 1067830506 /nfs/dbraw/zinc/83/05/06/1067830506.db2.gz CBTJNPZVKBPBAQ-UHFFFAOYSA-N 1 0 463.586 3.063 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001303304565 1067831100 /nfs/dbraw/zinc/83/11/00/1067831100.db2.gz OCAFSCBOWSZGFC-FHWLQOOXSA-N 1 0 465.639 3.462 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001303304714 1067831963 /nfs/dbraw/zinc/83/19/63/1067831963.db2.gz OPWFYCLUGVBBHF-GJZGRUSLSA-N 1 0 485.580 3.461 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303304639 1067832292 /nfs/dbraw/zinc/83/22/92/1067832292.db2.gz IXEHKJNMMZLFOC-PMACEKPBSA-N 1 0 465.689 3.064 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)CCOc2ccccc2)C1 ZINC001303304947 1067832753 /nfs/dbraw/zinc/83/27/53/1067832753.db2.gz LDWFBOCFRSJIMV-OAQYLSRUSA-N 1 0 454.619 3.036 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303305632 1067833840 /nfs/dbraw/zinc/83/38/40/1067833840.db2.gz VJGOMUDUBGNVCU-IBGZPJMESA-N 1 0 468.067 3.124 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001303307655 1067835800 /nfs/dbraw/zinc/83/58/00/1067835800.db2.gz GOCACTDCSSNQKO-NRFANRHFSA-N 1 0 462.589 3.222 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)c2ccccc2F)CC1 ZINC001303309549 1067837034 /nfs/dbraw/zinc/83/70/34/1067837034.db2.gz CYTHJLBDOUDMDM-UHFFFAOYSA-N 1 0 454.598 3.265 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2CCCN(C)c2ccccc2F)CC1 ZINC001303309885 1067837668 /nfs/dbraw/zinc/83/76/68/1067837668.db2.gz IKKMKNLSMQYXTK-UHFFFAOYSA-N 1 0 452.582 3.321 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCOC[C@H]2C)CC1 ZINC001303310410 1067838299 /nfs/dbraw/zinc/83/82/99/1067838299.db2.gz HWKZZIFEIXGNRK-HXUWFJFHSA-N 1 0 477.053 3.152 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2CCNC(=O)C(C)C)n1 ZINC001304755615 1067838389 /nfs/dbraw/zinc/83/83/89/1067838389.db2.gz DOHFGDQDTNNKGS-QHCPKHFHSA-N 1 0 484.693 3.004 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304755617 1067838436 /nfs/dbraw/zinc/83/84/36/1067838436.db2.gz DOVJJUIBMAGGGA-JYFHCDHNSA-N 1 0 471.694 3.495 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001303310535 1067839027 /nfs/dbraw/zinc/83/90/27/1067839027.db2.gz NNDSVGWUUYUZHQ-OAQYLSRUSA-N 1 0 486.617 3.236 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001304755840 1067839293 /nfs/dbraw/zinc/83/92/93/1067839293.db2.gz HBJKZRZDAWHYSM-ZEQRLZLVSA-N 1 0 498.720 3.249 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001303310837 1067839646 /nfs/dbraw/zinc/83/96/46/1067839646.db2.gz QZXYAQFIQDLNTD-HSALFYBXSA-N 1 0 460.667 3.380 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001303310810 1067839676 /nfs/dbraw/zinc/83/96/76/1067839676.db2.gz QFMGTUTUJIZYND-UHFFFAOYSA-N 1 0 454.619 3.382 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304756397 1067840099 /nfs/dbraw/zinc/84/00/99/1067840099.db2.gz NWSBHXMYJNASKV-HSZRJFAPSA-N 1 0 498.720 3.250 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001303311289 1067840552 /nfs/dbraw/zinc/84/05/52/1067840552.db2.gz YGWLSOMUVBDODR-UHFFFAOYSA-N 1 0 490.534 3.234 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CSCCS2)CC1 ZINC001303311181 1067840577 /nfs/dbraw/zinc/84/05/77/1067840577.db2.gz SRPKKQLLXDJDES-MRXNPFEDSA-N 1 0 485.521 3.425 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001303312321 1067841976 /nfs/dbraw/zinc/84/19/76/1067841976.db2.gz CLDFXFJVPGJMAW-HXUWFJFHSA-N 1 0 484.649 3.445 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCSCCCO)CC1 ZINC001303314518 1067842828 /nfs/dbraw/zinc/84/28/28/1067842828.db2.gz ZWKUNFCRKWFKFA-UHFFFAOYSA-N 1 0 496.722 3.039 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCN(C)c2ccccc2)n1 ZINC001304758713 1067843599 /nfs/dbraw/zinc/84/35/99/1067843599.db2.gz CRSDRWSNUXXSTA-UHFFFAOYSA-N 1 0 450.635 3.197 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)c3ccc(F)cc3)C2)CC1 ZINC001303316789 1067844294 /nfs/dbraw/zinc/84/42/94/1067844294.db2.gz IXUWMAYZGDGSOW-NVQXNPDNSA-N 1 0 472.653 3.227 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCOCC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)n1 ZINC001304759560 1067845147 /nfs/dbraw/zinc/84/51/47/1067845147.db2.gz MJGYTXHREDIKHZ-OAQYLSRUSA-N 1 0 451.619 3.496 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001303317383 1067845925 /nfs/dbraw/zinc/84/59/25/1067845925.db2.gz LSPAZTBOYIVTKQ-UHFFFAOYSA-N 1 0 456.610 3.331 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccs2)CC1 ZINC001303317433 1067846421 /nfs/dbraw/zinc/84/64/21/1067846421.db2.gz NOGIYPYVYAQTEB-IBGZPJMESA-N 1 0 476.647 3.227 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)c2cccs2)CC1 ZINC001303317409 1067846447 /nfs/dbraw/zinc/84/64/47/1067846447.db2.gz MOKBIYUXXHPVDO-UHFFFAOYSA-N 1 0 456.591 3.030 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(=O)N(C)C)CC2)CC1 ZINC001303317538 1067846476 /nfs/dbraw/zinc/84/64/76/1067846476.db2.gz YRWIIQGZOQAIBO-UHFFFAOYSA-N 1 0 495.716 3.326 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccncc4)n3CCSC(F)(F)F)C2)CC1 ZINC001303317933 1067847614 /nfs/dbraw/zinc/84/76/14/1067847614.db2.gz FQVBFMUDICDYQG-LJQANCHMSA-N 1 0 483.608 3.122 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C4CCCC4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001303317940 1067848200 /nfs/dbraw/zinc/84/82/00/1067848200.db2.gz FZGOGWPUNBERMX-IBGZPJMESA-N 1 0 490.590 3.457 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCSC3(C)C)CC2)C1 ZINC001303318156 1067848747 /nfs/dbraw/zinc/84/87/47/1067848747.db2.gz JHOBPTSDGHTJGJ-NHCUHLMSSA-N 1 0 478.751 3.339 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C4CCCC4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303318247 1067849050 /nfs/dbraw/zinc/84/90/50/1067849050.db2.gz MJDHLYKSMAXADK-QFIPXVFZSA-N 1 0 489.709 3.455 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001304762535 1067849650 /nfs/dbraw/zinc/84/96/50/1067849650.db2.gz JWLQNQOJJDRYJE-HXUWFJFHSA-N 1 0 495.525 3.178 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCC(C)(C)C)CC2)CC1 ZINC001303318547 1067850201 /nfs/dbraw/zinc/85/02/01/1067850201.db2.gz UTBLWALBPYRIHK-NRFANRHFSA-N 1 0 494.750 3.001 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303324789 1067853801 /nfs/dbraw/zinc/85/38/01/1067853801.db2.gz QXIHYAQUSDMSKU-IBGZPJMESA-N 1 0 473.641 3.026 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@H](C)[NH+](C)C ZINC001303325678 1067855339 /nfs/dbraw/zinc/85/53/39/1067855339.db2.gz YFZFUQNALQUZKR-WMLDXEAASA-N 1 0 469.403 3.276 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001303327218 1067855612 /nfs/dbraw/zinc/85/56/12/1067855612.db2.gz HGFQAYQRTTVVOO-HMXCVIKNSA-N 1 0 490.599 3.330 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCc1nccs1 ZINC001303328346 1067856490 /nfs/dbraw/zinc/85/64/90/1067856490.db2.gz PDFMBEIHGNLCGR-HXUWFJFHSA-N 1 0 467.643 3.216 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CCCC(F)(F)F ZINC001303328692 1067856646 /nfs/dbraw/zinc/85/66/46/1067856646.db2.gz PDSCLDFZPQQGQB-SFHVURJKSA-N 1 0 452.525 3.470 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCC[NH+](C(C)C)C(C)C ZINC001303329121 1067856848 /nfs/dbraw/zinc/85/68/48/1067856848.db2.gz WIABUDOMHDDGPB-HXUWFJFHSA-N 1 0 458.655 3.173 20 0 JGADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(Cc4csc(C)n4)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001304766702 1067856996 /nfs/dbraw/zinc/85/69/96/1067856996.db2.gz GDPXJOULWZTCGA-OAQYLSRUSA-N 1 0 485.706 3.489 20 0 JGADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccccc4)n3CC(C)(C)C[NH+](C)C)CCO2)n1 ZINC001304769471 1067859926 /nfs/dbraw/zinc/85/99/26/1067859926.db2.gz IEZIBJSPCSKACR-JOCHJYFZSA-N 1 0 451.619 3.252 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001303334044 1067862978 /nfs/dbraw/zinc/86/29/78/1067862978.db2.gz JQKSXZSEKAHJGF-LJQANCHMSA-N 1 0 453.635 3.136 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1CCC[NH+]1CCCC1 ZINC001303334673 1067863896 /nfs/dbraw/zinc/86/38/96/1067863896.db2.gz ZCOMQFYETVRFEI-UHFFFAOYSA-N 1 0 453.635 3.139 20 0 JGADRO 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CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001303388915 1067917592 /nfs/dbraw/zinc/91/75/92/1067917592.db2.gz NGYVXUNDIRGMMC-PCCBWWKXSA-N 1 0 460.667 3.322 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001303388921 1067917642 /nfs/dbraw/zinc/91/76/42/1067917642.db2.gz NIJLUFBCAXZZNJ-HYBUGGRVSA-N 1 0 475.037 3.042 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001303390076 1067919553 /nfs/dbraw/zinc/91/95/53/1067919553.db2.gz YDOAAARVXCIVNN-HXUWFJFHSA-N 1 0 477.698 3.056 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001303390550 1067919818 /nfs/dbraw/zinc/91/98/18/1067919818.db2.gz WYKRTDLEQYHNTB-OALUTQOASA-N 1 0 482.551 3.267 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](OCC3CC3)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001303390706 1067920254 /nfs/dbraw/zinc/92/02/54/1067920254.db2.gz YGFPUIPUFZZQCI-YADHBBJMSA-N 1 0 472.609 3.254 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001303390641 1067920268 /nfs/dbraw/zinc/92/02/68/1067920268.db2.gz XNVBQHOSJLAQEV-IBGZPJMESA-N 1 0 482.551 3.096 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001303391077 1067920599 /nfs/dbraw/zinc/92/05/99/1067920599.db2.gz BMTDQURCDSTQJW-QUCCMNQESA-N 1 0 460.648 3.320 20 0 JGADRO Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccco3)[NH+](C)C)CC2)n1 ZINC001304876639 1067920901 /nfs/dbraw/zinc/92/09/01/1067920901.db2.gz SERNCIWHACIOTE-HKUYNNGSSA-N 1 0 470.622 3.337 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001303396477 1067923798 /nfs/dbraw/zinc/92/37/98/1067923798.db2.gz HIHLJSKPFZYTMG-UHFFFAOYSA-N 1 0 488.706 3.246 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001303396595 1067924057 /nfs/dbraw/zinc/92/40/57/1067924057.db2.gz MELGZYSGHQVWPP-UHFFFAOYSA-N 1 0 484.693 3.447 20 0 JGADRO Cc1noc(C)c1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001304879755 1067924177 /nfs/dbraw/zinc/92/41/77/1067924177.db2.gz QPPNHOQPRHHBLR-OAQYLSRUSA-N 1 0 471.650 3.356 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C)Oc1ccc(Cl)cc1 ZINC001303396919 1067925217 /nfs/dbraw/zinc/92/52/17/1067925217.db2.gz XVQXPHKNSVARSL-GOSISDBHSA-N 1 0 463.026 3.458 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C)Oc1ccc(Cl)cc1 ZINC001303396920 1067925273 /nfs/dbraw/zinc/92/52/73/1067925273.db2.gz XVQXPHKNSVARSL-SFHVURJKSA-N 1 0 463.026 3.458 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCCC[NH+]1CCCC1 ZINC001303400446 1067928960 /nfs/dbraw/zinc/92/89/60/1067928960.db2.gz XOYJRHUXNVPHFJ-FQEVSTJZSA-N 1 0 491.681 3.128 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1csc(CCc2ccccc2)n1 ZINC001303402972 1067931611 /nfs/dbraw/zinc/93/16/11/1067931611.db2.gz PPQOSWAHRJFXBK-UHFFFAOYSA-N 1 0 481.670 3.237 20 0 JGADRO Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC001304887898 1067931880 /nfs/dbraw/zinc/93/18/80/1067931880.db2.gz FKWXLYXNEPHCDJ-LJQANCHMSA-N 1 0 486.665 3.320 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001303404011 1067932949 /nfs/dbraw/zinc/93/29/49/1067932949.db2.gz MCIIULPLSUIJNH-HXUWFJFHSA-N 1 0 471.625 3.147 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001303405187 1067933379 /nfs/dbraw/zinc/93/33/79/1067933379.db2.gz KIGXAHAPJLAKRC-UHFFFAOYSA-N 1 0 468.646 3.454 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001303405412 1067933752 /nfs/dbraw/zinc/93/37/52/1067933752.db2.gz SRBIRWFRTRVFIP-UHFFFAOYSA-N 1 0 469.634 3.102 20 0 JGADRO Cc1noc(C2(C)CCN(c3nnc(CC(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)n1 ZINC001304889936 1067934052 /nfs/dbraw/zinc/93/40/52/1067934052.db2.gz PATKEDCTMOROCA-IBGZPJMESA-N 1 0 459.639 3.227 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCOc1ncccc1Cl ZINC001303408342 1067935300 /nfs/dbraw/zinc/93/53/00/1067935300.db2.gz UKCCTOXTXNECQR-LJQANCHMSA-N 1 0 498.031 3.254 20 0 JGADRO Cc1noc([C@@H]2CCCN(c3nnc([C@H]4C[C@@H](NC(=O)OC(C)(C)C)C4)n3C[C@H](C)[NH+](C)C)C2)n1 ZINC001304891607 1067935703 /nfs/dbraw/zinc/93/57/03/1067935703.db2.gz RZWCNJVUCWLLNR-WZGPROSRSA-N 1 0 488.637 3.074 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001303409267 1067936175 /nfs/dbraw/zinc/93/61/75/1067936175.db2.gz FUWCXAFKWZAKDQ-RTBURBONSA-N 1 0 474.675 3.046 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC1(C)CCCC1 ZINC001303410503 1067936900 /nfs/dbraw/zinc/93/69/00/1067936900.db2.gz UFEBZLBBBUOXCL-UHFFFAOYSA-N 1 0 474.572 3.088 20 0 JGADRO Cc1noc([C@@H]2CCCN(c3nnc(C(C)C)n3Cc3cccc(OCC[NH+](C)C)c3)C2)n1 ZINC001304893432 1067938072 /nfs/dbraw/zinc/93/80/72/1067938072.db2.gz WIQWXQIMISXQBT-HXUWFJFHSA-N 1 0 453.591 3.466 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001303411691 1067938063 /nfs/dbraw/zinc/93/80/63/1067938063.db2.gz RZJZMSWJIHHDJB-HSZRJFAPSA-N 1 0 498.672 3.191 20 0 JGADRO Cc1noc(CCCn2c(-c3cc(Br)cn3C)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001304895043 1067939375 /nfs/dbraw/zinc/93/93/75/1067939375.db2.gz XOIIQGVWWGMDJN-UHFFFAOYSA-N 1 0 491.438 3.291 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001303413857 1067939801 /nfs/dbraw/zinc/93/98/01/1067939801.db2.gz FILJEAZRLQOPJX-RLWLMLJZSA-N 1 0 468.646 3.433 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001303415232 1067942738 /nfs/dbraw/zinc/94/27/38/1067942738.db2.gz GPEOSEMUMVPSHL-RPWUZVMVSA-N 1 0 482.673 3.375 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001303415231 1067942760 /nfs/dbraw/zinc/94/27/60/1067942760.db2.gz GPEOSEMUMVPSHL-DNQXCXABSA-N 1 0 482.673 3.375 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001303416332 1067944043 /nfs/dbraw/zinc/94/40/43/1067944043.db2.gz MYOZRILPVAPYHY-UHFFFAOYSA-N 1 0 454.619 3.088 20 0 JGADRO Cc1nsc(N2CCCN(c3nnc([C@H]4CCCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001304901622 1067945301 /nfs/dbraw/zinc/94/53/01/1067945301.db2.gz IKMLWMJSWUYTMP-PMACEKPBSA-N 1 0 476.695 3.025 20 0 JGADRO CC(C)NC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001303422622 1067947814 /nfs/dbraw/zinc/94/78/14/1067947814.db2.gz DHTHXCVJJOMEHB-SFHVURJKSA-N 1 0 492.466 3.025 20 0 JGADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccccc2Br)n1CCC[NH+]1CCCCC1 ZINC001304907699 1067951257 /nfs/dbraw/zinc/95/12/57/1067951257.db2.gz XUKOOFUTMCXWOB-QGZVFWFLSA-N 1 0 475.435 3.251 20 0 JGADRO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001303426565 1067951639 /nfs/dbraw/zinc/95/16/39/1067951639.db2.gz VBLDPNIYEIUQQS-IRLDBZIGSA-N 1 0 476.629 3.139 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001304908544 1067952012 /nfs/dbraw/zinc/95/20/12/1067952012.db2.gz AXUPBYXGAQQGJN-RTBURBONSA-N 1 0 474.675 3.110 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001304909312 1067952615 /nfs/dbraw/zinc/95/26/15/1067952615.db2.gz DCMQWMXYBZVGHW-RZUBCFFCSA-N 1 0 474.694 3.281 20 0 JGADRO CC(C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001303427762 1067952686 /nfs/dbraw/zinc/95/26/86/1067952686.db2.gz RERYSOZDIGWGRM-FQEVSTJZSA-N 1 0 488.080 3.118 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304910660 1067953770 /nfs/dbraw/zinc/95/37/70/1067953770.db2.gz JEHIWURIWAITAS-PLACYPQZSA-N 1 0 480.723 3.437 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304910592 1067953785 /nfs/dbraw/zinc/95/37/85/1067953785.db2.gz ICCZDHJFVGSIKU-SBHAEUEKSA-N 1 0 470.637 3.466 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001304910958 1067954063 /nfs/dbraw/zinc/95/40/63/1067954063.db2.gz JSXCGKYZQGYICY-JFIYKMOQSA-N 1 0 467.540 3.259 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304911105 1067954600 /nfs/dbraw/zinc/95/46/00/1067954600.db2.gz KKWITROVMNWNCN-QRVBRYPASA-N 1 0 484.645 3.173 20 0 JGADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001304911597 1067955294 /nfs/dbraw/zinc/95/52/94/1067955294.db2.gz MIHHUPAUQYNDML-QFBILLFUSA-N 1 0 456.591 3.039 20 0 JGADRO C[C@H]1c2cc(F)cc(F)c2CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001304911645 1067955349 /nfs/dbraw/zinc/95/53/49/1067955349.db2.gz KXBLCKYRJYXGIH-JKSUJKDBSA-N 1 0 481.613 3.170 20 0 JGADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCc2ccccc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001304912130 1067956050 /nfs/dbraw/zinc/95/60/50/1067956050.db2.gz OTYRYFLNCLCVRI-WIYYLYMNSA-N 1 0 452.628 3.095 20 0 JGADRO C[C@H]([C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC001304912914 1067956833 /nfs/dbraw/zinc/95/68/33/1067956833.db2.gz RIFXWGUNFWBIRM-JSXRDJHFSA-N 1 0 490.718 3.278 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304913200 1067957503 /nfs/dbraw/zinc/95/75/03/1067957503.db2.gz VGJAKGXLBILXIQ-XQBPLPMBSA-N 1 0 468.646 3.274 20 0 JGADRO CC(C)[NH+](CCn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)nnc1C(C)(C)C)C(C)C ZINC001304914556 1067958662 /nfs/dbraw/zinc/95/86/62/1067958662.db2.gz URJWAPSNJAYKTB-ZRZAMGCNSA-N 1 0 489.753 3.321 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C1CC1)[NH+](C)C ZINC001303436592 1067960347 /nfs/dbraw/zinc/96/03/47/1067960347.db2.gz YKMUGCPPRWQLTL-GOSISDBHSA-N 1 0 481.414 3.148 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001304918085 1067960846 /nfs/dbraw/zinc/96/08/46/1067960846.db2.gz MZSXGRVPKKPDIZ-IIZPIQPGSA-N 1 0 474.675 3.208 20 0 JGADRO C[C@@H]1C[C@H](C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001304918499 1067960875 /nfs/dbraw/zinc/96/08/75/1067960875.db2.gz HFPOHRFDTLWLHT-LRAJWGHMSA-N 1 0 466.399 3.396 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccccc2Cl)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001303436880 1067961007 /nfs/dbraw/zinc/96/10/07/1067961007.db2.gz PRCBMFTZWNQJME-GOSISDBHSA-N 1 0 463.026 3.060 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303441697 1067964028 /nfs/dbraw/zinc/96/40/28/1067964028.db2.gz WOJAGLFXZNVAKJ-UGKGYDQZSA-N 1 0 470.618 3.016 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001303441723 1067964102 /nfs/dbraw/zinc/96/41/02/1067964102.db2.gz XRIHUFUDYQFXIS-IBGZPJMESA-N 1 0 456.616 3.321 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001303441694 1067964111 /nfs/dbraw/zinc/96/41/11/1067964111.db2.gz WOJAGLFXZNVAKJ-DENIHFKCSA-N 1 0 470.618 3.016 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304923220 1067964722 /nfs/dbraw/zinc/96/47/22/1067964722.db2.gz AJBPRVCMPSTZBC-SJBKTWHCSA-N 1 0 460.667 3.370 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cccnc3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001304923633 1067965435 /nfs/dbraw/zinc/96/54/35/1067965435.db2.gz DIMYLYSSPMYMFJ-OALUTQOASA-N 1 0 465.568 3.392 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304923607 1067965482 /nfs/dbraw/zinc/96/54/82/1067965482.db2.gz CZYZHIPDPJFIFK-RTBURBONSA-N 1 0 472.659 3.275 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)CC2CCOCC2)C1 ZINC001304923984 1067966338 /nfs/dbraw/zinc/96/63/38/1067966338.db2.gz IBPMCBSWSFLOHZ-OYRHEFFESA-N 1 0 460.667 3.135 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303444269 1067966474 /nfs/dbraw/zinc/96/64/74/1067966474.db2.gz RYLZIBQWKYMGDN-YMPZKCBVSA-N 1 0 468.646 3.391 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001304924560 1067967401 /nfs/dbraw/zinc/96/74/01/1067967401.db2.gz JNECTWDYKHIOJR-OTWHNJEPSA-N 1 0 480.583 3.176 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304925191 1067968083 /nfs/dbraw/zinc/96/80/83/1067968083.db2.gz LGOLRTJTQMINEK-SMIHKQSGSA-N 1 0 490.737 3.477 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(Cc3ccccc3F)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304925394 1067969068 /nfs/dbraw/zinc/96/90/68/1067969068.db2.gz CVMWHQPZTVRLNM-PMACEKPBSA-N 1 0 470.637 3.468 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccccn3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001304925890 1067969510 /nfs/dbraw/zinc/96/95/10/1067969510.db2.gz NVARRBGZVCFDDI-OYRHEFFESA-N 1 0 475.632 3.409 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925897 1067969526 /nfs/dbraw/zinc/96/95/26/1067969526.db2.gz MZXHKWAGHQMCBD-BGYRXZFFSA-N 1 0 478.682 3.010 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304926372 1067969895 /nfs/dbraw/zinc/96/98/95/1067969895.db2.gz RIEUMAINDXLXOV-IRXDYDNUSA-N 1 0 494.482 3.365 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001304925961 1067970000 /nfs/dbraw/zinc/97/00/00/1067970000.db2.gz POOHOQVWDXTYDD-KURKYZTESA-N 1 0 460.026 3.028 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304926377 1067970016 /nfs/dbraw/zinc/97/00/16/1067970016.db2.gz RKEJYWMOXICEAK-BBWFWOEESA-N 1 0 492.466 3.105 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2C2CCC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926604 1067970669 /nfs/dbraw/zinc/97/06/69/1067970669.db2.gz SPADVOTZNMYZSG-JTJHWIPRSA-N 1 0 466.696 3.025 20 0 JGADRO CC(C)OC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304926529 1067970701 /nfs/dbraw/zinc/97/07/01/1067970701.db2.gz POYJFYQVRXRNOY-SJBKTWHCSA-N 1 0 460.667 3.381 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001304926528 1067970706 /nfs/dbraw/zinc/97/07/06/1067970706.db2.gz RUOUUJOJRWTJLW-ZMMAXQRCSA-N 1 0 469.556 3.203 20 0 JGADRO CC(C)OC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304926531 1067970768 /nfs/dbraw/zinc/97/07/68/1067970768.db2.gz POYJFYQVRXRNOY-VWPQPMDRSA-N 1 0 460.667 3.381 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001304927131 1067972302 /nfs/dbraw/zinc/97/23/02/1067972302.db2.gz IUSVBBNMLPCCFA-NJYVYQBISA-N 1 0 488.702 3.499 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](Cn3cccn3)C2)C1 ZINC001304927041 1067972501 /nfs/dbraw/zinc/97/25/01/1067972501.db2.gz HZVPGYJPWPORQX-VSKRKVRLSA-N 1 0 457.667 3.337 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001304927285 1067973014 /nfs/dbraw/zinc/97/30/14/1067973014.db2.gz TZPCFLJMJFZDDC-ZCNNSNEGSA-N 1 0 458.676 3.355 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001304927485 1067973344 /nfs/dbraw/zinc/97/33/44/1067973344.db2.gz JXQSHRYNKAZNJV-WTEVXDJOSA-N 1 0 463.667 3.302 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCNC(=O)CC2)C1 ZINC001304927332 1067973373 /nfs/dbraw/zinc/97/33/73/1067973373.db2.gz ULQGYOFPCCDFDW-KDURUIRLSA-N 1 0 474.600 3.232 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCOC3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001304927309 1067973456 /nfs/dbraw/zinc/97/34/56/1067973456.db2.gz UENNRTMFFJBAFL-VWPQPMDRSA-N 1 0 460.667 3.022 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001304927634 1067973891 /nfs/dbraw/zinc/97/38/91/1067973891.db2.gz XCGZDGPZSGRKNC-YPAWHYETSA-N 1 0 484.693 3.035 20 0 JGADRO CC(C)NC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001303454852 1067974661 /nfs/dbraw/zinc/97/46/61/1067974661.db2.gz VGQBHJDVXBXMRX-UHFFFAOYSA-N 1 0 460.573 3.126 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928142 1067975328 /nfs/dbraw/zinc/97/53/28/1067975328.db2.gz SVJMDJWUODVLQE-MBDNFAEBSA-N 1 0 460.667 3.322 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(Nc3ccn(C)n3)nnc2-c2cccc(S(C)(=O)=O)c2)C1 ZINC001304928378 1067976177 /nfs/dbraw/zinc/97/61/77/1067976177.db2.gz NLMAEZZTUQHVPG-ROUUACIJSA-N 1 0 471.631 3.194 20 0 JGADRO CC(C)NC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001303457946 1067976387 /nfs/dbraw/zinc/97/63/87/1067976387.db2.gz OSNYYCUXLPGXJQ-IFMALSPDSA-N 1 0 460.667 3.176 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001304928888 1067976966 /nfs/dbraw/zinc/97/69/66/1067976966.db2.gz RGSBFRCBSQREMJ-BDTNDASRSA-N 1 0 496.766 3.343 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001304928889 1067977036 /nfs/dbraw/zinc/97/70/36/1067977036.db2.gz RGSBFRCBSQREMJ-BHIFYINESA-N 1 0 496.766 3.343 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303462403 1067981323 /nfs/dbraw/zinc/98/13/23/1067981323.db2.gz BISGWUNTRWMXKI-UWJYYQICSA-N 1 0 472.609 3.439 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303462402 1067981366 /nfs/dbraw/zinc/98/13/66/1067981366.db2.gz BISGWUNTRWMXKI-UTKZUKDTSA-N 1 0 472.609 3.439 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC1 ZINC001303462633 1067981849 /nfs/dbraw/zinc/98/18/49/1067981849.db2.gz HFRUANWTSALXQW-INIZCTEOSA-N 1 0 458.998 3.215 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001303462752 1067982324 /nfs/dbraw/zinc/98/23/24/1067982324.db2.gz JHNCAYNUMAYBHF-OFNKIYASSA-N 1 0 489.686 3.377 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001303462728 1067982330 /nfs/dbraw/zinc/98/23/30/1067982330.db2.gz JCGLWJKZBRVJAA-UHFFFAOYSA-N 1 0 485.539 3.056 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)NCC2CC2)CC1 ZINC001303463165 1067982644 /nfs/dbraw/zinc/98/26/44/1067982644.db2.gz OAXQLNLOSHFHSI-KRWDZBQOSA-N 1 0 458.582 3.050 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC2(O)CCC2)CC1 ZINC001303463197 1067982705 /nfs/dbraw/zinc/98/27/05/1067982705.db2.gz PFAYMQCVSYAESH-UHFFFAOYSA-N 1 0 451.413 3.308 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)C2CC2)CC1 ZINC001303463658 1067983071 /nfs/dbraw/zinc/98/30/71/1067983071.db2.gz WQDMSEBTAHIWME-PGRDOPGGSA-N 1 0 474.675 3.049 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 ZINC001303463814 1067983105 /nfs/dbraw/zinc/98/31/05/1067983105.db2.gz ZJZCDUBJGYUWMP-MHECFPHRSA-N 1 0 461.582 3.330 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)C2CC2)CC1 ZINC001303463661 1067983109 /nfs/dbraw/zinc/98/31/09/1067983109.db2.gz WQDMSEBTAHIWME-XMSQKQJNSA-N 1 0 474.675 3.049 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)(F)F)CC1 ZINC001303464493 1067983423 /nfs/dbraw/zinc/98/34/23/1067983423.db2.gz JOEYMHJSIHWYRB-UHFFFAOYSA-N 1 0 475.519 3.139 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001304934483 1067983558 /nfs/dbraw/zinc/98/35/58/1067983558.db2.gz PNLJOPNOLYUJMH-RTWAWAEBSA-N 1 0 460.667 3.035 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccn3)n2CCCn2cc(Br)cn2)CC1 ZINC001303464884 1067983909 /nfs/dbraw/zinc/98/39/09/1067983909.db2.gz BCRHKEZIINHYPK-UHFFFAOYSA-N 1 0 487.450 3.280 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)CC1 ZINC001303465940 1067985242 /nfs/dbraw/zinc/98/52/42/1067985242.db2.gz WJOXYSBFROKQGJ-FQEVSTJZSA-N 1 0 475.659 3.003 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)CC1 ZINC001303465942 1067985290 /nfs/dbraw/zinc/98/52/90/1067985290.db2.gz WJOXYSBFROKQGJ-HXUWFJFHSA-N 1 0 475.659 3.003 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(=O)N(C)C)CC1 ZINC001303467561 1067986046 /nfs/dbraw/zinc/98/60/46/1067986046.db2.gz ALBXSSOCEVOWBN-UHFFFAOYSA-N 1 0 456.635 3.210 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001303467608 1067986551 /nfs/dbraw/zinc/98/65/51/1067986551.db2.gz BZPPVJRGJHEIJM-SBUREZEXSA-N 1 0 464.010 3.017 20 0 JGADRO CC(C)NS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001303468155 1067987710 /nfs/dbraw/zinc/98/77/10/1067987710.db2.gz VABRJICSRMLUBJ-UHFFFAOYSA-N 1 0 495.093 3.381 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC(=O)N(C)C)CC1 ZINC001303468262 1067988152 /nfs/dbraw/zinc/98/81/52/1067988152.db2.gz YHFBSIUYHUNTMM-UHFFFAOYSA-N 1 0 463.026 3.346 20 0 JGADRO C[C@H]1C[C@@H](N(C)c2nnc(-c3ccccn3)n2CCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304946731 1067998584 /nfs/dbraw/zinc/99/85/84/1067998584.db2.gz DEGZXSHIJGKGTM-UNMCSNQZSA-N 1 0 461.614 3.308 20 0 JGADRO COc1ccc(NC(=O)COc2ccc(C(=O)N3CC[C@H](CC[NH+](C)C)C3)cc2OC)cc1 ZINC001303478999 1067998825 /nfs/dbraw/zinc/99/88/25/1067998825.db2.gz PYJZVHADENNQOL-SFHVURJKSA-N 1 0 455.555 3.135 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@@H+]2CCCC(C)(C)C2)CCOC1 ZINC001303480755 1068001114 /nfs/dbraw/zinc/00/11/14/1068001114.db2.gz IJVWNSYSVURJCY-DEOSSOPVSA-N 1 0 494.084 3.464 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)Cc3nccs3)n2C[C@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001303481329 1068002378 /nfs/dbraw/zinc/00/23/78/1068002378.db2.gz OIEHQRBONUNEFZ-VGOFRKELSA-N 1 0 460.604 3.308 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(C(N)=O)c3)n2CC(C)(C)[NH+]2CCCCC2)CCOC1 ZINC001303481460 1068002695 /nfs/dbraw/zinc/00/26/95/1068002695.db2.gz LBXNMYSXGMNVMJ-MHZLTWQESA-N 1 0 498.672 3.319 20 0 JGADRO 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ZINC001303530221 1068058327 /nfs/dbraw/zinc/05/83/27/1068058327.db2.gz PNCUBEPOOJBMIK-NRFANRHFSA-N 1 0 460.667 3.449 20 0 JGADRO CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001303530309 1068058683 /nfs/dbraw/zinc/05/86/83/1068058683.db2.gz BETHEYWQXOXORP-VQIMIIECSA-N 1 0 466.424 3.288 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(CC(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001305015934 1068059055 /nfs/dbraw/zinc/05/90/55/1068059055.db2.gz YQGWIFROODQQHY-FPOVZHCZSA-N 1 0 487.693 3.336 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3cccn3C)n2CCCS(C)(=O)=O)CC1 ZINC001305015908 1068059498 /nfs/dbraw/zinc/05/94/98/1068059498.db2.gz YCUQQOCQGDFSGK-HXUWFJFHSA-N 1 0 476.691 3.199 20 0 JGADRO CC(C)OC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001303530778 1068059765 /nfs/dbraw/zinc/05/97/65/1068059765.db2.gz HLQFPQYRPXZPEN-GOSISDBHSA-N 1 0 495.466 3.161 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F ZINC001305016572 1068059633 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1068073882 /nfs/dbraw/zinc/07/38/82/1068073882.db2.gz MALXTXWLOJNVJR-INIZCTEOSA-N 1 0 484.041 3.483 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023222 1068075067 /nfs/dbraw/zinc/07/50/67/1068075067.db2.gz BATUDDPAXTZHTA-MXEMCNAFSA-N 1 0 460.667 3.034 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023268 1068075919 /nfs/dbraw/zinc/07/59/19/1068075919.db2.gz QTDNTPVFCPWDRR-LJQANCHMSA-N 1 0 488.706 3.100 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC=CCC2)C1 ZINC001305024563 1068078912 /nfs/dbraw/zinc/07/89/12/1068078912.db2.gz ZRNRCHGZOFHJRG-FQEVSTJZSA-N 1 0 486.686 3.472 20 0 JGADRO CC(C)OCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001303554326 1068078849 /nfs/dbraw/zinc/07/88/49/1068078849.db2.gz DKKOBKNCVKDRAY-OAQYLSRUSA-N 1 0 477.613 3.451 20 0 JGADRO C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305025442 1068080583 /nfs/dbraw/zinc/08/05/83/1068080583.db2.gz RCRJDSXNZBKBEH-ZWKOTPCHSA-N 1 0 451.541 3.145 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025510 1068080837 /nfs/dbraw/zinc/08/08/37/1068080837.db2.gz RURBNVWIPGUELC-HSALFYBXSA-N 1 0 484.670 3.483 20 0 JGADRO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305025767 1068081468 /nfs/dbraw/zinc/08/14/68/1068081468.db2.gz UOKKBLHZJJXAMO-DLBZAZTESA-N 1 0 452.525 3.354 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305027183 1068083822 /nfs/dbraw/zinc/08/38/22/1068083822.db2.gz TVOBGPVKMZFQOR-ZHALLVOQSA-N 1 0 481.613 3.215 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028322 1068084532 /nfs/dbraw/zinc/08/45/32/1068084532.db2.gz YNYVRCGVPPVAHI-GGPKGHCWSA-N 1 0 458.582 3.004 20 0 JGADRO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](C)C1 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ZINC001303602031 1068132046 /nfs/dbraw/zinc/13/20/46/1068132046.db2.gz MIVYMBDISHMHQS-INZIPBBXSA-N 1 0 458.657 3.257 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC001303602611 1068133129 /nfs/dbraw/zinc/13/31/29/1068133129.db2.gz SZXRUIVNHHBMED-LJQANCHMSA-N 1 0 487.674 3.247 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001305063638 1068133404 /nfs/dbraw/zinc/13/34/04/1068133404.db2.gz IJPZJADAVBVTOB-ICSRJNTNSA-N 1 0 457.623 3.449 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305063850 1068134063 /nfs/dbraw/zinc/13/40/63/1068134063.db2.gz BHDBPQNOKHRBSF-IBGZPJMESA-N 1 0 476.616 3.476 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC001305063823 1068134071 /nfs/dbraw/zinc/13/40/71/1068134071.db2.gz AZDPNCYCBZSXPI-RBUKOAKNSA-N 1 0 459.038 3.310 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001305064042 1068134097 /nfs/dbraw/zinc/13/40/97/1068134097.db2.gz RWSNEGQCNRLOJU-PKOBYXMFSA-N 1 0 469.556 3.347 20 0 JGADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCC(C)CC1 ZINC001305064102 1068135021 /nfs/dbraw/zinc/13/50/21/1068135021.db2.gz CFTODCFGBKMNPC-OAQYLSRUSA-N 1 0 468.646 3.112 20 0 JGADRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303603884 1068136411 /nfs/dbraw/zinc/13/64/11/1068136411.db2.gz UNXAWNGHTZIYRW-UPTQXZAWSA-N 1 0 458.676 3.116 20 0 JGADRO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303605604 1068138933 /nfs/dbraw/zinc/13/89/33/1068138933.db2.gz ZMBDKDQOUBEQLY-NFVVUBBGSA-N 1 0 495.697 3.301 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001305066689 1068139130 /nfs/dbraw/zinc/13/91/30/1068139130.db2.gz NTEWHIYRYLMPEF-RXVVDRJESA-N 1 0 496.077 3.254 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305067224 1068139653 /nfs/dbraw/zinc/13/96/53/1068139653.db2.gz RHLITUATBJNFSZ-PMACEKPBSA-N 1 0 479.595 3.457 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001305069089 1068143350 /nfs/dbraw/zinc/14/33/50/1068143350.db2.gz ZAASKWJMPLAQAK-NRFANRHFSA-N 1 0 467.662 3.079 20 0 JGADRO C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001305069404 1068143388 /nfs/dbraw/zinc/14/33/88/1068143388.db2.gz WQHQABQTXNWKPS-WOJBJXKFSA-N 1 0 477.613 3.396 20 0 JGADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CC=CCC1 ZINC001303609583 1068144628 /nfs/dbraw/zinc/14/46/28/1068144628.db2.gz HGQMBFJDXWNRBL-RBBKRZOGSA-N 1 0 452.603 3.047 20 0 JGADRO C[C@@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303613259 1068147467 /nfs/dbraw/zinc/14/74/67/1068147467.db2.gz KOLSLBAANPUSRN-YUXAGFNASA-N 1 0 472.609 3.409 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 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3.299 20 0 JGADRO CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001305105410 1068173195 /nfs/dbraw/zinc/17/31/95/1068173195.db2.gz DOCNGHQGZVGLIU-OYRHEFFESA-N 1 0 489.709 3.311 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001305105765 1068173655 /nfs/dbraw/zinc/17/36/55/1068173655.db2.gz CZCJDUJMIVQAKH-QFIPXVFZSA-N 1 0 489.064 3.455 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001303646051 1068174488 /nfs/dbraw/zinc/17/44/88/1068174488.db2.gz ORGUAGXQNKWOKO-KXBFYZLASA-N 1 0 475.435 3.425 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303648267 1068176750 /nfs/dbraw/zinc/17/67/50/1068176750.db2.gz WGOKIKQRAXWNKG-CQSZACIVSA-N 1 0 466.428 3.000 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccccc3F)nnc2N(C)Cc2ncnn2CC(F)F)CC1 ZINC001305107930 1068176825 /nfs/dbraw/zinc/17/68/25/1068176825.db2.gz PYRQRMYOMIBBCJ-UHFFFAOYSA-N 1 0 462.524 3.309 20 0 JGADRO CC1CC[NH+](CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCOC[C@H]2C)CC1 ZINC001305108413 1068177310 /nfs/dbraw/zinc/17/73/10/1068177310.db2.gz SKLVOZUHCUYOHX-NHCUHLMSSA-N 1 0 476.666 3.350 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001305108381 1068177340 /nfs/dbraw/zinc/17/73/40/1068177340.db2.gz RRVRIBMMDLVXTL-SFTDATJTSA-N 1 0 476.666 3.350 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC001305108451 1068178060 /nfs/dbraw/zinc/17/80/60/1068178060.db2.gz UAPXTLRDPGZCKE-LJQANCHMSA-N 1 0 462.545 3.199 20 0 JGADRO O=C(CNC(=O)c1ccccc1OC(F)F)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305108822 1068178329 /nfs/dbraw/zinc/17/83/29/1068178329.db2.gz PUOOLLFNFSODRF-HSALFYBXSA-N 1 0 457.521 3.435 20 0 JGADRO CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001305109098 1068179024 /nfs/dbraw/zinc/17/90/24/1068179024.db2.gz OKXPSJBFUGNVBY-HBMCJLEFSA-N 1 0 476.666 3.132 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001305110224 1068181174 /nfs/dbraw/zinc/18/11/74/1068181174.db2.gz GMEVIBAAPTVDMB-CNNODRBYSA-N 1 0 489.583 3.207 20 0 JGADRO CC1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001305110426 1068181211 /nfs/dbraw/zinc/18/12/11/1068181211.db2.gz JMOTVDXLAJAQHI-UHFFFAOYSA-N 1 0 485.580 3.244 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC001305111241 1068182335 /nfs/dbraw/zinc/18/23/35/1068182335.db2.gz AFQILWSXUPJQFO-FUPPJEDESA-N 1 0 482.673 3.043 20 0 JGADRO CC1CC[NH+](CCn2c(COc3ccccc3F)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001305111217 1068182408 /nfs/dbraw/zinc/18/24/08/1068182408.db2.gz ZIPJNFQCIOFILN-UHFFFAOYSA-N 1 0 488.652 3.275 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@H+](C)C1CCCCC1 ZINC001303652681 1068182729 /nfs/dbraw/zinc/18/27/29/1068182729.db2.gz JVSYZNWMFDFLCZ-LJQANCHMSA-N 1 0 451.619 3.246 20 0 JGADRO C[C@@H](N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305111429 1068182871 /nfs/dbraw/zinc/18/28/71/1068182871.db2.gz CKFBXQGOLFDMKU-FGTMMUONSA-N 1 0 472.600 3.191 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001305111559 1068183575 /nfs/dbraw/zinc/18/35/75/1068183575.db2.gz AIINCWRBXKHQDP-YESZJQIVSA-N 1 0 493.027 3.292 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001305111560 1068183586 /nfs/dbraw/zinc/18/35/86/1068183586.db2.gz AIINCWRBXKHQDP-ZACQAIPSSA-N 1 0 493.027 3.292 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001305111608 1068183646 /nfs/dbraw/zinc/18/36/46/1068183646.db2.gz BGAFMBGEASMOJX-HXUWFJFHSA-N 1 0 462.545 3.215 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)CC2COC(C)(C)OC2)C[C@@H](C)O1 ZINC001305111745 1068184859 /nfs/dbraw/zinc/18/48/59/1068184859.db2.gz BSONAFWLZMRUMA-RTBURBONSA-N 1 0 474.650 3.007 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC3(CCN(C)C3=O)CC2)C[C@H](C)O1 ZINC001305112344 1068185947 /nfs/dbraw/zinc/18/59/47/1068185947.db2.gz KTFVEURYOKBEHR-PMACEKPBSA-N 1 0 474.694 3.203 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3C[C@H](C)O[C@@]4(CCCOC4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112164 1068186070 /nfs/dbraw/zinc/18/60/70/1068186070.db2.gz JNUQXYBRYJQCTL-ZDQHKECQSA-N 1 0 463.667 3.238 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305112749 1068187995 /nfs/dbraw/zinc/18/79/95/1068187995.db2.gz JJSBFLFGHQVZIS-RCCFBDPRSA-N 1 0 460.589 3.362 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC001305113135 1068188744 /nfs/dbraw/zinc/18/87/44/1068188744.db2.gz MGATUQLQFPPDGK-CALCHBBNSA-N 1 0 473.572 3.481 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(CCO)Cc2ccccc2)C[C@@H](C)O1 ZINC001305113662 1068190053 /nfs/dbraw/zinc/19/00/53/1068190053.db2.gz VJOXOKLWHMWDLB-FGZHOGPDSA-N 1 0 478.641 3.151 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(C3CCC3)nnc2N(CCO)CCc2ccccc2)C[C@@H](C)O1 ZINC001305114118 1068191275 /nfs/dbraw/zinc/19/12/75/1068191275.db2.gz XUEWKFNLZJRTTD-NHCUHLMSSA-N 1 0 455.647 3.475 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305114359 1068191672 /nfs/dbraw/zinc/19/16/72/1068191672.db2.gz RRAOAXFJZNIPMM-OTWHNJEPSA-N 1 0 495.594 3.301 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@H](C)O1 ZINC001305114455 1068192551 /nfs/dbraw/zinc/19/25/51/1068192551.db2.gz YFGXXDNEHRUKLQ-ZDQHKECQSA-N 1 0 463.667 3.139 20 0 JGADRO C[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[N@H+](C)Cc1ccccc1 ZINC001303662076 1068193332 /nfs/dbraw/zinc/19/33/32/1068193332.db2.gz CJTNQPJUSQCGTG-SJBKTWHCSA-N 1 0 477.613 3.043 20 0 JGADRO C[C@@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC001303663268 1068195109 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/nfs/dbraw/zinc/19/74/54/1068197454.db2.gz KTRRALBJVRHZCW-RBBKRZOGSA-N 1 0 482.654 3.264 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001303665149 1068198349 /nfs/dbraw/zinc/19/83/49/1068198349.db2.gz SHPYPJPYBQBBJO-GIWBLDEGSA-N 1 0 495.672 3.150 20 0 JGADRO C[C@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303666021 1068199380 /nfs/dbraw/zinc/19/93/80/1068199380.db2.gz WELSZPYATWIAIM-IFMALSPDSA-N 1 0 497.669 3.049 20 0 JGADRO C[C@@H](CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCCC1 ZINC001303666065 1068200048 /nfs/dbraw/zinc/20/00/48/1068200048.db2.gz WMSAQZLHGIWEBK-ROUUACIJSA-N 1 0 466.051 3.486 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1)[NH+]1CCCCC1 ZINC001303666678 1068200825 /nfs/dbraw/zinc/20/08/25/1068200825.db2.gz FEEJVUUJIXDHJN-NHCUHLMSSA-N 1 0 476.666 3.494 20 0 JGADRO C[C@@H](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1)[NH+]1CCCCC1 ZINC001303666677 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C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303667026 1068201491 /nfs/dbraw/zinc/20/14/91/1068201491.db2.gz ONEAJLOJEFYTAK-JMJGKCIBSA-N 1 0 482.673 3.419 20 0 JGADRO C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCCCC1 ZINC001303666868 1068201502 /nfs/dbraw/zinc/20/15/02/1068201502.db2.gz FVTXCZJQAXXCGV-UXHICEINSA-N 1 0 493.649 3.099 20 0 JGADRO C[C@@H](CCn1c(N2CCN(C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667328 1068201878 /nfs/dbraw/zinc/20/18/78/1068201878.db2.gz QRXGQMSTEOQECV-ZEQRLZLVSA-N 1 0 498.716 3.402 20 0 JGADRO C[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303667226 1068201999 /nfs/dbraw/zinc/20/19/99/1068201999.db2.gz ONEAJLOJEFYTAK-MLDBQTBOSA-N 1 0 482.673 3.419 20 0 JGADRO C[C@@H](CCn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCCC1 ZINC001303668346 1068202856 /nfs/dbraw/zinc/20/28/56/1068202856.db2.gz ZESPFXICTHLAMP-JTHBVZDNSA-N 1 0 473.687 3.341 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303668007 1068202878 /nfs/dbraw/zinc/20/28/78/1068202878.db2.gz WQSWRWSCDNVFOR-MDNUFGMLSA-N 1 0 489.686 3.444 20 0 JGADRO C[C@H](CCn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCCC1 ZINC001303668343 1068202972 /nfs/dbraw/zinc/20/29/72/1068202972.db2.gz ZESPFXICTHLAMP-FYYLOGMGSA-N 1 0 473.687 3.341 20 0 JGADRO C[C@@H](CCn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001303668706 1068203298 /nfs/dbraw/zinc/20/32/98/1068203298.db2.gz OVINENYOHCSQAW-IBGZPJMESA-N 1 0 465.568 3.213 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(CSc2ccc(Cl)cc2)n1CC[NH+]1CCCCC1 ZINC001305121057 1068203602 /nfs/dbraw/zinc/20/36/02/1068203602.db2.gz GWORKGYMILQPRI-QGZVFWFLSA-N 1 0 463.051 3.377 20 0 JGADRO COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001303669219 1068203883 /nfs/dbraw/zinc/20/38/83/1068203883.db2.gz FWZLUHFXWXHSDL-KNQAVFIVSA-N 1 0 452.448 3.481 20 0 JGADRO 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C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001303675893 1068214294 /nfs/dbraw/zinc/21/42/94/1068214294.db2.gz VLYCFPJGKAXJRH-NJDAHSKKSA-N 1 0 476.666 3.350 20 0 JGADRO CC(C)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001305128561 1068214509 /nfs/dbraw/zinc/21/45/09/1068214509.db2.gz JEWAFFNQGMMHLF-HXUWFJFHSA-N 1 0 457.619 3.165 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001305130547 1068215455 /nfs/dbraw/zinc/21/54/55/1068215455.db2.gz BVPLTBKNSJHPCE-IPMKNSEASA-N 1 0 461.582 3.282 20 0 JGADRO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)[NH+](C)C ZINC001305130549 1068215652 /nfs/dbraw/zinc/21/56/52/1068215652.db2.gz BVPLTBKNSJHPCE-QRVBRYPASA-N 1 0 461.582 3.282 20 0 JGADRO CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cc(N(C)C)cc[nH+]3)c2)cc1 ZINC001303681279 1068217340 /nfs/dbraw/zinc/21/73/40/1068217340.db2.gz XEYYLLMSGCTKSJ-UHFFFAOYSA-N 1 0 454.552 3.277 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C)S1 ZINC001305133139 1068218880 /nfs/dbraw/zinc/21/88/80/1068218880.db2.gz LMTOJFKMMHAPQW-QEEYODRMSA-N 1 0 466.449 3.104 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCC2)CC(C)(C)O1 ZINC001305133190 1068219421 /nfs/dbraw/zinc/21/94/21/1068219421.db2.gz MBZJWLAHYSQANA-HNNXBMFYSA-N 1 0 451.413 3.146 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC1CCC(F)(F)CC1 ZINC001305133299 1068219982 /nfs/dbraw/zinc/21/99/82/1068219982.db2.gz MANZQGFJECJXFD-SJORKVTESA-N 1 0 488.649 3.024 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCSCC2)CC(C)(C)O1 ZINC001305134072 1068221734 /nfs/dbraw/zinc/22/17/34/1068221734.db2.gz PLWYWOWKUHGLKO-HNNXBMFYSA-N 1 0 483.480 3.099 20 0 JGADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)cc(F)c1)[N@H+](C)C1CC1 ZINC001303684125 1068221920 /nfs/dbraw/zinc/22/19/20/1068221920.db2.gz ITUWUBFZAPUVDA-HNNXBMFYSA-N 1 0 455.513 3.323 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001305134507 1068222077 /nfs/dbraw/zinc/22/20/77/1068222077.db2.gz AYOOCOSVPBYZGW-GJZGRUSLSA-N 1 0 451.413 3.239 20 0 JGADRO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCOC1)[N@H+](C)C1CC1 ZINC001303686615 1068224688 /nfs/dbraw/zinc/22/46/88/1068224688.db2.gz HHUINPNTTAWUDL-MJGOQNOKSA-N 1 0 475.037 3.207 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001305135701 1068224851 /nfs/dbraw/zinc/22/48/51/1068224851.db2.gz UHQZOFYAAFFBNS-MRXNPFEDSA-N 1 0 464.408 3.044 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001305136841 1068227100 /nfs/dbraw/zinc/22/71/00/1068227100.db2.gz QWJVWLUOAVGMAN-ZWOKBUDYSA-N 1 0 480.654 3.203 20 0 JGADRO C[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+](C)C ZINC001303692047 1068232681 /nfs/dbraw/zinc/23/26/81/1068232681.db2.gz OQFKUJQWPKRQGP-IAGOWNOFSA-N 1 0 476.551 3.358 20 0 JGADRO C[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+](C)C ZINC001303692048 1068232769 /nfs/dbraw/zinc/23/27/69/1068232769.db2.gz OQFKUJQWPKRQGP-IRXDYDNUSA-N 1 0 476.551 3.358 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)[NH+](C)C ZINC001303692365 1068234032 /nfs/dbraw/zinc/23/40/32/1068234032.db2.gz VSUQBUZMZYJFOB-SUMWQHHRSA-N 1 0 461.412 3.233 20 0 JGADRO C[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC(=O)NC(C)(C)C)[N@H+](C)C1CC1 ZINC001303692381 1068234055 /nfs/dbraw/zinc/23/40/55/1068234055.db2.gz WEEIIBIPYPYVRJ-QGZVFWFLSA-N 1 0 464.618 3.169 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC001303692554 1068234534 /nfs/dbraw/zinc/23/45/34/1068234534.db2.gz YZQHVJZAVXYRCJ-AWEZNQCLSA-N 1 0 469.453 3.088 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001303693028 1068235275 /nfs/dbraw/zinc/23/52/75/1068235275.db2.gz BKCPFOXPZMRJAZ-PMACEKPBSA-N 1 0 488.080 3.072 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cnn(C)c2)CC1)[NH+](C)C ZINC001303693375 1068235976 /nfs/dbraw/zinc/23/59/76/1068235976.db2.gz GAIZEWXBTYZFCQ-OAHLLOKOSA-N 1 0 463.417 3.262 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001303694506 1068237141 /nfs/dbraw/zinc/23/71/41/1068237141.db2.gz FEFCEFBRAVCLDW-FUHWJXTLSA-N 1 0 496.628 3.160 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C2CC2)[NH+](C)C)CC(=O)N1C ZINC001305141857 1068238034 /nfs/dbraw/zinc/23/80/34/1068238034.db2.gz JNSKYMYQNCPBLO-UGSOOPFHSA-N 1 0 495.853 3.368 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+](C)C ZINC001303697218 1068240935 /nfs/dbraw/zinc/24/09/35/1068240935.db2.gz WVZFKJWVJAOKBL-OAHLLOKOSA-N 1 0 485.496 3.266 20 0 JGADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1c1nncn1C)[NH+](C)C ZINC001303699289 1068241925 /nfs/dbraw/zinc/24/19/25/1068241925.db2.gz HNMRCRALWRQNLZ-DYVFJYSZSA-N 1 0 477.386 3.267 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCCCCC2)CC(C)(C)O1 ZINC001305143454 1068242346 /nfs/dbraw/zinc/24/23/46/1068242346.db2.gz KNWQRTOHDJOUDN-IBGZPJMESA-N 1 0 475.659 3.228 20 0 JGADRO C[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[NH+](C)C ZINC001303700367 1068243275 /nfs/dbraw/zinc/24/32/75/1068243275.db2.gz PLPQKKSLVKMTDG-AWEZNQCLSA-N 1 0 479.507 3.055 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001305145312 1068246627 /nfs/dbraw/zinc/24/66/27/1068246627.db2.gz XQYUVVISPDOQHJ-UEXGIBASSA-N 1 0 486.642 3.184 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC001305145816 1068247099 /nfs/dbraw/zinc/24/70/99/1068247099.db2.gz JFOVLLYTARXENR-LLGFUMIMSA-N 1 0 493.027 3.294 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303703819 1068248841 /nfs/dbraw/zinc/24/88/41/1068248841.db2.gz VPPZAJTWLNYOMQ-NRFANRHFSA-N 1 0 477.657 3.499 20 0 JGADRO C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CCC(N)=O)CC1)[NH+](C)C ZINC001303706548 1068250710 /nfs/dbraw/zinc/25/07/10/1068250710.db2.gz AMUANMBQAAWMIE-KRWDZBQOSA-N 1 0 451.575 3.032 20 0 JGADRO C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+](C)C ZINC001303706568 1068251059 /nfs/dbraw/zinc/25/10/59/1068251059.db2.gz BCURIEYPSFMJEX-IBGZPJMESA-N 1 0 467.618 3.097 20 0 JGADRO CC(C)n1nc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303706858 1068251932 /nfs/dbraw/zinc/25/19/32/1068251932.db2.gz CMNZIWDWOIQNAX-INIZCTEOSA-N 1 0 459.545 3.422 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303708579 1068254522 /nfs/dbraw/zinc/25/45/22/1068254522.db2.gz QVZSTAVNLPCJJX-VQTJNVASSA-N 1 0 494.644 3.432 20 0 JGADRO C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(Br)s1)[NH+](C)C ZINC001303709246 1068255019 /nfs/dbraw/zinc/25/50/19/1068255019.db2.gz SFHFKPSUPSGWON-LBPRGKRZSA-N 1 0 481.420 3.416 20 0 JGADRO CC(C)n1nc(-c2nnc(N(C)Cc3ccccn3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303709251 1068255148 /nfs/dbraw/zinc/25/51/48/1068255148.db2.gz SIGNVBYPVKZXHN-SFHVURJKSA-N 1 0 460.586 3.217 20 0 JGADRO C[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)Cc1cc(Cl)ccn1)[NH+](C)C ZINC001303709523 1068255603 /nfs/dbraw/zinc/25/56/03/1068255603.db2.gz VNDXCLBCXGGNJU-AWEZNQCLSA-N 1 0 452.950 3.229 20 0 JGADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F)[N@H+](C)C1CC1 ZINC001303714347 1068260060 /nfs/dbraw/zinc/26/00/60/1068260060.db2.gz YEBNPRWJSOAKCF-RDTXWAMCSA-N 1 0 450.509 3.367 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001305153192 1068260941 /nfs/dbraw/zinc/26/09/41/1068260941.db2.gz XZCJBWBZCBRXBW-KNQAVFIVSA-N 1 0 461.054 3.486 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303715124 1068261203 /nfs/dbraw/zinc/26/12/03/1068261203.db2.gz AJHDUIKGUMEGAJ-AABGKKOBSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303715126 1068261636 /nfs/dbraw/zinc/26/16/36/1068261636.db2.gz AJHDUIKGUMEGAJ-HSALFYBXSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001303717157 1068265030 /nfs/dbraw/zinc/26/50/30/1068265030.db2.gz JGJGPUKFAODQIP-UYAOXDASSA-N 1 0 494.681 3.178 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001305157100 1068265887 /nfs/dbraw/zinc/26/58/87/1068265887.db2.gz JQBNVRXIFKDVQY-FPOVZHCZSA-N 1 0 453.635 3.155 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305159916 1068268723 /nfs/dbraw/zinc/26/87/23/1068268723.db2.gz GSQJLLBOVCQERK-RBUKOAKNSA-N 1 0 459.639 3.363 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H](C(F)(F)F)O1 ZINC001305161383 1068269399 /nfs/dbraw/zinc/26/93/99/1068269399.db2.gz NFHBXTDNKIUWGG-DYESRHJHSA-N 1 0 492.546 3.428 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001303720685 1068269698 /nfs/dbraw/zinc/26/96/98/1068269698.db2.gz ZTWXBVRHKZLZCY-FHWLQOOXSA-N 1 0 464.655 3.346 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305162851 1068271031 /nfs/dbraw/zinc/27/10/31/1068271031.db2.gz MOMPTIXDXWVUON-AVRDEDQJSA-N 1 0 494.644 3.138 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001305164345 1068273558 /nfs/dbraw/zinc/27/35/58/1068273558.db2.gz LMFSPCPFUKGGAG-MNEFBYGVSA-N 1 0 467.540 3.402 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCCC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305164386 1068274249 /nfs/dbraw/zinc/27/42/49/1068274249.db2.gz GODUUEUREYABIY-TZIWHRDSSA-N 1 0 484.649 3.351 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC001303723729 1068274905 /nfs/dbraw/zinc/27/49/05/1068274905.db2.gz VEJXIZYSTGSOEP-SUMDDJOVSA-N 1 0 453.509 3.329 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccs2)[NH+](C)C)CCN1CC(F)(F)F ZINC001305165162 1068275338 /nfs/dbraw/zinc/27/53/38/1068275338.db2.gz YOQZFSGQRBHBLF-WBVHZDCISA-N 1 0 482.580 3.116 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)C(C)C ZINC001305166244 1068277207 /nfs/dbraw/zinc/27/72/07/1068277207.db2.gz XXZLDELRCYHNOP-FUHWJXTLSA-N 1 0 457.545 3.344 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001305166993 1068277890 /nfs/dbraw/zinc/27/78/90/1068277890.db2.gz JCODWPCCMTZHRV-MAUKXSAKSA-N 1 0 493.534 3.480 20 0 JGADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+](C)C ZINC001303726514 1068278709 /nfs/dbraw/zinc/27/87/09/1068278709.db2.gz FMFQGWDSKKUHGE-VFNWGFHPSA-N 1 0 457.516 3.488 20 0 JGADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001303727197 1068280561 /nfs/dbraw/zinc/28/05/61/1068280561.db2.gz JVECILKFVDSCFL-MSOLQXFVSA-N 1 0 457.623 3.298 20 0 JGADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC001303727199 1068280620 /nfs/dbraw/zinc/28/06/20/1068280620.db2.gz JVECILKFVDSCFL-QZTJIDSGSA-N 1 0 457.623 3.298 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCCC3)n2C[C@H]2CCC[N@@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001305171543 1068284095 /nfs/dbraw/zinc/28/40/95/1068284095.db2.gz SEXUMERIFVOUNT-PZJWPPBQSA-N 1 0 476.666 3.228 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303729573 1068284561 /nfs/dbraw/zinc/28/45/61/1068284561.db2.gz VSTRFFKJHRFPBN-QFIPXVFZSA-N 1 0 489.668 3.479 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303730098 1068285310 /nfs/dbraw/zinc/28/53/10/1068285310.db2.gz YZMYIBQLKWIWBF-GOSISDBHSA-N 1 0 457.623 3.050 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303731583 1068286597 /nfs/dbraw/zinc/28/65/97/1068286597.db2.gz ODKBHUDMYYHPQG-FQEVSTJZSA-N 1 0 469.584 3.172 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001305176012 1068288333 /nfs/dbraw/zinc/28/83/33/1068288333.db2.gz QYEZLSBAXNVTCO-MHECFPHRSA-N 1 0 494.706 3.055 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305176362 1068288903 /nfs/dbraw/zinc/28/89/03/1068288903.db2.gz AGNIUNXSOJUQMP-MOPGFXCFSA-N 1 0 464.655 3.206 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCCCC2)CCN1CC(F)(F)F ZINC001305176933 1068289866 /nfs/dbraw/zinc/28/98/66/1068289866.db2.gz CNSWVRIKSRNVIC-RTBURBONSA-N 1 0 458.573 3.469 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001305177270 1068290985 /nfs/dbraw/zinc/29/09/85/1068290985.db2.gz DWSSQWPTFSPTQX-WTGUMLROSA-N 1 0 488.633 3.417 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN(C)CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC001305177571 1068291493 /nfs/dbraw/zinc/29/14/93/1068291493.db2.gz XMCYBYDPUDKUAV-OALUTQOASA-N 1 0 472.600 3.367 20 0 JGADRO 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20 0 JGADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC001303743378 1068302745 /nfs/dbraw/zinc/30/27/45/1068302745.db2.gz AUICHTMLURSGNF-TZIWHRDSSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)C[C@@H](C)S1 ZINC001305185448 1068303328 /nfs/dbraw/zinc/30/33/28/1068303328.db2.gz LZLZWCKRXJBRQE-AQNXPRMDSA-N 1 0 494.706 3.403 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(N(C)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001303743838 1068303406 /nfs/dbraw/zinc/30/34/06/1068303406.db2.gz FMSYXPCOLFMNEX-OAQYLSRUSA-N 1 0 467.662 3.253 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001303744224 1068303828 /nfs/dbraw/zinc/30/38/28/1068303828.db2.gz CCBDFVJJIFNGHM-IAGOWNOFSA-N 1 0 475.435 3.106 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)C[C@H]1C)C[NH+]1CCCC1 ZINC001303744845 1068305396 /nfs/dbraw/zinc/30/53/96/1068305396.db2.gz DYDHFDSZAMCNRI-HZPDHXFCSA-N 1 0 493.425 3.246 20 0 JGADRO 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C[C@H]([NH2+]C(C)(C)Cn1c(-c2ccccn2)nnc1N(C)CCN1CCOCC1)c1ccccc1 ZINC001303797078 1068386202 /nfs/dbraw/zinc/38/62/02/1068386202.db2.gz KPSDSHNWCJPTMW-NRFANRHFSA-N 1 0 463.630 3.238 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CCC3)n2CCOCC[NH+](C)C)C1 ZINC001303797412 1068387284 /nfs/dbraw/zinc/38/72/84/1068387284.db2.gz KVTSMERBYUNUMU-ICSRJNTNSA-N 1 0 464.655 3.253 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303797465 1068387884 /nfs/dbraw/zinc/38/78/84/1068387884.db2.gz MOTSXLVXAXSRKO-PNYFIKQUSA-N 1 0 462.639 3.352 20 0 JGADRO C[C@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)CCOC1(C)C ZINC001305240713 1068390635 /nfs/dbraw/zinc/39/06/35/1068390635.db2.gz QBWHDGAVCNKQJC-IAGOWNOFSA-N 1 0 469.615 3.294 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001303800266 1068393909 /nfs/dbraw/zinc/39/39/09/1068393909.db2.gz WPNMTXXHKSXXBY-HKUYNNGSSA-N 1 0 456.616 3.026 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001303800491 1068395377 /nfs/dbraw/zinc/39/53/77/1068395377.db2.gz YUQYWJJZGQLQFU-RBUKOAKNSA-N 1 0 472.638 3.205 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CC[N@H+](C)C1CCCC1 ZINC001303803073 1068401354 /nfs/dbraw/zinc/40/13/54/1068401354.db2.gz IJXQEUAVJXIFLM-CVEARBPZSA-N 1 0 484.617 3.238 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1CC1CC[NH+](C2CC2)CC1 ZINC001303803252 1068401947 /nfs/dbraw/zinc/40/19/47/1068401947.db2.gz KTLLBVHSTDSTPR-IAGOWNOFSA-N 1 0 478.638 3.099 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303803391 1068402454 /nfs/dbraw/zinc/40/24/54/1068402454.db2.gz MYPVZNZXEALOQA-MSOLQXFVSA-N 1 0 480.654 3.489 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 ZINC001303804145 1068403867 /nfs/dbraw/zinc/40/38/67/1068403867.db2.gz ROUKXSXULJLMQR-PMACEKPBSA-N 1 0 461.614 3.060 20 0 JGADRO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001303804396 1068405044 /nfs/dbraw/zinc/40/50/44/1068405044.db2.gz TXAIERSLRCKWAZ-JZXOWHBKSA-N 1 0 466.677 3.164 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccccc1 ZINC001303805115 1068406738 /nfs/dbraw/zinc/40/67/38/1068406738.db2.gz WXKHPVKSTDAMNB-RBBKRZOGSA-N 1 0 475.641 3.485 20 0 JGADRO C[C@H]1OCC[C@]12CN(c1nnc(CCCc3ccccc3)n1CC(C)(C)C[NH+](C)C)CCO2 ZINC001305250448 1068409169 /nfs/dbraw/zinc/40/91/69/1068409169.db2.gz BUGAFKVFLHVPBA-RLWLMLJZSA-N 1 0 455.647 3.425 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN1CCOCC1)c1ccccc1 ZINC001303805851 1068409582 /nfs/dbraw/zinc/40/95/82/1068409582.db2.gz ZMXKKUPTIMNKJD-GMAHTHKFSA-N 1 0 470.662 3.418 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001305256093 1068419406 /nfs/dbraw/zinc/41/94/06/1068419406.db2.gz PKQKGEPVXQGAQJ-IPJJNNNSSA-N 1 0 491.727 3.399 20 0 JGADRO C[C@@H]1SCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)Cc2ccc(F)cc2)[C@H]1C ZINC001305256974 1068420010 /nfs/dbraw/zinc/42/00/10/1068420010.db2.gz ILGQTSKJKACMFQ-ROUUACIJSA-N 1 0 460.623 3.002 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305258163 1068423200 /nfs/dbraw/zinc/42/32/00/1068423200.db2.gz SZQXRRLSLNIVPC-SOLBZPMBSA-N 1 0 451.040 3.171 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001305261540 1068430665 /nfs/dbraw/zinc/43/06/65/1068430665.db2.gz BGQDOSJXNHLZBK-HXUWFJFHSA-N 1 0 453.635 3.408 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001305261968 1068432088 /nfs/dbraw/zinc/43/20/88/1068432088.db2.gz FUTUHAZZMXBINK-UXHICEINSA-N 1 0 488.080 3.120 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001305262153 1068432791 /nfs/dbraw/zinc/43/27/91/1068432791.db2.gz INPYLBUQZQCBCE-FQEVSTJZSA-N 1 0 460.667 3.106 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001305262201 1068432800 /nfs/dbraw/zinc/43/28/00/1068432800.db2.gz ALRCJSHMOWJFFY-HXUWFJFHSA-N 1 0 473.021 3.267 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001305262191 1068432902 /nfs/dbraw/zinc/43/29/02/1068432902.db2.gz ALRCJSHMOWJFFY-FQEVSTJZSA-N 1 0 473.021 3.267 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccccc2)C2CC2)C1 ZINC001303819656 1068434354 /nfs/dbraw/zinc/43/43/54/1068434354.db2.gz FMHJAUBTJMWVNB-PZJWPPBQSA-N 1 0 474.675 3.178 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccccc2)C2CC2)C1 ZINC001303819653 1068434421 /nfs/dbraw/zinc/43/44/21/1068434421.db2.gz FMHJAUBTJMWVNB-CTNGQTDRSA-N 1 0 474.675 3.178 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCCCCC2)C1 ZINC001305262729 1068435316 /nfs/dbraw/zinc/43/53/16/1068435316.db2.gz BDZNHGDOLNIZQG-JOCHJYFZSA-N 1 0 468.646 3.249 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001303827173 1068446418 /nfs/dbraw/zinc/44/64/18/1068446418.db2.gz OSCOXVZCRXOOMF-MOXQZVSFSA-N 1 0 492.665 3.174 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303828488 1068449766 /nfs/dbraw/zinc/44/97/66/1068449766.db2.gz AUQFUWPRCGLZJE-CTNGQTDRSA-N 1 0 474.675 3.147 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305266530 1068450079 /nfs/dbraw/zinc/45/00/79/1068450079.db2.gz LENCYIIQBCJCNW-IRLDBZIGSA-N 1 0 467.662 3.269 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001305267196 1068453329 /nfs/dbraw/zinc/45/33/29/1068453329.db2.gz MLEXZZKVKHVVLV-RTBURBONSA-N 1 0 474.600 3.374 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001305267753 1068456014 /nfs/dbraw/zinc/45/60/14/1068456014.db2.gz MVOLFZRTXWXPDS-QFIPXVFZSA-N 1 0 468.646 3.419 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001305269020 1068460027 /nfs/dbraw/zinc/46/00/27/1068460027.db2.gz QFTGEFLKXAWOSE-DEOSSOPVSA-N 1 0 475.641 3.259 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001305269183 1068460826 /nfs/dbraw/zinc/46/08/26/1068460826.db2.gz TZHFELJGBXPKLK-RPWUZVMVSA-N 1 0 482.673 3.359 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CC1(C)C ZINC001303833406 1068461436 /nfs/dbraw/zinc/46/14/36/1068461436.db2.gz HBRZUGOZEWKXCB-ZJOUEHCJSA-N 1 0 480.723 3.415 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H]1CCCSC1 ZINC001303836210 1068465769 /nfs/dbraw/zinc/46/57/69/1068465769.db2.gz JTKNLCLKEPNFAY-TZIWHRDSSA-N 1 0 498.763 3.124 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@H](CC)c3ccccc3)n2CC[NH+]2CCSCC2)C1 ZINC001305270653 1068466105 /nfs/dbraw/zinc/46/61/05/1068466105.db2.gz QDWYLSXNRMEULC-FCHUYYIVSA-N 1 0 470.687 3.364 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1Cc1ccc(F)cc1 ZINC001303836762 1068466384 /nfs/dbraw/zinc/46/63/84/1068466384.db2.gz PTSINNMDIWBJPT-IBGZPJMESA-N 1 0 492.665 3.168 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001303839726 1068469133 /nfs/dbraw/zinc/46/91/33/1068469133.db2.gz PCWIBYYSTUVXLR-NQIIRXRSSA-N 1 0 492.665 3.070 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001305271805 1068469771 /nfs/dbraw/zinc/46/97/71/1068469771.db2.gz TVDQYGMOVHLFDC-FNAHDJPLSA-N 1 0 460.667 3.035 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001305271651 1068469826 /nfs/dbraw/zinc/46/98/26/1068469826.db2.gz VGDFNQLHHLBLLJ-DHIUTWEWSA-N 1 0 452.647 3.433 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303843151 1068472809 /nfs/dbraw/zinc/47/28/09/1068472809.db2.gz VJEGPTACNRMZGP-VQTJNVASSA-N 1 0 466.696 3.313 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001305272877 1068473445 /nfs/dbraw/zinc/47/34/45/1068473445.db2.gz VLYVJCMSNLKAQS-LEWJYISDSA-N 1 0 454.619 3.145 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303844645 1068476506 /nfs/dbraw/zinc/47/65/06/1068476506.db2.gz TVGUCRWTBMNWQJ-KRWDZBQOSA-N 1 0 495.093 3.369 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001303845331 1068479312 /nfs/dbraw/zinc/47/93/12/1068479312.db2.gz MSRNBEOTDWTVCZ-CNNODRBYSA-N 1 0 474.675 3.156 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001303851001 1068487348 /nfs/dbraw/zinc/48/73/48/1068487348.db2.gz ARILEGJTGSVHHB-CRAIPNDOSA-N 1 0 494.712 3.267 20 0 JGADRO CC(C)[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001303851109 1068487890 /nfs/dbraw/zinc/48/78/90/1068487890.db2.gz BSFYMUQWDPBVJT-SLFFLAALSA-N 1 0 478.663 3.333 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001303851234 1068488570 /nfs/dbraw/zinc/48/85/70/1068488570.db2.gz DFHLBJVDBVDCLC-HSALFYBXSA-N 1 0 478.663 3.477 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCCc1ccccc1 ZINC001303851540 1068489678 /nfs/dbraw/zinc/48/96/78/1068489678.db2.gz FKGIIIZLMLLPOQ-HXUWFJFHSA-N 1 0 476.691 3.222 20 0 JGADRO CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001305287997 1068490194 /nfs/dbraw/zinc/49/01/94/1068490194.db2.gz NJVCQXFEWVADMT-UHFFFAOYSA-N 1 0 467.662 3.095 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC001303851622 1068490312 /nfs/dbraw/zinc/49/03/12/1068490312.db2.gz GQAZVYPOZVUZNP-JBACZVJFSA-N 1 0 474.675 3.003 20 0 JGADRO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001305288245 1068490779 /nfs/dbraw/zinc/49/07/79/1068490779.db2.gz MIUGYJGATNXTME-VWLOTQADSA-N 1 0 489.064 3.477 20 0 JGADRO 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1069034556 /nfs/dbraw/zinc/03/45/56/1069034556.db2.gz RGTBVKQHIOYQLG-NOZRDPDXSA-N 1 0 495.716 3.295 20 0 JGADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1Cc1ccn(C)n1)c1ccccc1 ZINC001305679340 1069036571 /nfs/dbraw/zinc/03/65/71/1069036571.db2.gz XFDQMMRFTPBFEL-DHIUTWEWSA-N 1 0 451.619 3.149 20 0 JGADRO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1Cc1ccn(C)n1)c1ccccc1 ZINC001305679342 1069036597 /nfs/dbraw/zinc/03/65/97/1069036597.db2.gz XFDQMMRFTPBFEL-PKTZIBPZSA-N 1 0 451.619 3.149 20 0 JGADRO CC[C@@H](c1nnc(Nc2ccn(C)n2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681857 1069040199 /nfs/dbraw/zinc/04/01/99/1069040199.db2.gz DRGWDSCZUNUARZ-RTWAWAEBSA-N 1 0 464.618 3.240 20 0 JGADRO CC[C@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC001305682040 1069040474 /nfs/dbraw/zinc/04/04/74/1069040474.db2.gz MJKITBOZQXDARC-UNMCSNQZSA-N 1 0 459.660 3.319 20 0 JGADRO CCC(CC)(Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)OC ZINC001305696124 1069069417 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/nfs/dbraw/zinc/09/14/82/1069091482.db2.gz NCTNHTVHOVDYGX-IBGZPJMESA-N 1 0 494.482 3.494 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1)[NH+](C)C ZINC001305704975 1069092408 /nfs/dbraw/zinc/09/24/08/1069092408.db2.gz HIRASSKAALIBND-QFIPXVFZSA-N 1 0 470.666 3.026 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)[NH+]1CCOCC1 ZINC001305705066 1069093101 /nfs/dbraw/zinc/09/31/01/1069093101.db2.gz ILTVDGXMCXBUAF-YADHBBJMSA-N 1 0 462.683 3.280 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001305705474 1069093393 /nfs/dbraw/zinc/09/33/93/1069093393.db2.gz JLHKXSHZRSWOST-QFIPXVFZSA-N 1 0 453.639 3.158 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1)[NH+]1CCOCC1 ZINC001305705672 1069094111 /nfs/dbraw/zinc/09/41/11/1069094111.db2.gz QLWGKJRBLAOENR-RUZDIDTESA-N 1 0 486.636 3.392 20 0 JGADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+]1CCOCC1 ZINC001305706479 1069095120 /nfs/dbraw/zinc/09/51/20/1069095120.db2.gz VCQLTNBPEHLABB-NQIIRXRSSA-N 1 0 461.680 3.063 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001305706122 1069095326 /nfs/dbraw/zinc/09/53/26/1069095326.db2.gz AXZHJICQNWNYPK-QHCPKHFHSA-N 1 0 486.636 3.313 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C)[NH+](C)C ZINC001305706592 1069095926 /nfs/dbraw/zinc/09/59/26/1069095926.db2.gz NORASXYYOXSIRO-PGRDOPGGSA-N 1 0 456.635 3.377 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)[NH+](C)C ZINC001305706888 1069096843 /nfs/dbraw/zinc/09/68/43/1069096843.db2.gz CXNDZISPYOCGKL-JPYJTQIMSA-N 1 0 476.025 3.391 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@](C)(CC)C1)[NH+](C)C ZINC001305707423 1069098551 /nfs/dbraw/zinc/09/85/51/1069098551.db2.gz FICOJKGNORRNTE-RCZVLFRGSA-N 1 0 481.649 3.293 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)[NH+](C)C ZINC001305707797 1069099410 /nfs/dbraw/zinc/09/94/10/1069099410.db2.gz GVRPRWGFCVNSHS-QRVBRYPASA-N 1 0 451.015 3.210 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001305708608 1069101163 /nfs/dbraw/zinc/10/11/63/1069101163.db2.gz WOFIWVPMMHEVBS-DENIHFKCSA-N 1 0 456.635 3.481 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)[NH+](C)C ZINC001305708667 1069101216 /nfs/dbraw/zinc/10/12/16/1069101216.db2.gz XLVSJNJAOCPITQ-FYYLOGMGSA-N 1 0 468.650 3.060 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)[NH+](C)C ZINC001305708674 1069101999 /nfs/dbraw/zinc/10/19/99/1069101999.db2.gz XLVSJNJAOCPITQ-JTHBVZDNSA-N 1 0 468.650 3.060 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001305708829 1069102134 /nfs/dbraw/zinc/10/21/34/1069102134.db2.gz ZABJGSUIWUTTIL-CTNGQTDRSA-N 1 0 479.633 3.019 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C)[NH+]1CCOCC1 ZINC001305709127 1069102604 /nfs/dbraw/zinc/10/26/04/1069102604.db2.gz ACBXPRRZIDPTMK-XZOQPEGZSA-N 1 0 468.646 3.311 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001305709077 1069102617 /nfs/dbraw/zinc/10/26/17/1069102617.db2.gz ZVUYEFAVQITBDU-QFIPXVFZSA-N 1 0 470.666 3.026 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+](C)C ZINC001305709040 1069102653 /nfs/dbraw/zinc/10/26/53/1069102653.db2.gz MHXURAHADQKCKV-PMOQBDJRSA-N 1 0 498.672 3.386 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305709313 1069104062 /nfs/dbraw/zinc/10/40/62/1069104062.db2.gz OPQWKFNERUNWQA-GGAORHGYSA-N 1 0 485.629 3.090 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305709408 1069104147 /nfs/dbraw/zinc/10/41/47/1069104147.db2.gz PCISPGIZQRZDGJ-NFBKMPQASA-N 1 0 484.670 3.483 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001305709602 1069104725 /nfs/dbraw/zinc/10/47/25/1069104725.db2.gz QOHPBRVOOHGAAZ-NZQKXSOJSA-N 1 0 484.670 3.483 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1)[NH+](C)C ZINC001305709615 1069104735 /nfs/dbraw/zinc/10/47/35/1069104735.db2.gz QQZDQWWKFNJKDK-DHLKQENFSA-N 1 0 493.656 3.201 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305709607 1069104853 /nfs/dbraw/zinc/10/48/53/1069104853.db2.gz QOLYMLYQSPYQQE-DEOSSOPVSA-N 1 0 499.679 3.195 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[C@@H](OC)C1)[NH+](C)C ZINC001305709801 1069105435 /nfs/dbraw/zinc/10/54/35/1069105435.db2.gz GJMIJYADZDTSPM-KNQAVFIVSA-N 1 0 481.645 3.266 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001305709829 1069105543 /nfs/dbraw/zinc/10/55/43/1069105543.db2.gz GOTZQGJIMDRAQH-NZQKXSOJSA-N 1 0 473.710 3.045 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001305710122 1069106783 /nfs/dbraw/zinc/10/67/83/1069106783.db2.gz DPNHQINBVZYZRL-HSALFYBXSA-N 1 0 460.648 3.232 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](OC)C(C)(C)C1)[NH+](C)C ZINC001305710260 1069107298 /nfs/dbraw/zinc/10/72/98/1069107298.db2.gz IOGSSKZFUXBQFB-QUCCMNQESA-N 1 0 460.623 3.233 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)[NH+](C)C ZINC001305710366 1069107803 /nfs/dbraw/zinc/10/78/03/1069107803.db2.gz VLQLBMRWIIHWPJ-SESVDKBCSA-N 1 0 457.575 3.434 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001305710475 1069107850 /nfs/dbraw/zinc/10/78/50/1069107850.db2.gz HNWJNTXJXJWORA-DHIUTWEWSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC)CC1)[NH+]1CCOCC1 ZINC001305711349 1069110556 /nfs/dbraw/zinc/11/05/56/1069110556.db2.gz LHABPJZFCCOYKX-QFIPXVFZSA-N 1 0 476.666 3.036 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C2CCOCC2)C1)[NH+](C)C ZINC001305712264 1069112445 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BYPFMPXCDXAEEP-UHFFFAOYSA-N 1 0 461.680 3.479 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001305758575 1069217044 /nfs/dbraw/zinc/21/70/44/1069217044.db2.gz KCBCOBDBSMUWCU-QGZVFWFLSA-N 1 0 479.670 3.077 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001305758661 1069218637 /nfs/dbraw/zinc/21/86/37/1069218637.db2.gz LDGQPCOZZLPYIT-SFHVURJKSA-N 1 0 493.697 3.419 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CC[NH+]1CCCC1 ZINC001305758804 1069219607 /nfs/dbraw/zinc/21/96/07/1069219607.db2.gz LYLZZASOXCZWEA-UHFFFAOYSA-N 1 0 486.636 3.005 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(cccc3OC)C2)n1CC1([NH+](C)C)CCC1 ZINC001305760141 1069223547 /nfs/dbraw/zinc/22/35/47/1069223547.db2.gz UGXUSFONBXGKTM-UHFFFAOYSA-N 1 0 454.619 3.252 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305762018 1069229555 /nfs/dbraw/zinc/22/95/55/1069229555.db2.gz VNMVXAIYCJXKIL-SQJMNOBHSA-N 1 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JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2CSC)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001305773414 1069252592 /nfs/dbraw/zinc/25/25/92/1069252592.db2.gz BLLCZAQJTVFHJF-FQEVSTJZSA-N 1 0 478.707 3.173 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305773262 1069252735 /nfs/dbraw/zinc/25/27/35/1069252735.db2.gz WLCIEXKSISSEGY-QFIPXVFZSA-N 1 0 499.708 3.368 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1(SC)CCOCC1 ZINC001305774577 1069255725 /nfs/dbraw/zinc/25/57/25/1069255725.db2.gz XGNQJOWVAZZTPB-UHFFFAOYSA-N 1 0 480.723 3.419 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305775461 1069257526 /nfs/dbraw/zinc/25/75/26/1069257526.db2.gz MRWJLCPFGFWZMZ-NHCUHLMSSA-N 1 0 456.639 3.146 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@@H]1OCCC1(C)C ZINC001305775766 1069258067 /nfs/dbraw/zinc/25/80/67/1069258067.db2.gz FIZADSORNIOEFN-NRFANRHFSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CC1(C)COC1 ZINC001305776004 1069258628 /nfs/dbraw/zinc/25/86/28/1069258628.db2.gz HIEZZRBUFCBRJJ-UHFFFAOYSA-N 1 0 472.609 3.084 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305776608 1069261055 /nfs/dbraw/zinc/26/10/55/1069261055.db2.gz OOZYTALROHPEDF-UHFFFAOYSA-N 1 0 485.633 3.344 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001305777466 1069263080 /nfs/dbraw/zinc/26/30/80/1069263080.db2.gz ISCFLWUZUIIKEK-HXUWFJFHSA-N 1 0 491.681 3.176 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305779938 1069269542 /nfs/dbraw/zinc/26/95/42/1069269542.db2.gz IUBLITIYRDOKDN-WOJBJXKFSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(C)c3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001305780893 1069272033 /nfs/dbraw/zinc/27/20/33/1069272033.db2.gz GRJRZCCCBXWWNK-HXUWFJFHSA-N 1 0 467.662 3.314 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1CC[NH+]1CCCC1 ZINC001305782891 1069275401 /nfs/dbraw/zinc/27/54/01/1069275401.db2.gz SLEPOENPNQKKAF-IBGZPJMESA-N 1 0 473.691 3.237 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001305783171 1069276263 /nfs/dbraw/zinc/27/62/63/1069276263.db2.gz IOXUSHADWYLJNP-GOSISDBHSA-N 1 0 471.625 3.145 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001305783125 1069276328 /nfs/dbraw/zinc/27/63/28/1069276328.db2.gz ICZKNJFUTRBDLC-HXUWFJFHSA-N 1 0 455.651 3.090 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001305784569 1069281380 /nfs/dbraw/zinc/28/13/80/1069281380.db2.gz YEBGRLLMZMBATJ-FQEVSTJZSA-N 1 0 471.625 3.147 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001305784570 1069281451 /nfs/dbraw/zinc/28/14/51/1069281451.db2.gz YEBGRLLMZMBATJ-HXUWFJFHSA-N 1 0 471.625 3.147 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H](C)[NH+](C)C ZINC001305784887 1069282877 /nfs/dbraw/zinc/28/28/77/1069282877.db2.gz ZSMOBVKZOYCKQE-HNNXBMFYSA-N 1 0 497.475 3.175 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@@](C)(O)C1CC1 ZINC001305784969 1069283335 /nfs/dbraw/zinc/28/33/35/1069283335.db2.gz CHQDLVJRVQYZKW-JBWFSBJDSA-N 1 0 460.667 3.058 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1ccnc(N2CCCCC2)c1 ZINC001305785179 1069284768 /nfs/dbraw/zinc/28/47/68/1069284768.db2.gz ATLASWMEMXQKLB-UHFFFAOYSA-N 1 0 496.704 3.408 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCOc1cccc(C)c1 ZINC001305785411 1069285728 /nfs/dbraw/zinc/28/57/28/1069285728.db2.gz FYIWUTQYQHOADT-NRFANRHFSA-N 1 0 498.672 3.273 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCc1nc(C)c(C)s1 ZINC001305786100 1069289129 /nfs/dbraw/zinc/28/91/29/1069289129.db2.gz PMGKFPYMYKLXQB-UHFFFAOYSA-N 1 0 461.680 3.291 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1Cc1cnn(CC)c1 ZINC001305788585 1069297252 /nfs/dbraw/zinc/29/72/52/1069297252.db2.gz XDYPVNGFNILBQQ-UHFFFAOYSA-N 1 0 478.645 3.092 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@]1(C)CCCO1 ZINC001305788950 1069298310 /nfs/dbraw/zinc/29/83/10/1069298310.db2.gz YBYFGMOOLFNXKR-VWLOTQADSA-N 1 0 460.667 3.468 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)C2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001305789235 1069299295 /nfs/dbraw/zinc/29/92/95/1069299295.db2.gz CHARBNHEYGBCPW-UHFFFAOYSA-N 1 0 469.634 3.123 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCC1CC[NH+](CC)CC1 ZINC001305792744 1069307132 /nfs/dbraw/zinc/30/71/32/1069307132.db2.gz VLPJROOSWNHZTH-SFHVURJKSA-N 1 0 474.572 3.086 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305793320 1069308750 /nfs/dbraw/zinc/30/87/50/1069308750.db2.gz YLERGTLFOVDBQB-UNVFRBQDSA-N 1 0 492.709 3.337 20 0 JGADRO c1sc2nc(CN3CCOCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c2c1-c1ccccc1 ZINC001164410108 718863748 /nfs/dbraw/zinc/86/37/48/718863748.db2.gz WYADUYNYIKIYNY-CTNGQTDRSA-N 1 0 465.623 3.005 20 0 JGADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164425869 718915941 /nfs/dbraw/zinc/91/59/41/718915941.db2.gz WCTNXQZADSZBDJ-BCHFMIIMSA-N 1 0 485.698 3.387 20 0 JGADRO C(c1nc2sc3c(c2c(N2CCCO[C@]4(C[NH2+]CCOC4)C2)n1)CCCC3)N1CCCCC1 ZINC001164426158 718916140 /nfs/dbraw/zinc/91/61/40/718916140.db2.gz XDEJTUXVVSEROY-RUZDIDTESA-N 1 0 471.671 3.141 20 0 JGADRO C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164425868 718916442 /nfs/dbraw/zinc/91/64/42/718916442.db2.gz WCTNXQZADSZBDJ-AFMDSPMNSA-N 1 0 485.698 3.387 20 0 JGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(-n3c(C)nc4c3CC[NH2+]CC4)c2c1C ZINC001164428367 718949312 /nfs/dbraw/zinc/94/93/12/718949312.db2.gz KTZRIOCAKLNOLL-UHFFFAOYSA-N 1 0 468.627 3.345 20 0 JGADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164432384 718969009 /nfs/dbraw/zinc/96/90/09/718969009.db2.gz HCRJCNCWBPNRCJ-FCHUYYIVSA-N 1 0 495.933 3.167 20 0 JGADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164431865 718970614 /nfs/dbraw/zinc/97/06/14/718970614.db2.gz CDEPTEQPOZXCFI-HZPDHXFCSA-N 1 0 454.827 3.074 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C3(CC[C@]2(C(=O)OCC)C1)CC[NH2+]CC3 ZINC001164616196 719007211 /nfs/dbraw/zinc/00/72/11/719007211.db2.gz KNZUQZKLSSJGME-VFNWGFHPSA-N 1 0 486.947 3.001 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164613991 719007485 /nfs/dbraw/zinc/00/74/85/719007485.db2.gz BCLOMERHXYCZJN-ZHRRBRCNSA-N 1 0 483.991 3.424 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164616108 719008271 /nfs/dbraw/zinc/00/82/71/719008271.db2.gz KLEHCVPCXXUMSV-IERDGZPVSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164619922 719008397 /nfs/dbraw/zinc/00/83/97/719008397.db2.gz XODPAXXLDCMURB-QVKFZJNVSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001164616534 719009269 /nfs/dbraw/zinc/00/92/69/719009269.db2.gz KYKNKMSVUBIWOX-VFNWGFHPSA-N 1 0 465.932 3.372 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164614029 719009491 /nfs/dbraw/zinc/00/94/91/719009491.db2.gz BMODXIHDFLSFDU-QVKFZJNVSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164616630 719010058 /nfs/dbraw/zinc/01/00/58/719010058.db2.gz LFJKUINDKYAUFY-HRAATJIYSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164614192 719010762 /nfs/dbraw/zinc/01/07/62/719010762.db2.gz DHDQELQIFJMCBG-SZFUDVHCSA-N 1 0 476.927 3.085 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164618865 719011120 /nfs/dbraw/zinc/01/11/20/719011120.db2.gz UELQYFQISNNINA-VFNWGFHPSA-N 1 0 481.931 3.479 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164618294 719017789 /nfs/dbraw/zinc/01/77/89/719017789.db2.gz SAHSDGSBCOXKLK-NZSAHSFTSA-N 1 0 469.655 3.142 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC001164619767 719018588 /nfs/dbraw/zinc/01/85/88/719018588.db2.gz XAQPCPDJBNOIND-NEWSRXKRSA-N 1 0 451.596 3.150 20 0 JGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc(OC)c2)nnc1Cl ZINC001164615658 719019542 /nfs/dbraw/zinc/01/95/42/719019542.db2.gz JMPSNNRYXDQDRK-DOPJRALCSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccc(OC)cc2)nnc1Cl ZINC001164617472 719019675 /nfs/dbraw/zinc/01/96/75/719019675.db2.gz OIVRHWOVDMLPOZ-BVGQSLNGSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccccc2OC)nnc1Cl ZINC001164619257 719019760 /nfs/dbraw/zinc/01/97/60/719019760.db2.gz UWZUWDOFEYTDFO-ZLIFDBKOSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc(OC)c2)nnc1Cl ZINC001164615659 719019800 /nfs/dbraw/zinc/01/98/00/719019800.db2.gz JMPSNNRYXDQDRK-JEBQAFNWSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3CN(Cc3ccccc3)CC4)CC2)CC1 ZINC001164614525 719022717 /nfs/dbraw/zinc/02/27/17/719022717.db2.gz UJMLQUBBYHLLDZ-UHFFFAOYSA-N 1 0 463.626 3.279 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C(=O)NCc3ccccc3)CC2)CC1 ZINC001164614020 719022776 /nfs/dbraw/zinc/02/27/76/719022776.db2.gz LHYPOMXIFVKTLI-UHFFFAOYSA-N 1 0 450.583 3.256 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(Cl)nc3C(=O)OC)CC2)CC1 ZINC001164614825 719026061 /nfs/dbraw/zinc/02/60/61/719026061.db2.gz ZEIAIORDFPPPQQ-UHFFFAOYSA-N 1 0 459.921 3.310 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)ncc3C(=O)OC)CC2)CC1 ZINC001164616516 719031362 /nfs/dbraw/zinc/03/13/62/719031362.db2.gz FACZTWBUUOBJSN-UHFFFAOYSA-N 1 0 459.921 3.310 20 0 JGADRO CN(C)C(=O)CO[C@H]1CCC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)c2ccccc21 ZINC001164629725 719140203 /nfs/dbraw/zinc/14/02/03/719140203.db2.gz CRJSEPMXJCYSBI-DEOSSOPVSA-N 1 0 477.653 3.311 20 0 JGADRO O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C[C@H]2CCCO[C@@H]21 ZINC001164648209 719306101 /nfs/dbraw/zinc/30/61/01/719306101.db2.gz QNNNZHRQIQXOTE-BSIFCXSSSA-N 1 0 466.960 3.263 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)c3cnoc3C)C2)nc1 ZINC001164649297 719320989 /nfs/dbraw/zinc/32/09/89/719320989.db2.gz BZLCGWLRYZNSQO-FMRHZRETSA-N 1 0 453.587 3.339 20 0 JGADRO C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)c3ccccc3S(=O)(=O)N4Cc3ccccc3)n2)CC1 ZINC001164654111 719322607 /nfs/dbraw/zinc/32/26/07/719322607.db2.gz OODCCEXBHZRCGU-MHZLTWQESA-N 1 0 489.645 3.144 20 0 JGADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164658869 719354007 /nfs/dbraw/zinc/35/40/07/719354007.db2.gz KQXGCUJPGPVFFA-UHFFFAOYSA-N 1 0 473.625 3.302 20 0 JGADRO C[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc43)C[C@H]21 ZINC001164674333 719427377 /nfs/dbraw/zinc/42/73/77/719427377.db2.gz WHCDYXKMNUYMSD-YLJYHZDGSA-N 1 0 470.570 3.052 20 0 JGADRO COc1cnc(Cl)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680997 719657400 /nfs/dbraw/zinc/65/74/00/719657400.db2.gz KWVSYILAMFTWLV-QGZVFWFLSA-N 1 0 458.006 3.232 20 0 JGADRO COC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681057 719657680 /nfs/dbraw/zinc/65/76/80/719657680.db2.gz MBKFCPCWRSMINA-KRWDZBQOSA-N 1 0 486.016 3.010 20 0 JGADRO COc1cnc(SC)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681669 719658436 /nfs/dbraw/zinc/65/84/36/719658436.db2.gz PUNMAGLFYUVKLY-GOSISDBHSA-N 1 0 469.655 3.301 20 0 JGADRO CCOC(=O)c1cc(C)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681897 719663648 /nfs/dbraw/zinc/66/36/48/719663648.db2.gz SDIBPROSBPLREQ-HXUWFJFHSA-N 1 0 479.625 3.055 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4c3COC4)CC2)c2ccccc21 ZINC001164681781 719663750 /nfs/dbraw/zinc/66/37/50/719663750.db2.gz QUUFIOGXGYYSLW-KRWDZBQOSA-N 1 0 470.017 3.254 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4ncsc4n3)CC2)c2ccccc21 ZINC001164680068 719672622 /nfs/dbraw/zinc/67/26/22/719672622.db2.gz BFSBLGWKJCHKTE-QGZVFWFLSA-N 1 0 450.612 3.180 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)cc4c3CNC4=O)CC2)c2ccccc21 ZINC001164683091 719673014 /nfs/dbraw/zinc/67/30/14/719673014.db2.gz QSKCCESIRBIELR-QGZVFWFLSA-N 1 0 482.028 3.072 20 0 JGADRO CCCNC(=O)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164681943 719677813 /nfs/dbraw/zinc/67/78/13/719677813.db2.gz OLXSMCZMNXNOSM-QFIPXVFZSA-N 1 0 477.653 3.315 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(-c4nnco4)ccn3)CC2)c2ccccc21 ZINC001164685712 719679601 /nfs/dbraw/zinc/67/96/01/719679601.db2.gz VTSAKJOHNMRYAK-HXUWFJFHSA-N 1 0 460.582 3.225 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN([C@H](F)Oc3ccc(Cl)nn3)CC2)c2ccccc21 ZINC001164686468 719684270 /nfs/dbraw/zinc/68/42/70/719684270.db2.gz NBVFPQSVNYFIPE-HXOBKFHXSA-N 1 0 475.996 3.351 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)nc1 ZINC001164684373 719692079 /nfs/dbraw/zinc/69/20/79/719692079.db2.gz IGKJJEKYMJNTCQ-DENIHFKCSA-N 1 0 452.603 3.153 20 0 JGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164690130 719738600 /nfs/dbraw/zinc/73/86/00/719738600.db2.gz UDWPCRYAONXRNT-UHFFFAOYSA-N 1 0 482.698 3.347 20 0 JGADRO Cc1sc2nc(CN3CCOCC3)nc(N(c3ncccc3F)[C@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164690804 719760613 /nfs/dbraw/zinc/76/06/13/719760613.db2.gz ILXUEJSYVYUPAM-IQGLISFBSA-N 1 0 498.628 3.334 20 0 JGADRO COC(=O)C1CCN(c2nccnc2N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)CC1 ZINC001164691583 719811301 /nfs/dbraw/zinc/81/13/01/719811301.db2.gz IBGAGUUJGBOBFS-UHFFFAOYSA-N 1 0 470.643 3.266 20 0 JGADRO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)CC1 ZINC001164696236 719895437 /nfs/dbraw/zinc/89/54/37/719895437.db2.gz DGCQPLHQZXHDEH-UHFFFAOYSA-N 1 0 485.654 3.189 20 0 JGADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc2C1 ZINC001164707748 719909475 /nfs/dbraw/zinc/90/94/75/719909475.db2.gz XGTLLURIXASAGT-GOSISDBHSA-N 1 0 456.612 3.078 20 0 JGADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706875 719909527 /nfs/dbraw/zinc/90/95/27/719909527.db2.gz LFMBAIAQTLGSPL-OAHLLOKOSA-N 1 0 450.992 3.339 20 0 JGADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164804494 720052656 /nfs/dbraw/zinc/05/26/56/720052656.db2.gz LJDBIGCBSAFTST-DENIHFKCSA-N 1 0 479.959 3.308 20 0 JGADRO CCOC(=O)c1cnc(SC)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712134 720095112 /nfs/dbraw/zinc/09/51/12/720095112.db2.gz VUKMBGOZFZOAJT-IBGZPJMESA-N 1 0 471.627 3.278 20 0 JGADRO CCOC(=O)c1cnc(SC)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712136 720095801 /nfs/dbraw/zinc/09/58/01/720095801.db2.gz VUKMBGOZFZOAJT-LJQANCHMSA-N 1 0 471.627 3.278 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164712125 720103140 /nfs/dbraw/zinc/10/31/40/720103140.db2.gz VRKIRFFNVZPWGP-FQEVSTJZSA-N 1 0 461.566 3.304 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)C2 ZINC001164813765 720114146 /nfs/dbraw/zinc/11/41/46/720114146.db2.gz QKKQBWHIRJVJCJ-YZZKKUAISA-N 1 0 461.010 3.364 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164719469 720123961 /nfs/dbraw/zinc/12/39/61/720123961.db2.gz XKEFXCIKRJBTCH-MRXNPFEDSA-N 1 0 459.953 3.020 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(-c3ccccc3)n1)CC2 ZINC001164716270 720125474 /nfs/dbraw/zinc/12/54/74/720125474.db2.gz KBGJHWFYMMBKRG-QFIPXVFZSA-N 1 0 460.582 3.450 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(CO)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164714829 720132218 /nfs/dbraw/zinc/13/22/18/720132218.db2.gz ZNWZPIUERXANNI-QFIPXVFZSA-N 1 0 481.641 3.461 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(C)sc3c(N3CCOCC3)n1)C2 ZINC001164814275 720135169 /nfs/dbraw/zinc/13/51/69/720135169.db2.gz RRQOVMOMTJYAKV-NTKDMRAZSA-N 1 0 457.644 3.021 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(C(=O)NCC(C)C)ccc31)C2 ZINC001164811078 720148132 /nfs/dbraw/zinc/14/81/32/720148132.db2.gz LFUWZKSVLUYJHS-LVXARBLLSA-N 1 0 451.615 3.200 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164714042 720148400 /nfs/dbraw/zinc/14/84/00/720148400.db2.gz VNXIFSYWUGQANE-JOCHJYFZSA-N 1 0 464.614 3.052 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(/C=C/C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815990 720149135 /nfs/dbraw/zinc/14/91/35/720149135.db2.gz JOVIDIWPKLYGOY-GKLYVUGTSA-N 1 0 484.641 3.437 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(/C=C/C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815991 720149456 /nfs/dbraw/zinc/14/94/56/720149456.db2.gz JOVIDIWPKLYGOY-PFVHZJSWSA-N 1 0 484.641 3.437 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001164818044 720158865 /nfs/dbraw/zinc/15/88/65/720158865.db2.gz RIXBDKYHXNYXLP-OSPHWJPCSA-N 1 0 456.591 3.490 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@@]34CCN(C)C4=O)CC2)nc1 ZINC001164716485 720162616 /nfs/dbraw/zinc/16/26/16/720162616.db2.gz ZSVZJDXCRDDOBX-QDPGVEIFSA-N 1 0 496.700 3.451 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164815695 720169730 /nfs/dbraw/zinc/16/97/30/720169730.db2.gz IWTCCUCYMSJZPD-CCLHPLFOSA-N 1 0 497.709 3.197 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCOCC3)nc3sc(C)c(C)c31)C2 ZINC001164816290 720169756 /nfs/dbraw/zinc/16/97/56/720169756.db2.gz KUOKSLBEJPXCIH-HFZDXXHNSA-N 1 0 485.698 3.325 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccnc(Cl)c1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164713871 720169976 /nfs/dbraw/zinc/16/99/76/720169976.db2.gz MMDKUPGRIZLCRH-HNNXBMFYSA-N 1 0 461.344 3.278 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716322 720173629 /nfs/dbraw/zinc/17/36/29/720173629.db2.gz ZJAIMPCLEHJGAX-HNNXBMFYSA-N 1 0 483.976 3.234 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715446 720175991 /nfs/dbraw/zinc/17/59/91/720175991.db2.gz CJUBLSYBPMYTKQ-IBGZPJMESA-N 1 0 477.947 3.173 20 0 JGADRO Cn1nnc2c1CCN(c1cc(Cl)nc(Cc3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717040 720178021 /nfs/dbraw/zinc/17/80/21/720178021.db2.gz JOXUCDOCCZZLMO-FQEVSTJZSA-N 1 0 468.005 3.066 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)ncc1OCc1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719913 720183467 /nfs/dbraw/zinc/18/34/67/720183467.db2.gz YSYAFTPGLFBTGD-HXUWFJFHSA-N 1 0 484.004 3.054 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001164817737 720189003 /nfs/dbraw/zinc/18/90/03/720189003.db2.gz QCQMEOOQVWJBQA-WNCULLNHSA-N 1 0 463.626 3.165 20 0 JGADRO Cn1nnc2c1CCN(c1ncnc3cc(Cl)c(Cl)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164713433 720190619 /nfs/dbraw/zinc/19/06/19/720190619.db2.gz CHSLQVJMDLYTFW-IBGZPJMESA-N 1 0 462.385 3.281 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(N(C)Cc3ccc(OC)cc3)n1)C2 ZINC001164819195 720192289 /nfs/dbraw/zinc/19/22/89/720192289.db2.gz WLPVANXCMFGYIA-ATIYNZHBSA-N 1 0 451.615 3.306 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713343 720193020 /nfs/dbraw/zinc/19/30/20/720193020.db2.gz BILOCDLNHLWYPE-MRXNPFEDSA-N 1 0 465.936 3.106 20 0 JGADRO CSc1cnc(Cl)c(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164718296 720193585 /nfs/dbraw/zinc/19/35/85/720193585.db2.gz ZITJTOJRXHCQNR-KRWDZBQOSA-N 1 0 472.993 3.347 20 0 JGADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718141 720194277 /nfs/dbraw/zinc/19/42/77/720194277.db2.gz XNGYVQOXFMZEFK-GOSISDBHSA-N 1 0 458.998 3.010 20 0 JGADRO Cn1nnc2c1CCN(c1nc(-c3cccnc3)nc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715198 720196128 /nfs/dbraw/zinc/19/61/28/720196128.db2.gz JTGUOGBTMXHVCK-HSZRJFAPSA-N 1 0 470.581 3.037 20 0 JGADRO Cn1nnc2c1CCN(c1nc(-c3ccccn3)nc3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717627 720197424 /nfs/dbraw/zinc/19/74/24/720197424.db2.gz VLLXFNDIAIGSQC-QHCPKHFHSA-N 1 0 470.581 3.037 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716051 720206471 /nfs/dbraw/zinc/20/64/71/720206471.db2.gz ADNYKBSZVRAWMF-SFHVURJKSA-N 1 0 466.964 3.200 20 0 JGADRO Cn1nnc2c1CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717230 720207434 /nfs/dbraw/zinc/20/74/34/720207434.db2.gz GWZLROPFRFMNTQ-INIZCTEOSA-N 1 0 475.808 3.043 20 0 JGADRO CSc1nc(Cl)cc(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813420 720212756 /nfs/dbraw/zinc/21/27/56/720212756.db2.gz PKEONXHCBGQGBB-UHFFFAOYSA-N 1 0 458.966 3.204 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)CCC2 ZINC001164813513 720217756 /nfs/dbraw/zinc/21/77/56/720217756.db2.gz NKVXQJBXYRYVES-UHFFFAOYSA-N 1 0 493.015 3.335 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1ccn3Cc1cccc(F)c1)CCC2 ZINC001164812138 720225009 /nfs/dbraw/zinc/22/50/09/720225009.db2.gz FBNIPJHIPYUIPC-UHFFFAOYSA-N 1 0 475.572 3.426 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CCC2 ZINC001164816096 720247059 /nfs/dbraw/zinc/24/70/59/720247059.db2.gz GPYLPIKYVANJNN-UHFFFAOYSA-N 1 0 483.976 3.178 20 0 JGADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825914 720295836 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CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844150 720608246 /nfs/dbraw/zinc/60/82/46/720608246.db2.gz ZCICWALFWVJHLE-QLFBSQMISA-N 1 0 450.925 3.077 20 0 JGADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164840756 720610915 /nfs/dbraw/zinc/61/09/15/720610915.db2.gz QPPRITFYDACQPO-NNXSRULWSA-N 1 0 474.675 3.123 20 0 JGADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164840759 720612296 /nfs/dbraw/zinc/61/22/96/720612296.db2.gz QPPRITFYDACQPO-OQLXKQOESA-N 1 0 474.675 3.123 20 0 JGADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746247 720644386 /nfs/dbraw/zinc/64/43/86/720644386.db2.gz WJUNUQIXJQJCGM-RTWAWAEBSA-N 1 0 484.560 3.349 20 0 JGADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C(=O)OCC ZINC001164839181 720649552 /nfs/dbraw/zinc/64/95/52/720649552.db2.gz JCVYNYQNQVRDIV-QKNQBKEWSA-N 1 0 469.586 3.009 20 0 JGADRO CCOC(=O)c1nnc(SC)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840486 720676829 /nfs/dbraw/zinc/67/68/29/720676829.db2.gz FLFJNXXESXFUCN-GOSISDBHSA-N 1 0 457.600 3.030 20 0 JGADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3scnc3c(N3CCOCC3)n1)CC2 ZINC001164842632 720677249 /nfs/dbraw/zinc/67/72/49/720677249.db2.gz LWWBMUODAOOTAV-FQEVSTJZSA-N 1 0 480.638 3.183 20 0 JGADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843863 720691610 /nfs/dbraw/zinc/69/16/10/720691610.db2.gz RMLFAQKHMBSYGN-IBGZPJMESA-N 1 0 458.990 3.496 20 0 JGADRO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737316 720696913 /nfs/dbraw/zinc/69/69/13/720696913.db2.gz FQIPRBUGMZSPDM-ROUUACIJSA-N 1 0 468.920 3.258 20 0 JGADRO c1cc(C2OCCCO2)ccc1-c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746885 720740497 /nfs/dbraw/zinc/74/04/97/720740497.db2.gz YVXOSQMETSTLHP-DHIUTWEWSA-N 1 0 459.550 3.316 20 0 JGADRO c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164837935 720740505 /nfs/dbraw/zinc/74/05/05/720740505.db2.gz OXKLHFFWSGPWRL-UHFFFAOYSA-N 1 0 493.681 3.261 20 0 JGADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745277 720757538 /nfs/dbraw/zinc/75/75/38/720757538.db2.gz UVCIWAMMSANEGT-HOTGVXAUSA-N 1 0 453.930 3.197 20 0 JGADRO c1ncc(O[C@H]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)CC[N@@H+]3C2)cn1 ZINC001164738611 720761551 /nfs/dbraw/zinc/76/15/51/720761551.db2.gz GIVGRAXOVUMQNG-OALUTQOASA-N 1 0 491.665 3.298 20 0 JGADRO c1cnc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C3)n2)CCCC4)cn1 ZINC001164750319 720790315 /nfs/dbraw/zinc/79/03/15/720790315.db2.gz VDVROHJLHXZNIY-DLBZAZTESA-N 1 0 486.605 3.159 20 0 JGADRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164748720 720800208 /nfs/dbraw/zinc/80/02/08/720800208.db2.gz RFBPSQHIYVDWAC-LEWJYISDSA-N 1 0 450.974 3.470 20 0 JGADRO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748694 720803528 /nfs/dbraw/zinc/80/35/28/720803528.db2.gz RATNGUCPXJFXFG-CVEARBPZSA-N 1 0 454.918 3.063 20 0 JGADRO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164750528 720804530 /nfs/dbraw/zinc/80/45/30/720804530.db2.gz VVWPEXXAWLJRAQ-QZTJIDSGSA-N 1 0 486.967 3.386 20 0 JGADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164746120 720809368 /nfs/dbraw/zinc/80/93/68/720809368.db2.gz LUQWBGYJMFQGIP-XGHQBKJUSA-N 1 0 453.978 3.263 20 0 JGADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742418 720812282 /nfs/dbraw/zinc/81/22/82/720812282.db2.gz CYGSETXYNXXADN-NLWGTHIKSA-N 1 0 458.994 3.191 20 0 JGADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164745480 720813233 /nfs/dbraw/zinc/81/32/33/720813233.db2.gz KPEOFWRTQXXSRB-BZUAXINKSA-N 1 0 469.993 3.368 20 0 JGADRO 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CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164773362 721195297 /nfs/dbraw/zinc/19/52/97/721195297.db2.gz WPVSESIEEGEPIL-MSOLQXFVSA-N 1 0 454.600 3.177 20 0 JGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C[C@@H]3C2)cn1 ZINC001164761374 721243380 /nfs/dbraw/zinc/24/33/80/721243380.db2.gz HXGZTWTZEIQJPB-CVEARBPZSA-N 1 0 454.909 3.064 20 0 JGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4c(Cl)nnc(Cl)c4N4CCCCC4)C[C@H]3C2)cn1 ZINC001164767274 721249750 /nfs/dbraw/zinc/24/97/50/721249750.db2.gz WONKQJWGMBTNNI-DLBZAZTESA-N 1 0 450.418 3.466 20 0 JGADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC2)C1 ZINC001164868585 721271675 /nfs/dbraw/zinc/27/16/75/721271675.db2.gz DDUYKLCLEIKMRU-UHFFFAOYSA-N 1 0 466.960 3.440 20 0 JGADRO CSc1ccc(C(F)(F)N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1Cl ZINC001164875552 721278006 /nfs/dbraw/zinc/27/80/06/721278006.db2.gz WYPRLFWPKMLGMS-UHFFFAOYSA-N 1 0 462.994 3.009 20 0 JGADRO CCc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1 ZINC001164878623 721292629 /nfs/dbraw/zinc/29/26/29/721292629.db2.gz RONUGFONAQHCEB-UHFFFAOYSA-N 1 0 488.032 3.492 20 0 JGADRO O=S(=O)(c1ccccc1)N1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C1 ZINC001164877415 721310230 /nfs/dbraw/zinc/31/02/30/721310230.db2.gz IRCBKIABFQBMGY-ROUUACIJSA-N 1 0 494.995 3.414 20 0 JGADRO CCOC(=O)/C=C\c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164780810 721358034 /nfs/dbraw/zinc/35/80/34/721358034.db2.gz HTJXWJLDPSHIJG-NAFJXCGOSA-N 1 0 454.571 3.382 20 0 JGADRO O=C1CO[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2N1c1cccc(F)c1 ZINC001164881868 721363947 /nfs/dbraw/zinc/36/39/47/721363947.db2.gz GOFGHZUWPJYVNS-DQEYMECFSA-N 1 0 458.537 3.400 20 0 JGADRO Cn1cc(N2C[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)CC2=O)cn1 ZINC001164886046 721374000 /nfs/dbraw/zinc/37/40/00/721374000.db2.gz KCYXEHIBGFVBRE-NRFANRHFSA-N 1 0 462.932 3.024 20 0 JGADRO CS(=O)(=O)N1CCCC[C@]12CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164884115 721375265 /nfs/dbraw/zinc/37/52/65/721375265.db2.gz BWWHHUBPZQCWGU-RUZDIDTESA-N 1 0 454.640 3.424 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)C3)O2)CC1 ZINC001164884356 721384156 /nfs/dbraw/zinc/38/41/56/721384156.db2.gz AJRJYRLSFDHSSD-RDTXWAMCSA-N 1 0 450.361 3.094 20 0 JGADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889339 721385596 /nfs/dbraw/zinc/38/55/96/721385596.db2.gz LSFAXKPFGXRDEC-DNVCBOLYSA-N 1 0 462.010 3.162 20 0 JGADRO COCc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccccc2)n1 ZINC001164890926 721385806 /nfs/dbraw/zinc/38/58/06/721385806.db2.gz PICOSRBYXZXMQP-ZEQKJWHPSA-N 1 0 451.615 3.055 20 0 JGADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889337 721386045 /nfs/dbraw/zinc/38/60/45/721386045.db2.gz LSFAXKPFGXRDEC-BEFAXECRSA-N 1 0 462.010 3.162 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164892193 721395765 /nfs/dbraw/zinc/39/57/65/721395765.db2.gz SBORHFFKKCGHLU-KBXCAEBGSA-N 1 0 450.361 3.094 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C3)O2)CC1 ZINC001164887957 721396212 /nfs/dbraw/zinc/39/62/12/721396212.db2.gz IZMFMFAFSMKQTH-RBZFPXEDSA-N 1 0 486.835 3.145 20 0 JGADRO CCOC(=O)c1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2ccccc21 ZINC001164887166 721409798 /nfs/dbraw/zinc/40/97/98/721409798.db2.gz LHASBZUCSYKWDN-IBVKSMDESA-N 1 0 452.599 3.177 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5Cc4ccc(F)cc4)C3)O2)CC1 ZINC001164884590 721417307 /nfs/dbraw/zinc/41/73/07/721417307.db2.gz FCECOCUSVLXSQH-KCWPFWIISA-N 1 0 478.616 3.384 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Oc5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164883732 721421277 /nfs/dbraw/zinc/42/12/77/721421277.db2.gz BXTBBBKBQBQXRN-CVDCTZTESA-N 1 0 476.984 3.222 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164887255 721422586 /nfs/dbraw/zinc/42/25/86/721422586.db2.gz LQGZKBLEDDSEAN-XXBNENTESA-N 1 0 476.984 3.222 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164899504 721426077 /nfs/dbraw/zinc/42/60/77/721426077.db2.gz YSGCOGJCJMDBKE-RDGATRHJSA-N 1 0 456.034 3.486 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164891607 721428541 /nfs/dbraw/zinc/42/85/41/721428541.db2.gz HJFUKKPTUOUZFE-BEFAXECRSA-N 1 0 464.388 3.180 20 0 JGADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)n1 ZINC001164892192 721430129 /nfs/dbraw/zinc/43/01/29/721430129.db2.gz HRJPYIFUOWBPQJ-VGSWGCGISA-N 1 0 486.991 3.222 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccn5)nc5ccccc54)C3)O2)CC1 ZINC001164893154 721434306 /nfs/dbraw/zinc/43/43/06/721434306.db2.gz JKOBSZFMNMMPKB-IDISGSTGSA-N 1 0 458.610 3.457 20 0 JGADRO COc1ccc(Cc2c(C)nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2C)cc1 ZINC001164893722 721446383 /nfs/dbraw/zinc/44/63/83/721446383.db2.gz KDRLEORRQUYQHU-LSYYVWMOSA-N 1 0 479.669 3.458 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)C3)O2)CC1 ZINC001164889141 721447149 /nfs/dbraw/zinc/44/71/49/721447149.db2.gz NWBPIMQGECJUME-UTKZUKDTSA-N 1 0 487.979 3.137 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cncc(OCc5cccc(Cl)c5)n4)C3)O2)CC1 ZINC001164884950 721447187 /nfs/dbraw/zinc/44/71/87/721447187.db2.gz CZNFYEPKMYBXEK-WIOPSUGQSA-N 1 0 472.033 3.474 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164786605 721451301 /nfs/dbraw/zinc/45/13/01/721451301.db2.gz NFOHTSJZCUVHRH-QGZVFWFLSA-N 1 0 486.991 3.113 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1C(=O)OC)CC2 ZINC001164789299 721451417 /nfs/dbraw/zinc/45/14/17/721451417.db2.gz UOESIDQAXBXMIF-IBGZPJMESA-N 1 0 451.995 3.256 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164787738 721451626 /nfs/dbraw/zinc/45/16/26/721451626.db2.gz QAFCOMRGETVBLR-QHCPKHFHSA-N 1 0 470.658 3.442 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(Cl)(Cl)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164888988 721452851 /nfs/dbraw/zinc/45/28/51/721452851.db2.gz MWLUVHHTAKIBKP-MJGOQNOKSA-N 1 0 463.837 3.464 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164787597 721453108 /nfs/dbraw/zinc/45/31/08/721453108.db2.gz OSQJVLLMDMZSKR-HXUWFJFHSA-N 1 0 468.598 3.135 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3cc(OC)c(OC)cc3n1)CC2 ZINC001164787455 721459154 /nfs/dbraw/zinc/45/91/54/721459154.db2.gz QNUPQJAETANTDJ-FQEVSTJZSA-N 1 0 470.614 3.381 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3cnccc3cc1C(=O)OC)CC2 ZINC001164788483 721461386 /nfs/dbraw/zinc/46/13/86/721461386.db2.gz SWGJRRXTJJHYJQ-NRFANRHFSA-N 1 0 468.598 3.150 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(OC)cc(OC)c31)CC2 ZINC001164782738 721461449 /nfs/dbraw/zinc/46/14/49/721461449.db2.gz BGBDZOGQSOKBPU-HXUWFJFHSA-N 1 0 470.614 3.381 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164787566 721461771 /nfs/dbraw/zinc/46/17/71/721461771.db2.gz RLKPECNEIXYEQL-HXUWFJFHSA-N 1 0 460.619 3.166 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164791237 721468662 /nfs/dbraw/zinc/46/86/62/721468662.db2.gz VPDXHYTZLFTQHQ-OAQYLSRUSA-N 1 0 452.599 3.068 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)nc1 ZINC001164894631 721471441 /nfs/dbraw/zinc/47/14/41/721471441.db2.gz PKUFRONAXWFSIX-OAQYLSRUSA-N 1 0 476.581 3.119 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)nc(C(=O)OC)nc1Cl)CC2 ZINC001164790677 721473546 /nfs/dbraw/zinc/47/35/46/721473546.db2.gz UNTMGSZDHVFZPG-MRXNPFEDSA-N 1 0 487.428 3.304 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164786438 721473690 /nfs/dbraw/zinc/47/36/90/721473690.db2.gz BFUUWOFNQPWFID-PKOBYXMFSA-N 1 0 481.037 3.140 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2 ZINC001164786433 721473995 /nfs/dbraw/zinc/47/39/95/721473995.db2.gz BFUUWOFNQPWFID-MJGOQNOKSA-N 1 0 481.037 3.140 20 0 JGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164788071 721474137 /nfs/dbraw/zinc/47/41/37/721474137.db2.gz IBXXLNVANJTPOC-IBGZPJMESA-N 1 0 480.053 3.004 20 0 JGADRO O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21)N1CCCO1 ZINC001164793294 721484191 /nfs/dbraw/zinc/48/41/91/721484191.db2.gz UFONRTKDRBJQOR-YZGWKJHDSA-N 1 0 482.959 3.052 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc(-c4cc(Cl)ncn4)cc2)CC3)CC1 ZINC001164794780 721511418 /nfs/dbraw/zinc/51/14/18/721511418.db2.gz VULOSHLEULCWAT-UHFFFAOYSA-N 1 0 473.959 3.306 20 0 JGADRO 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CCc1ccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCC2CCOCC2)[NH+](C)C)cc1 ZINC001305920636 1069476396 /nfs/dbraw/zinc/47/63/96/1069476396.db2.gz TVWQZACDHTYPQX-XZOQPEGZSA-N 1 0 468.646 3.347 20 0 JGADRO CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)[NH+](C)C)cc1 ZINC001305921413 1069477509 /nfs/dbraw/zinc/47/75/09/1069477509.db2.gz YOPUIWRKSMUVBV-RDPSFJRHSA-N 1 0 491.640 3.406 20 0 JGADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCOC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001298212491 1064129140 /nfs/dbraw/zinc/12/91/40/1064129140.db2.gz RHRIAUIKWVGPKO-QFIPXVFZSA-N 1 0 468.646 3.167 20 0 JGADRO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(-c2cccnc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298219959 1064133577 /nfs/dbraw/zinc/13/35/77/1064133577.db2.gz HSUGUOXKPFHCMM-HSZRJFAPSA-N 1 0 487.580 3.131 20 0 JGADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc([C@H]2CCCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298222477 1064137274 /nfs/dbraw/zinc/13/72/74/1064137274.db2.gz RPMVPBIDNXLSHI-SBUREZEXSA-N 1 0 493.077 3.338 20 0 JGADRO 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CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001298280636 1064167618 /nfs/dbraw/zinc/16/76/18/1064167618.db2.gz HWRCKKNEWRPAHV-CABCVRRESA-N 1 0 477.363 3.117 20 0 JGADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298280588 1064167734 /nfs/dbraw/zinc/16/77/34/1064167734.db2.gz HKZSCXSVSHGXGR-LIRRHRJNSA-N 1 0 470.437 3.211 20 0 JGADRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001298281760 1064168394 /nfs/dbraw/zinc/16/83/94/1064168394.db2.gz RFKBSXBXVHWCBP-CYBMUJFWSA-N 1 0 458.399 3.145 20 0 JGADRO O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NC[C@@H]1CCCC[N@H+]1CCO ZINC001298289725 1064175416 /nfs/dbraw/zinc/17/54/16/1064175416.db2.gz USGKXLDSTPYXDV-IBGZPJMESA-N 1 0 456.974 3.232 20 0 JGADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001298292387 1064177554 /nfs/dbraw/zinc/17/75/54/1064177554.db2.gz MRDWTDVCBBTQIB-RBUKOAKNSA-N 1 0 454.600 3.229 20 0 JGADRO 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C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)F)CC1 ZINC001298350454 1064214401 /nfs/dbraw/zinc/21/44/01/1064214401.db2.gz JPPWCCPBZDNCQR-UHFFFAOYSA-N 1 0 464.536 3.425 20 0 JGADRO CN(Cc1ccccn1)c1nnc(COc2ccccc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298375514 1064224111 /nfs/dbraw/zinc/22/41/11/1064224111.db2.gz GVXIFGXNUJLZKD-QHCPKHFHSA-N 1 0 456.591 3.465 20 0 JGADRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)[C@@H]2C1 ZINC001298378288 1064225341 /nfs/dbraw/zinc/22/53/41/1064225341.db2.gz XIZIYSVASVMQQB-NFBKMPQASA-N 1 0 455.624 3.239 20 0 JGADRO CN(Cc1cccs1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)O ZINC001298389263 1064229151 /nfs/dbraw/zinc/22/91/51/1064229151.db2.gz AAEGESJNIKQYOM-UHFFFAOYSA-N 1 0 454.644 3.112 20 0 JGADRO CN(Cc1cnn(C)c1)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CC=CCC1 ZINC001298391028 1064229951 /nfs/dbraw/zinc/22/99/51/1064229951.db2.gz IGEGYTUGZGQKSU-UHFFFAOYSA-N 1 0 462.421 3.401 20 0 JGADRO 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CN(Cc1nccs1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001298462174 1064263119 /nfs/dbraw/zinc/26/31/19/1064263119.db2.gz KQJRMWLHXQYRPL-CALCHBBNSA-N 1 0 461.636 3.238 20 0 JGADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(Cl)c2)n1CC[NH+]1CCSCC1 ZINC001298462208 1064263287 /nfs/dbraw/zinc/26/32/87/1064263287.db2.gz LOUMXFDLNQSMLS-UHFFFAOYSA-N 1 0 482.992 3.140 20 0 JGADRO CN(Cc1ncnn1CC(F)F)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001298462399 1064263755 /nfs/dbraw/zinc/26/37/55/1064263755.db2.gz PYDVGTFTWXOCEA-MRXNPFEDSA-N 1 0 462.549 3.499 20 0 JGADRO CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc[nH]2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001298462518 1064264196 /nfs/dbraw/zinc/26/41/96/1064264196.db2.gz RPNAFABBBGWFNR-OAHLLOKOSA-N 1 0 461.546 3.131 20 0 JGADRO CN(CC1CC(F)(F)C1)c1nnc(COc2ccccc2F)n1CCC[NH+]1CCC(O)CC1 ZINC001298479537 1064272364 /nfs/dbraw/zinc/27/23/64/1064272364.db2.gz UMHYLIDPQPVYRQ-UHFFFAOYSA-N 1 0 467.536 3.325 20 0 JGADRO CN(CC1CC(F)C1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001298486752 1064275411 /nfs/dbraw/zinc/27/54/11/1064275411.db2.gz FVFLOXXZYDFSDW-MHJFOBGBSA-N 1 0 480.629 3.257 20 0 JGADRO CN(CC1CC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298517019 1064286923 /nfs/dbraw/zinc/28/69/23/1064286923.db2.gz LBBHNJLYRCVFJQ-FQEVSTJZSA-N 1 0 475.682 3.222 20 0 JGADRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cnn(-c4ccccc4)c3I)C2)C1 ZINC001298518209 1064287558 /nfs/dbraw/zinc/28/75/58/1064287558.db2.gz FZIIGDIQCIZCDH-IBGZPJMESA-N 1 0 450.324 3.035 20 0 JGADRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)c2)CC1 ZINC001298517396 1064287791 /nfs/dbraw/zinc/28/77/91/1064287791.db2.gz AKRRFMITGHXBKY-QFIPXVFZSA-N 1 0 456.631 3.486 20 0 JGADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)CC3CCCC3)n2CCC[NH+]2CCCC2)c1 ZINC001298522023 1064290496 /nfs/dbraw/zinc/29/04/96/1064290496.db2.gz HMTFDBARRWGQII-UHFFFAOYSA-N 1 0 474.675 3.308 20 0 JGADRO 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CN(CCc1nccs1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298877472 1064682403 /nfs/dbraw/zinc/68/24/03/1064682403.db2.gz GBGWAPXDMDGPQF-XMMPIXPASA-N 1 0 454.644 3.445 20 0 JGADRO CN(Cc1ccc(Br)o1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298878159 1064683208 /nfs/dbraw/zinc/68/32/08/1064683208.db2.gz JZLISFHDCDOBLT-LJQANCHMSA-N 1 0 481.782 3.052 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001298877791 1064683267 /nfs/dbraw/zinc/68/32/67/1064683267.db2.gz IPDWCWUHBNZOFR-QFIPXVFZSA-N 1 0 451.974 3.198 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccc3Br)nnc2N2CCO[C@H](C(C)(C)C)C2)C1 ZINC001298878207 1064683375 /nfs/dbraw/zinc/68/33/75/1064683375.db2.gz KMAIXIXLEIFBSU-PGRDOPGGSA-N 1 0 478.435 3.026 20 0 JGADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(-c2cccnc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298878777 1064684182 /nfs/dbraw/zinc/68/41/82/1064684182.db2.gz MHLYMZOEFUHSQD-OAQYLSRUSA-N 1 0 464.467 3.201 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001298880713 1064685719 /nfs/dbraw/zinc/68/57/19/1064685719.db2.gz XHWQUGPEFZKTKF-NRFANRHFSA-N 1 0 463.424 3.285 20 0 JGADRO CN(CCCc1ccccn1)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298880804 1064686642 /nfs/dbraw/zinc/68/66/42/1064686642.db2.gz ACXBGPXNEPQZBW-DEOSSOPVSA-N 1 0 471.005 3.041 20 0 JGADRO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298882150 1064688616 /nfs/dbraw/zinc/68/86/16/1064688616.db2.gz QIWQJHOHWNONPM-WIYYLYMNSA-N 1 0 453.509 3.242 20 0 JGADRO CN(Cc1cscn1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298882239 1064688675 /nfs/dbraw/zinc/68/86/75/1064688675.db2.gz SLGOTVXJSYIUPZ-FQEVSTJZSA-N 1 0 465.048 3.383 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001298881774 1064688721 /nfs/dbraw/zinc/68/87/21/1064688721.db2.gz KHQQFADAKNUJJO-NVQXNPDNSA-N 1 0 455.647 3.304 20 0 JGADRO CN(CCc1ccc(Br)cc1)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298882817 1064689337 /nfs/dbraw/zinc/68/93/37/1064689337.db2.gz ZXBJUNUOEVHURE-JOCHJYFZSA-N 1 0 464.452 3.375 20 0 JGADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCSc2ccccc2)CC1 ZINC001298885679 1064691993 /nfs/dbraw/zinc/69/19/93/1064691993.db2.gz ATVRHCDRFKXJOY-FQEVSTJZSA-N 1 0 456.660 3.111 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001298885970 1064692061 /nfs/dbraw/zinc/69/20/61/1064692061.db2.gz CEZPBTKUNJTSKK-ACRUOGEOSA-N 1 0 474.694 3.424 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001298885660 1064692152 /nfs/dbraw/zinc/69/21/52/1064692152.db2.gz APHOIHFUQJWXPJ-BZSNNMDCSA-N 1 0 486.583 3.145 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001298886177 1064692813 /nfs/dbraw/zinc/69/28/13/1064692813.db2.gz NOTMSUAMRYZMGD-VQIMIIECSA-N 1 0 466.051 3.342 20 0 JGADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(C)(F)F)CC1 ZINC001298886164 1064692948 /nfs/dbraw/zinc/69/29/48/1064692948.db2.gz DQGPQPKBJKZAGW-IBGZPJMESA-N 1 0 496.990 3.299 20 0 JGADRO CN(C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001298886720 1064694901 /nfs/dbraw/zinc/69/49/01/1064694901.db2.gz RLWWYROKTRYNLJ-NRFANRHFSA-N 1 0 492.665 3.065 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001298887899 1064697439 /nfs/dbraw/zinc/69/74/39/1064697439.db2.gz YJMXJHIEAMXFHL-SFHVURJKSA-N 1 0 451.541 3.145 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C ZINC001298890021 1064700284 /nfs/dbraw/zinc/70/02/84/1064700284.db2.gz YSMBHJSTDJHSAY-JKSUJKDBSA-N 1 0 458.573 3.201 20 0 JGADRO C[N@@H+]1CCN(CCn2c(C3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001298897333 1064703547 /nfs/dbraw/zinc/70/35/47/1064703547.db2.gz MGPMPCYPMBIJMX-FQEVSTJZSA-N 1 0 475.682 3.065 20 0 JGADRO C[N@@H+]1CCN(CCn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC001298897396 1064703951 /nfs/dbraw/zinc/70/39/51/1064703951.db2.gz MPJXMSUBLUJIKZ-UHFFFAOYSA-N 1 0 475.682 3.019 20 0 JGADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001298901563 1064705499 /nfs/dbraw/zinc/70/54/99/1064705499.db2.gz UIKWVINLBBLRFF-QFIPXVFZSA-N 1 0 451.615 3.429 20 0 JGADRO CC(C)Cc1ccc([C@H](CNC(=O)c2c(I)cnn2C)[NH+](C)C)cc1 ZINC001298902020 1064706055 /nfs/dbraw/zinc/70/60/55/1064706055.db2.gz ZQJQJIJPOZIMEU-KRWDZBQOSA-N 1 0 454.356 3.256 20 0 JGADRO Cn1ncc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC001298902964 1064707061 /nfs/dbraw/zinc/70/70/61/1064707061.db2.gz OFNYJXCHGSAAKK-UHFFFAOYSA-N 1 0 472.588 3.219 20 0 JGADRO Cn1nc(C(F)(F)F)c(Cl)c1Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001298903097 1064707630 /nfs/dbraw/zinc/70/76/30/1064707630.db2.gz KWXHDZJRZQWFCW-ZDUSSCGKSA-N 1 0 475.947 3.157 20 0 JGADRO C[N@@H+]1CCN(CCn2c(CCOc3ccccc3)nnc2N2CCC(F)(F)CC2)CC1(C)C ZINC001298903113 1064707808 /nfs/dbraw/zinc/70/78/08/1064707808.db2.gz LKRZCKSNZOCBRH-UHFFFAOYSA-N 1 0 462.589 3.161 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001298916693 1064717764 /nfs/dbraw/zinc/71/77/64/1064717764.db2.gz QUDIELSDMZGEDW-MRXNPFEDSA-N 1 0 492.466 3.120 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001298921351 1064721990 /nfs/dbraw/zinc/72/19/90/1064721990.db2.gz KDVYJVGODBESAH-SFHVURJKSA-N 1 0 450.587 3.329 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001298927422 1064727029 /nfs/dbraw/zinc/72/70/29/1064727029.db2.gz JSBMSYKLQQULDW-UHFFFAOYSA-N 1 0 454.619 3.181 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001298944821 1064737982 /nfs/dbraw/zinc/73/79/82/1064737982.db2.gz UOKFWNGOIJAATP-FQEVSTJZSA-N 1 0 454.619 3.002 20 0 JGADRO CNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001298949431 1064740348 /nfs/dbraw/zinc/74/03/48/1064740348.db2.gz FHPPLJBYEGWSLK-PWRODBHTSA-N 1 0 474.694 3.281 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001298955200 1064746967 /nfs/dbraw/zinc/74/69/67/1064746967.db2.gz YBJIGNIYLVVRBL-AQNXPRMDSA-N 1 0 474.625 3.496 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001298955201 1064747426 /nfs/dbraw/zinc/74/74/26/1064747426.db2.gz YBJIGNIYLVVRBL-HSALFYBXSA-N 1 0 474.625 3.496 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001298964411 1064751277 /nfs/dbraw/zinc/75/12/77/1064751277.db2.gz BJJNAWFHVLRBCO-QFBILLFUSA-N 1 0 475.037 3.442 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[NH+]1CCCC1 ZINC001298964839 1064752518 /nfs/dbraw/zinc/75/25/18/1064752518.db2.gz KLJKKNAURUFENU-CQSZACIVSA-N 1 0 483.842 3.275 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[NH+]1CCCC1 ZINC001298964832 1064752573 /nfs/dbraw/zinc/75/25/73/1064752573.db2.gz KLJKKNAURUFENU-AWEZNQCLSA-N 1 0 483.842 3.275 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001298966370 1064755921 /nfs/dbraw/zinc/75/59/21/1064755921.db2.gz LQFRMVMHIUWODG-YJBOKZPZSA-N 1 0 474.993 3.321 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)C[NH+](C)C ZINC001298966636 1064756443 /nfs/dbraw/zinc/75/64/43/1064756443.db2.gz VVQJCVYWSBUHJL-MRXNPFEDSA-N 1 0 479.467 3.422 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C)c(Br)c2)n1CC(C)(C)C[NH+](C)C ZINC001298966635 1064756505 /nfs/dbraw/zinc/75/65/05/1064756505.db2.gz VVQJCVYWSBUHJL-INIZCTEOSA-N 1 0 479.467 3.422 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2F)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001298968899 1064759830 /nfs/dbraw/zinc/75/98/30/1064759830.db2.gz GAJFOBQLLMJXFY-QGZVFWFLSA-N 1 0 465.577 3.254 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001298972538 1064763000 /nfs/dbraw/zinc/76/30/00/1064763000.db2.gz OYESGGOGBCNECB-SFTDATJTSA-N 1 0 492.672 3.460 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001298972432 1064763100 /nfs/dbraw/zinc/76/31/00/1064763100.db2.gz XQEVGZCILZVYDI-YJBOKZPZSA-N 1 0 489.418 3.422 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1([NH+](C)C)CCCC1 ZINC001298979449 1064766256 /nfs/dbraw/zinc/76/62/56/1064766256.db2.gz QZWHNEWMSFCOND-SFHVURJKSA-N 1 0 465.602 3.293 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(CC(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001298981266 1064768294 /nfs/dbraw/zinc/76/82/94/1064768294.db2.gz DAXBLHRTHXTHOS-IBGZPJMESA-N 1 0 450.697 3.047 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001298985743 1064770155 /nfs/dbraw/zinc/77/01/55/1064770155.db2.gz OFYMOYFVJFVOQA-ZRCGQRJVSA-N 1 0 484.645 3.264 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001298988825 1064772008 /nfs/dbraw/zinc/77/20/08/1064772008.db2.gz FUZQZTUTUAWBLR-OXJNMPFZSA-N 1 0 458.607 3.191 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001298992205 1064775685 /nfs/dbraw/zinc/77/56/85/1064775685.db2.gz IMFYILHPTKBSHB-XMSQKQJNSA-N 1 0 479.654 3.464 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001298993131 1064776113 /nfs/dbraw/zinc/77/61/13/1064776113.db2.gz QNCAKXDNCXTFOT-FQEVSTJZSA-N 1 0 474.694 3.253 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[NH+]1CCCCC1 ZINC001298999116 1064778625 /nfs/dbraw/zinc/77/86/25/1064778625.db2.gz CMUAZQTUHZUGKJ-MRXNPFEDSA-N 1 0 483.444 3.468 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001299001984 1064780538 /nfs/dbraw/zinc/78/05/38/1064780538.db2.gz XDJTVJHJDRYRST-SANMLTNESA-N 1 0 495.672 3.374 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001299002724 1064781683 /nfs/dbraw/zinc/78/16/83/1064781683.db2.gz NAGOOXRGYUOFID-IRLDBZIGSA-N 1 0 468.646 3.309 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1([NH+](C)C)CCCC1 ZINC001299002794 1064782050 /nfs/dbraw/zinc/78/20/50/1064782050.db2.gz NXNDFBHBAXUPIO-FQEVSTJZSA-N 1 0 456.635 3.167 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[N@H+](C)C(C)C)C1 ZINC001299008484 1064792880 /nfs/dbraw/zinc/79/28/80/1064792880.db2.gz UIJHOACFZUXLKK-UUOWRZLLSA-N 1 0 460.598 3.250 20 0 JGADRO CC[N@@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC001299008999 1064793393 /nfs/dbraw/zinc/79/33/93/1064793393.db2.gz DAMQSZPVTXHCBK-GBXCKJPGSA-N 1 0 455.624 3.053 20 0 JGADRO CC[N@@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC001299009002 1064793652 /nfs/dbraw/zinc/79/36/52/1064793652.db2.gz DAMQSZPVTXHCBK-YKSBVNFPSA-N 1 0 455.624 3.053 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001299011521 1064794297 /nfs/dbraw/zinc/79/42/97/1064794297.db2.gz ATTPNODATXXLBO-NIYFSFCBSA-N 1 0 484.645 3.047 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001299012385 1064795508 /nfs/dbraw/zinc/79/55/08/1064795508.db2.gz FKXPXADNMMVRPY-SIBVEZHUSA-N 1 0 484.645 3.188 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001299012384 1064795562 /nfs/dbraw/zinc/79/55/62/1064795562.db2.gz FKXPXADNMMVRPY-NIYFSFCBSA-N 1 0 484.645 3.188 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001299014427 1064796872 /nfs/dbraw/zinc/79/68/72/1064796872.db2.gz AJQHTXIYXALFEE-AREMUKBSSA-N 1 0 484.645 3.047 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299014964 1064797831 /nfs/dbraw/zinc/79/78/31/1064797831.db2.gz PASNHGJXMLHVLS-XVTZWQNCSA-N 1 0 493.027 3.199 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001299015485 1064798478 /nfs/dbraw/zinc/79/84/78/1064798478.db2.gz RLCFWZCCHMKZJQ-BXKMTCNYSA-N 1 0 474.053 3.466 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001299015969 1064799898 /nfs/dbraw/zinc/79/98/98/1064799898.db2.gz LRMROPAASBCBMK-XHNVNVPESA-N 1 0 453.635 3.059 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001299017047 1064801979 /nfs/dbraw/zinc/80/19/79/1064801979.db2.gz UHHOUERLTMBGTH-NBGIEHNGSA-N 1 0 454.619 3.037 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001299017045 1064802076 /nfs/dbraw/zinc/80/20/76/1064802076.db2.gz UHHOUERLTMBGTH-CJFMBICVSA-N 1 0 454.619 3.037 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001299022314 1064805075 /nfs/dbraw/zinc/80/50/75/1064805075.db2.gz GTRHNEFFSHDPOL-SANMLTNESA-N 1 0 470.662 3.208 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001299027723 1064811689 /nfs/dbraw/zinc/81/16/89/1064811689.db2.gz HOEQYMPCCGZNHQ-UQBPGWFLSA-N 1 0 456.610 3.092 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001299029017 1064814500 /nfs/dbraw/zinc/81/45/00/1064814500.db2.gz QTNDNNICXMSVEY-SQJMNOBHSA-N 1 0 481.670 3.208 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001299029849 1064815104 /nfs/dbraw/zinc/81/51/04/1064815104.db2.gz QPKHHXMHLXZXCH-NIYFSFCBSA-N 1 0 488.627 3.478 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001299030851 1064817516 /nfs/dbraw/zinc/81/75/16/1064817516.db2.gz VOWNDHJWQAFANR-HFZDXXHNSA-N 1 0 452.647 3.494 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001299033601 1064822217 /nfs/dbraw/zinc/82/22/17/1064822217.db2.gz OJWCZWCHGJBFRX-HFZDXXHNSA-N 1 0 470.662 3.413 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001299038633 1064827100 /nfs/dbraw/zinc/82/71/00/1064827100.db2.gz AMNDFOCYXBCLQI-BGYRXZFFSA-N 1 0 491.640 3.224 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001299038637 1064827160 /nfs/dbraw/zinc/82/71/60/1064827160.db2.gz AMNDFOCYXBCLQI-PMACEKPBSA-N 1 0 491.640 3.224 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001299039677 1064828600 /nfs/dbraw/zinc/82/86/00/1064828600.db2.gz LZOOOVDDOCJCNS-AXMKBWGCSA-N 1 0 474.694 3.281 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001299044052 1064836428 /nfs/dbraw/zinc/83/64/28/1064836428.db2.gz HGEKZMCIQHGGKS-NRFANRHFSA-N 1 0 475.641 3.380 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001299043254 1064836554 /nfs/dbraw/zinc/83/65/54/1064836554.db2.gz ZZHHBJOUJIYTEB-HSZRJFAPSA-N 1 0 498.672 3.405 20 0 JGADRO CNC(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001299054017 1064846886 /nfs/dbraw/zinc/84/68/86/1064846886.db2.gz VBMXOMSRMKUHOL-UHFFFAOYSA-N 1 0 461.614 3.306 20 0 JGADRO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)C2)n1 ZINC001299060035 1064852671 /nfs/dbraw/zinc/85/26/71/1064852671.db2.gz KMHXRMADGBOGRK-UXHICEINSA-N 1 0 470.666 3.095 20 0 JGADRO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC3([NH+](C)C)CCCCC3)C2)n1 ZINC001299062162 1064856319 /nfs/dbraw/zinc/85/63/19/1064856319.db2.gz WEYNMGSQGXKXSV-IBGZPJMESA-N 1 0 470.666 3.238 20 0 JGADRO CNC(=O)c1cccc(Cn2c(N3CCC(OCC[NH+]4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001299062257 1064857390 /nfs/dbraw/zinc/85/73/90/1064857390.db2.gz YOKFYKPZQDOKHB-UHFFFAOYSA-N 1 0 468.646 3.065 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCC2)C1 ZINC001299064868 1064861559 /nfs/dbraw/zinc/86/15/59/1064861559.db2.gz GGAKQZJXJQCKJI-NHCUHLMSSA-N 1 0 468.646 3.482 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCSCC2)C1 ZINC001299066825 1064862184 /nfs/dbraw/zinc/86/21/84/1064862184.db2.gz LZORTVCMVXUZRZ-ROUUACIJSA-N 1 0 493.077 3.083 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001299068729 1064863422 /nfs/dbraw/zinc/86/34/22/1064863422.db2.gz QTGHZXRHROPXMB-GBESFXJTSA-N 1 0 458.582 3.004 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001299070518 1064867726 /nfs/dbraw/zinc/86/77/26/1064867726.db2.gz IKCRMAWNMCWZKL-SJORKVTESA-N 1 0 492.466 3.119 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001299070930 1064869190 /nfs/dbraw/zinc/86/91/90/1064869190.db2.gz BNTPLLXHGNZSKZ-CABCVRRESA-N 1 0 481.464 3.216 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC2([NH+](C)C)CCC2)C1 ZINC001299073793 1064877085 /nfs/dbraw/zinc/87/70/85/1064877085.db2.gz OGMCHENXVBYGSX-OAHLLOKOSA-N 1 0 493.425 3.293 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001299074148 1064877565 /nfs/dbraw/zinc/87/75/65/1064877565.db2.gz OYZTWUFCALIOMN-LPHOPBHVSA-N 1 0 487.004 3.465 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001299074943 1064878657 /nfs/dbraw/zinc/87/86/57/1064878657.db2.gz RLCHQQDXHITGBE-JOCHJYFZSA-N 1 0 482.673 3.317 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001299084302 1064887363 /nfs/dbraw/zinc/88/73/63/1064887363.db2.gz DYMOUIQPLSKAJL-JOCHJYFZSA-N 1 0 452.647 3.278 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC[N@H+](C)C(C)C)C1 ZINC001299084596 1064888788 /nfs/dbraw/zinc/88/87/88/1064888788.db2.gz FUPMKNZGDZTROP-FQEVSTJZSA-N 1 0 465.602 3.293 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC001299089021 1064895066 /nfs/dbraw/zinc/89/50/66/1064895066.db2.gz VCZGVQCMZRKVRL-GGAORHGYSA-N 1 0 468.646 3.285 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001299091128 1064896668 /nfs/dbraw/zinc/89/66/68/1064896668.db2.gz XMUSHMSPNNDZBH-RBBKRZOGSA-N 1 0 456.610 3.091 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001299098133 1064902513 /nfs/dbraw/zinc/90/25/13/1064902513.db2.gz SBMWWDOVAKZOLZ-JTHBVZDNSA-N 1 0 492.672 3.232 20 0 JGADRO CNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001299111426 1064921504 /nfs/dbraw/zinc/92/15/04/1064921504.db2.gz OWYPXONGHVWDCB-UHFFFAOYSA-N 1 0 454.619 3.181 20 0 JGADRO CNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001299119112 1064927516 /nfs/dbraw/zinc/92/75/16/1064927516.db2.gz VTQDYZNBOKFPKJ-NRFANRHFSA-N 1 0 450.587 3.036 20 0 JGADRO CNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC001299119991 1064929009 /nfs/dbraw/zinc/92/90/09/1064929009.db2.gz XMTLSHSVWVBHIG-UHFFFAOYSA-N 1 0 452.647 3.473 20 0 JGADRO CNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001299124398 1064932830 /nfs/dbraw/zinc/93/28/30/1064932830.db2.gz RJFGQQSIRCJGHU-UHFFFAOYSA-N 1 0 472.609 3.081 20 0 JGADRO CNC(=O)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001299124381 1064932838 /nfs/dbraw/zinc/93/28/38/1064932838.db2.gz RGITZLDUIMQBFB-UHFFFAOYSA-N 1 0 484.645 3.093 20 0 JGADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001299132800 1064940388 /nfs/dbraw/zinc/94/03/88/1064940388.db2.gz ADMPCPWMJLFGDH-JTAQYXEDSA-N 1 0 482.673 3.314 20 0 JGADRO CO[C@@]1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001299748786 1064948125 /nfs/dbraw/zinc/94/81/25/1064948125.db2.gz FAEBKASCPDUHFJ-QFIPXVFZSA-N 1 0 494.482 3.067 20 0 JGADRO CO[C@@]1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001299751300 1064951385 /nfs/dbraw/zinc/95/13/85/1064951385.db2.gz RJSLODVHXZDNLD-PXNSSMCTSA-N 1 0 451.413 3.381 20 0 JGADRO 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COc1cc(-c2nnc(N3CCO[C@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc(OC)c1OC ZINC001299860025 1065074123 /nfs/dbraw/zinc/07/41/23/1065074123.db2.gz MLLRHICJQKIDRO-QGZVFWFLSA-N 1 0 459.591 3.070 20 0 JGADRO COc1cc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299860330 1065075632 /nfs/dbraw/zinc/07/56/32/1065075632.db2.gz QXMXMUUDRPGUEQ-UNMCSNQZSA-N 1 0 487.645 3.323 20 0 JGADRO COc1cc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299860329 1065075736 /nfs/dbraw/zinc/07/57/36/1065075736.db2.gz QXMXMUUDRPGUEQ-RBBKRZOGSA-N 1 0 487.645 3.323 20 0 JGADRO COc1cc(-c2nnc(N3CCOCC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC001299860555 1065075783 /nfs/dbraw/zinc/07/57/83/1065075783.db2.gz UGFHRCDKZCTUCN-GOSISDBHSA-N 1 0 459.591 3.072 20 0 JGADRO COc1cc(-c2nnc(N3CC[C@@H](OC)C3)n2CC2(O)CC[NH+](C(C)C)CC2)ccc1OC(C)C ZINC001299861707 1065078065 /nfs/dbraw/zinc/07/80/65/1065078065.db2.gz KMJDNUFGMCQUIN-OAQYLSRUSA-N 1 0 487.645 3.201 20 0 JGADRO COc1cc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@H](C2CC2)[NH+](C)C)cc(OC)c1OC ZINC001299862286 1065079114 /nfs/dbraw/zinc/07/91/14/1065079114.db2.gz VCHQHCYNGLBHTO-MAUKXSAKSA-N 1 0 461.632 3.253 20 0 JGADRO COc1cc(CCn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)ccc1Cl ZINC001299865277 1065082930 /nfs/dbraw/zinc/08/29/30/1065082930.db2.gz DOCCYYAAHNSINQ-UHFFFAOYSA-N 1 0 486.020 3.187 20 0 JGADRO COc1cc(CN(C)c2nnc(C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)ccc1OC(F)F ZINC001299871482 1065090175 /nfs/dbraw/zinc/09/01/75/1065090175.db2.gz KIGQWCPDZNDVPC-GOSISDBHSA-N 1 0 453.534 3.190 20 0 JGADRO COc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccco2)[NH+](C)C)ccc1SC ZINC001299873204 1065092696 /nfs/dbraw/zinc/09/26/96/1065092696.db2.gz YLFDRHIBLOZTIE-ZWKOTPCHSA-N 1 0 484.626 3.492 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[NH+](C(C)C)C(C)C ZINC001299894581 1065125356 /nfs/dbraw/zinc/12/53/56/1065125356.db2.gz GPFYAGKYICDPJE-UHFFFAOYSA-N 1 0 493.052 3.021 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001299903313 1065141978 /nfs/dbraw/zinc/14/19/78/1065141978.db2.gz YTLYNKQVKDECLZ-GOSISDBHSA-N 1 0 490.052 3.235 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001299907207 1065148547 /nfs/dbraw/zinc/14/85/47/1065148547.db2.gz CVXDDEJLIQGKNB-BZSNNMDCSA-N 1 0 475.037 3.429 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCCN(C(C)=O)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001299907046 1065148631 /nfs/dbraw/zinc/14/86/31/1065148631.db2.gz BKDAUTSGEIOBAB-QGZVFWFLSA-N 1 0 461.010 3.150 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001299907920 1065151086 /nfs/dbraw/zinc/15/10/86/1065151086.db2.gz WETWBVSRTPYKLN-HKUYNNGSSA-N 1 0 475.037 3.444 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001299909017 1065154970 /nfs/dbraw/zinc/15/49/70/1065154970.db2.gz LHJNLDBOPSNLRP-QAPCUYQASA-N 1 0 472.977 3.170 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(c3ncccn3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001299909264 1065156330 /nfs/dbraw/zinc/15/63/30/1065156330.db2.gz SCIWYZLZVNVGPE-UHFFFAOYSA-N 1 0 485.036 3.312 20 0 JGADRO COc1cc(N(C)c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)cc(OC)c1OC ZINC001299920547 1065172770 /nfs/dbraw/zinc/17/27/70/1065172770.db2.gz MJIDZWRRIDTWKW-UHFFFAOYSA-N 1 0 495.584 3.205 20 0 JGADRO COc1cc(N(C)c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCSC2)cc(OC)c1OC ZINC001299924164 1065179237 /nfs/dbraw/zinc/17/92/37/1065179237.db2.gz TXVUXDUHLQWICS-VWLOTQADSA-N 1 0 498.653 3.495 20 0 JGADRO COc1cc(OC)c(CCn2c(N3CC[NH+](CC4CC4)CC3)nnc2C(C)(C)C)c(OC)c1 ZINC001299925985 1065185923 /nfs/dbraw/zinc/18/59/23/1065185923.db2.gz YBDJBKOHBUBPGC-UHFFFAOYSA-N 1 0 457.619 3.376 20 0 JGADRO CCN1C(=O)N=NC1C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001299926612 1065187183 /nfs/dbraw/zinc/18/71/83/1065187183.db2.gz XEXKJZQGYUYVTH-OAQYLSRUSA-N 1 0 451.493 3.164 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CC3CC(F)C3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001299929422 1065192390 /nfs/dbraw/zinc/19/23/90/1065192390.db2.gz HMXCWGGULVAPLI-UHFFFAOYSA-N 1 0 461.582 3.257 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001299930874 1065194261 /nfs/dbraw/zinc/19/42/61/1065194261.db2.gz ONFOEKMHEBPWBP-OAQYLSRUSA-N 1 0 465.558 3.228 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CC(F)(F)F)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001299931393 1065194947 /nfs/dbraw/zinc/19/49/47/1065194947.db2.gz YSYONJBKUSHCAC-MRXNPFEDSA-N 1 0 471.524 3.462 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC[NH+]2CCCC2)c1 ZINC001299931324 1065195085 /nfs/dbraw/zinc/19/50/85/1065195085.db2.gz WEYPRDFHYLCHKG-UHFFFAOYSA-N 1 0 493.534 3.447 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001299933251 1065199294 /nfs/dbraw/zinc/19/92/94/1065199294.db2.gz AWRQYJXLIQDJPA-WZONZLPQSA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001299934008 1065200541 /nfs/dbraw/zinc/20/05/41/1065200541.db2.gz NIKIOEUBAUCMTK-XDHUDOTRSA-N 1 0 475.659 3.403 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)OC3CCCC3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001299934669 1065201928 /nfs/dbraw/zinc/20/19/28/1065201928.db2.gz XHNMOSIPDPAXBK-UHFFFAOYSA-N 1 0 459.591 3.384 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(CO)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001299937700 1065205254 /nfs/dbraw/zinc/20/52/54/1065205254.db2.gz JZGROWPVDHRCTQ-RTBURBONSA-N 1 0 487.645 3.059 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001299937844 1065205909 /nfs/dbraw/zinc/20/59/09/1065205909.db2.gz WVMIYVGXKHGYIK-XHNVNVPESA-N 1 0 473.618 3.075 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001299937781 1065206015 /nfs/dbraw/zinc/20/60/15/1065206015.db2.gz VRVPALVTKMFNDR-VWLOTQADSA-N 1 0 455.603 3.212 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(F)(F)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001299941392 1065210802 /nfs/dbraw/zinc/21/08/02/1065210802.db2.gz IPXPIIQWUFTDNO-QGZVFWFLSA-N 1 0 465.545 3.309 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(N4CCCC4=O)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299942210 1065211879 /nfs/dbraw/zinc/21/18/79/1065211879.db2.gz NXZCLRGMPRWYQH-UHFFFAOYSA-N 1 0 484.645 3.141 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001299944981 1065216467 /nfs/dbraw/zinc/21/64/67/1065216467.db2.gz NLUICCPECOQOPM-DYESRHJHSA-N 1 0 498.653 3.419 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001299944985 1065217047 /nfs/dbraw/zinc/21/70/47/1065217047.db2.gz NLUICCPECOQOPM-UTKZUKDTSA-N 1 0 498.653 3.419 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCn2cc(C)cn2)c1 ZINC001299946363 1065220998 /nfs/dbraw/zinc/22/09/98/1065220998.db2.gz BIRTYWZNGOVFFV-UHFFFAOYSA-N 1 0 467.618 3.478 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001299946935 1065222014 /nfs/dbraw/zinc/22/20/14/1065222014.db2.gz TXFFLHPBKLJUHR-WMZHIEFXSA-N 1 0 484.645 3.175 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001299949525 1065223821 /nfs/dbraw/zinc/22/38/21/1065223821.db2.gz FTMZOHVOMXQFDU-RTWAWAEBSA-N 1 0 498.672 3.387 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299950317 1065225567 /nfs/dbraw/zinc/22/55/67/1065225567.db2.gz MRCDLTDRZIJYCB-UHFFFAOYSA-N 1 0 496.612 3.106 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001299951785 1065229951 /nfs/dbraw/zinc/22/99/51/1065229951.db2.gz VCAROXDQVMUXJX-UHFFFAOYSA-N 1 0 484.645 3.141 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001299951942 1065230437 /nfs/dbraw/zinc/23/04/37/1065230437.db2.gz WYEGVJFPKCXZQT-AVRWGWEMSA-N 1 0 457.619 3.434 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCc2nc(C)no2)c1 ZINC001299952321 1065231563 /nfs/dbraw/zinc/23/15/63/1065231563.db2.gz NKNFVRYVXRKXNW-UHFFFAOYSA-N 1 0 469.590 3.065 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCCC(F)(F)F)c1 ZINC001299953255 1065234027 /nfs/dbraw/zinc/23/40/27/1065234027.db2.gz XKMKBMMNXOFUEU-KRWDZBQOSA-N 1 0 483.535 3.463 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001299956602 1065235545 /nfs/dbraw/zinc/23/55/45/1065235545.db2.gz BERGQBVNPXDPLT-SBUREZEXSA-N 1 0 461.632 3.395 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001299958816 1065238002 /nfs/dbraw/zinc/23/80/02/1065238002.db2.gz DAIYAJXZJUCNIR-QFIPXVFZSA-N 1 0 453.591 3.265 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001299959081 1065238772 /nfs/dbraw/zinc/23/87/72/1065238772.db2.gz YYGDFOMHPGRYOT-RBUKOAKNSA-N 1 0 491.658 3.230 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCS(=O)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001299972991 1065260951 /nfs/dbraw/zinc/26/09/51/1065260951.db2.gz FIBXSOZZZRZHPW-INIZCTEOSA-N 1 0 498.491 3.261 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCNC(C)=O)c1 ZINC001299974565 1065265635 /nfs/dbraw/zinc/26/56/35/1065265635.db2.gz WRGQVOZGCXKOFJ-UHFFFAOYSA-N 1 0 493.450 3.020 20 0 JGADRO COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)cc1OC ZINC001299979834 1065278104 /nfs/dbraw/zinc/27/81/04/1065278104.db2.gz WTOIGOMUGCHNEY-OAQYLSRUSA-N 1 0 498.672 3.476 20 0 JGADRO COc1ccc(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001299982140 1065282657 /nfs/dbraw/zinc/28/26/57/1065282657.db2.gz ZZOCWOMQEZXFPZ-UHFFFAOYSA-N 1 0 468.646 3.307 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001299983627 1065284789 /nfs/dbraw/zinc/28/47/89/1065284789.db2.gz JOUAWVXQLHKNOD-PGRDOPGGSA-N 1 0 484.645 3.325 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001299984958 1065286738 /nfs/dbraw/zinc/28/67/38/1065286738.db2.gz RJXUXVWXEQTHTF-DBVUQKKJSA-N 1 0 452.559 3.331 20 0 JGADRO COc1ccc([C@@H](C)N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001299987004 1065289387 /nfs/dbraw/zinc/28/93/87/1065289387.db2.gz NUYNNWHPRRFMRD-IUVOSCESSA-N 1 0 471.646 3.469 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001299987727 1065290273 /nfs/dbraw/zinc/29/02/73/1065290273.db2.gz VCJXPNQZTISEQD-SVFBPWRDSA-N 1 0 475.659 3.118 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC001299992098 1065298779 /nfs/dbraw/zinc/29/87/79/1065298779.db2.gz IMQYIRRUYJINHQ-GUDVDZBRSA-N 1 0 486.661 3.419 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC001299992569 1065299477 /nfs/dbraw/zinc/29/94/77/1065299477.db2.gz PCSGCNIZEFIWOP-RXVVDRJESA-N 1 0 484.645 3.460 20 0 JGADRO Cc1ccc(Cn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)CCC(C)C)c(=O)n1C ZINC001492201095 1065314441 /nfs/dbraw/zinc/31/44/41/1065314441.db2.gz SFLNKHLSFXNZFA-UHFFFAOYSA-N 1 0 491.684 3.181 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@H]4CCCO4)n3C[C@H](C)[NH+](C)C)CC2)cc1F ZINC001492206016 1065320111 /nfs/dbraw/zinc/32/01/11/1065320111.db2.gz SDPCIZULHYIVNN-PGRDOPGGSA-N 1 0 472.609 3.060 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001492208559 1065322992 /nfs/dbraw/zinc/32/29/92/1065322992.db2.gz VBTJAXZHQOSCSW-SFHVURJKSA-N 1 0 451.550 3.494 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492211436 1065324513 /nfs/dbraw/zinc/32/45/13/1065324513.db2.gz NQYUDSJYWRCGCV-REWPJTCUSA-N 1 0 486.636 3.199 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(CC3CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492217938 1065327811 /nfs/dbraw/zinc/32/78/11/1065327811.db2.gz USKSPMIPIOYTIP-QFIPXVFZSA-N 1 0 456.610 3.257 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCOCC[NH+](C)C)cc1C ZINC001492247948 1065347222 /nfs/dbraw/zinc/34/72/22/1065347222.db2.gz PJDAONCLTFNOKB-UHFFFAOYSA-N 1 0 480.535 3.424 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC2([NH+](C)C)CCCCC2)cc1C ZINC001492248102 1065347253 /nfs/dbraw/zinc/34/72/53/1065347253.db2.gz PWJIIABFUFMRRV-RUZDIDTESA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CCC(=O)NC(C)C)cc1C ZINC001492250342 1065349780 /nfs/dbraw/zinc/34/97/80/1065349780.db2.gz MAGAFOOYVGBVHT-JOCHJYFZSA-N 1 0 495.672 3.374 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[NH+](C(C)C)C(C)C)cc1C ZINC001492255797 1065356093 /nfs/dbraw/zinc/35/60/93/1065356093.db2.gz YHFRXHZARKDFQV-OAQYLSRUSA-N 1 0 483.661 3.358 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001492265714 1065358071 /nfs/dbraw/zinc/35/80/71/1065358071.db2.gz DJHGWSSIGWFYKK-GOSISDBHSA-N 1 0 489.615 3.266 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001492265950 1065359498 /nfs/dbraw/zinc/35/94/98/1065359498.db2.gz LDUWUUILZFBCJL-NQIIRXRSSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2CC[NH+]2CCCCCC2)cc1C ZINC001492266197 1065361476 /nfs/dbraw/zinc/36/14/76/1065361476.db2.gz KQTPMPMCZDOSCP-UHFFFAOYSA-N 1 0 489.615 3.410 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCNC(=O)OC(C)(C)C)cc1C ZINC001492269259 1065364873 /nfs/dbraw/zinc/36/48/73/1065364873.db2.gz XDKRLDIDUYNENQ-UHFFFAOYSA-N 1 0 497.644 3.346 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC2([NH+](C)C)CCCCC2)cc1C ZINC001492269330 1065365551 /nfs/dbraw/zinc/36/55/51/1065365551.db2.gz YDSBQDHOEUDXAG-FQEVSTJZSA-N 1 0 481.645 3.079 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001492274114 1065368517 /nfs/dbraw/zinc/36/85/17/1065368517.db2.gz UYEXTBSBIHSPLN-IRLDBZIGSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001492274104 1065368553 /nfs/dbraw/zinc/36/85/53/1065368553.db2.gz UPTFRLHOOAECNL-HSZRJFAPSA-N 1 0 497.688 3.034 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001492281929 1065375113 /nfs/dbraw/zinc/37/51/13/1065375113.db2.gz VVEAXQGQOLBCBW-LEWJYISDSA-N 1 0 483.661 3.318 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC4CC4)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001492281923 1065375205 /nfs/dbraw/zinc/37/52/05/1065375205.db2.gz VSSLLKTWFMYLLT-FQEVSTJZSA-N 1 0 453.635 3.377 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc1 ZINC001492282378 1065375802 /nfs/dbraw/zinc/37/58/02/1065375802.db2.gz XMZXGFVELMIOJH-NHCUHLMSSA-N 1 0 483.661 3.459 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492284077 1065376991 /nfs/dbraw/zinc/37/69/91/1065376991.db2.gz PYEQVGNERNOQSK-NRFANRHFSA-N 1 0 481.645 3.018 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001492286544 1065378433 /nfs/dbraw/zinc/37/84/33/1065378433.db2.gz DYLFRRUOXVTYAY-UHFFFAOYSA-N 1 0 454.619 3.431 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3ccco3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001492323998 1065396695 /nfs/dbraw/zinc/39/66/95/1065396695.db2.gz ZUTPTEKOGGLMPK-UHFFFAOYSA-N 1 0 452.603 3.421 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)cc1C ZINC001492337786 1065405391 /nfs/dbraw/zinc/40/53/91/1065405391.db2.gz JCKIMTCTPMGLGJ-OAQYLSRUSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001492340260 1065408386 /nfs/dbraw/zinc/40/83/86/1065408386.db2.gz RGCVJZKWSYPYGL-NHCUHLMSSA-N 1 0 456.635 3.117 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CCC(=O)NC(C)C)cc1 ZINC001492354062 1065418165 /nfs/dbraw/zinc/41/81/65/1065418165.db2.gz VNUKOOHNLGLINO-JOCHJYFZSA-N 1 0 468.646 3.392 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001492354068 1065418176 /nfs/dbraw/zinc/41/81/76/1065418176.db2.gz VPRVBDVYDJVJLV-SANMLTNESA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(C)COCCO2)cc1C ZINC001492358580 1065419744 /nfs/dbraw/zinc/41/97/44/1065419744.db2.gz BLYDUTXZQKHVPG-RUZDIDTESA-N 1 0 457.619 3.246 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001492359298 1065420603 /nfs/dbraw/zinc/42/06/03/1065420603.db2.gz IZHLXSOCPPUHPL-OAQYLSRUSA-N 1 0 490.599 3.344 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)n2CC(=O)N(C)C)cc1 ZINC001492369726 1065430324 /nfs/dbraw/zinc/43/03/24/1065430324.db2.gz APEXNZRCZBVSTR-YADHBBJMSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492370823 1065433498 /nfs/dbraw/zinc/43/34/98/1065433498.db2.gz LZHXXOOWCHQVGE-GIWBLDEGSA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001492377889 1065442432 /nfs/dbraw/zinc/44/24/32/1065442432.db2.gz XYOXKEAQIBKIJW-ISJBWFOZSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC(C)(C)C[NH+]2CCCC2)cc1C ZINC001492383093 1065446207 /nfs/dbraw/zinc/44/62/07/1065446207.db2.gz KJBMIKOVCJFSPP-OAQYLSRUSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001492383030 1065446232 /nfs/dbraw/zinc/44/62/32/1065446232.db2.gz IRZQIFHQANNSPN-UHFFFAOYSA-N 1 0 470.662 3.197 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001492385616 1065453701 /nfs/dbraw/zinc/45/37/01/1065453701.db2.gz SFFLPEDJDNMRSB-UHFFFAOYSA-N 1 0 478.645 3.321 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCOC(C)(C)C)cc1 ZINC001492390796 1065455593 /nfs/dbraw/zinc/45/55/93/1065455593.db2.gz AVNIZAGJZFHOMO-NRFANRHFSA-N 1 0 457.619 3.139 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001492346908 1065461742 /nfs/dbraw/zinc/46/17/42/1065461742.db2.gz NFIJAEKDLTVJGX-SFHVURJKSA-N 1 0 494.562 3.155 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@@H+](C)C2CCCCC2)cc1C ZINC001492347064 1065462600 /nfs/dbraw/zinc/46/26/00/1065462600.db2.gz QHGJYFKLTLASGZ-FQEVSTJZSA-N 1 0 454.619 3.050 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(Cc4ccsc4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492392039 1065464209 /nfs/dbraw/zinc/46/42/09/1065464209.db2.gz VVCUQQUZLNPJOV-HXUWFJFHSA-N 1 0 454.644 3.499 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001492392423 1065464292 /nfs/dbraw/zinc/46/42/92/1065464292.db2.gz YIZDBGYOZVOATA-NRFANRHFSA-N 1 0 454.619 3.015 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492392758 1065465155 /nfs/dbraw/zinc/46/51/55/1065465155.db2.gz JKZLJYKWKZYWMB-VXKWHMMOSA-N 1 0 471.646 3.324 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001492393381 1065466080 /nfs/dbraw/zinc/46/60/80/1065466080.db2.gz LOYYFSQZERDLEO-OAQYLSRUSA-N 1 0 497.562 3.088 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001492393361 1065466088 /nfs/dbraw/zinc/46/60/88/1065466088.db2.gz LOEJVYFYLWVSNM-RPWUZVMVSA-N 1 0 471.646 3.384 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001492394509 1065466973 /nfs/dbraw/zinc/46/69/73/1065466973.db2.gz OLERRIBTCLKFJV-ZJSXRUAMSA-N 1 0 459.660 3.464 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001492395423 1065467693 /nfs/dbraw/zinc/46/76/93/1065467693.db2.gz SHDDFEUYIIWNBK-CLJLJLNGSA-N 1 0 471.646 3.182 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001492401064 1065469979 /nfs/dbraw/zinc/46/99/79/1065469979.db2.gz LFZUAHNUYWSOPU-SZPZYZBQSA-N 1 0 489.686 3.158 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCCC[NH+]2CCCCC2)cc1 ZINC001492401476 1065471126 /nfs/dbraw/zinc/47/11/26/1065471126.db2.gz NFKGGZIWBYLXOH-UHFFFAOYSA-N 1 0 459.660 3.390 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](c4cnn(C)c4)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492402060 1065471634 /nfs/dbraw/zinc/47/16/34/1065471634.db2.gz REVFYFDXFONNGL-HSZRJFAPSA-N 1 0 467.618 3.126 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001492402390 1065472657 /nfs/dbraw/zinc/47/26/57/1065472657.db2.gz SBCYHTDADROJPL-FQEVSTJZSA-N 1 0 459.660 3.343 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492409985 1065475209 /nfs/dbraw/zinc/47/52/09/1065475209.db2.gz ZUHOBXKHJPMOIM-ZDXQCDESSA-N 1 0 471.646 3.444 20 0 JGADRO Cc1ccc(OCc2nnc(Nc3ccn(C)n3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001492409391 1065475549 /nfs/dbraw/zinc/47/55/49/1065475549.db2.gz UPEVXRYFPFRUOX-PMACEKPBSA-N 1 0 453.591 3.450 20 0 JGADRO Cc1ccc(OCCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC001492415423 1065477303 /nfs/dbraw/zinc/47/73/03/1065477303.db2.gz AUZLYPKKYAAWHS-QHCPKHFHSA-N 1 0 482.673 3.387 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001492418546 1065479316 /nfs/dbraw/zinc/47/93/16/1065479316.db2.gz IPCLOPIEPKKRGF-UHFFFAOYSA-N 1 0 463.630 3.190 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCCC3)n2CC[NH+]2CCCCC2)cc1 ZINC001492429145 1065487177 /nfs/dbraw/zinc/48/71/77/1065487177.db2.gz GYHUEPOCEUZTDT-UHFFFAOYSA-N 1 0 474.675 3.145 20 0 JGADRO Cc1ccc(OCCn2c(CN3CCCC3=O)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC001492429705 1065488351 /nfs/dbraw/zinc/48/83/51/1065488351.db2.gz LDPIZFSBQXYBMJ-UHFFFAOYSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001492436088 1065490638 /nfs/dbraw/zinc/49/06/38/1065490638.db2.gz DHKOCUKIHOWWFT-AVRDEDQJSA-N 1 0 497.756 3.185 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001492391364 1065498234 /nfs/dbraw/zinc/49/82/34/1065498234.db2.gz CZPRHJHQOJOOSL-RUZDIDTESA-N 1 0 484.689 3.300 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001492452612 1065503392 /nfs/dbraw/zinc/50/33/92/1065503392.db2.gz IIOWCWWMRNFVJC-WOJBJXKFSA-N 1 0 456.660 3.278 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC(CC(N)=O)CC3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001492455611 1065505746 /nfs/dbraw/zinc/50/57/46/1065505746.db2.gz BXEQSVOYLLGIIJ-UHFFFAOYSA-N 1 0 486.686 3.081 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492461677 1065509904 /nfs/dbraw/zinc/50/99/04/1065509904.db2.gz HCGYTEOHUXWZCX-AZUAARDMSA-N 1 0 465.689 3.232 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCC[NH+]2CCCCC2)cc1 ZINC001492465985 1065513324 /nfs/dbraw/zinc/51/33/24/1065513324.db2.gz RIJYYXPYBYCARX-HXUWFJFHSA-N 1 0 456.660 3.422 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492470377 1065519963 /nfs/dbraw/zinc/51/99/63/1065519963.db2.gz MLSRODOOTHOBFL-AXHZCLLHSA-N 1 0 474.675 3.401 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc(CC4CCCC4)n3CCOCC[NH+](C)C)CC2)c1 ZINC001492470952 1065521210 /nfs/dbraw/zinc/52/12/10/1065521210.db2.gz CHEGBUCXEOZWDC-UHFFFAOYSA-N 1 0 482.673 3.250 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001300797627 1065529667 /nfs/dbraw/zinc/52/96/67/1065529667.db2.gz OFPWLQSRPGKQIC-RQTOMXEWSA-N 1 0 463.667 3.302 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCSCC2)CC[C@@H]1C ZINC001300799090 1065531652 /nfs/dbraw/zinc/53/16/52/1065531652.db2.gz USAPVKJTLVXDHL-WAOWUJCRSA-N 1 0 463.623 3.467 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+]2CCCC2)CC1(C)C ZINC001300799940 1065532179 /nfs/dbraw/zinc/53/21/79/1065532179.db2.gz XZZCGYCQMOZPLZ-CJFMBICVSA-N 1 0 463.667 3.302 20 0 JGADRO CO[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC[C@@H]1C ZINC001300801011 1065533277 /nfs/dbraw/zinc/53/32/77/1065533277.db2.gz WDYMRLGIDSBHRQ-WMZHIEFXSA-N 1 0 455.647 3.442 20 0 JGADRO O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001300822301 1065549674 /nfs/dbraw/zinc/54/96/74/1065549674.db2.gz WFXBOTZYEMDDFP-UPVQGACJSA-N 1 0 455.624 3.374 20 0 JGADRO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1(C)C ZINC001300840167 1065577016 /nfs/dbraw/zinc/57/70/16/1065577016.db2.gz UBXMDDPJIHSHCS-LJQANCHMSA-N 1 0 466.051 3.421 20 0 JGADRO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C[NH+]2CCCC2)CC1(C)C ZINC001300841716 1065580123 /nfs/dbraw/zinc/58/01/23/1065580123.db2.gz JKORFMSDSCJPAV-LJQANCHMSA-N 1 0 474.675 3.253 20 0 JGADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC[C@@H]1C ZINC001300843343 1065581894 /nfs/dbraw/zinc/58/18/94/1065581894.db2.gz PZHARMXZBQEJLL-WPFOTENUSA-N 1 0 471.646 3.182 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1(C)C ZINC001300844105 1065584156 /nfs/dbraw/zinc/58/41/56/1065584156.db2.gz QWBMKRVFGGUZDV-XQBPLPMBSA-N 1 0 457.667 3.369 20 0 JGADRO CO[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CC[C@@H]1C ZINC001300844234 1065584692 /nfs/dbraw/zinc/58/46/92/1065584692.db2.gz XIAKICCOCRBNGI-LEEZEASISA-N 1 0 459.660 3.198 20 0 JGADRO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001300845701 1065587975 /nfs/dbraw/zinc/58/79/75/1065587975.db2.gz VMWZVYGHSNZNKS-IEBWSBKVSA-N 1 0 460.648 3.005 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC[C@@H]1C ZINC001300846025 1065589065 /nfs/dbraw/zinc/58/90/65/1065589065.db2.gz ZLBSCXAHJZCSQT-PDIWNELESA-N 1 0 469.609 3.443 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCC2)CC[C@H]1C ZINC001300849064 1065592110 /nfs/dbraw/zinc/59/21/10/1065592110.db2.gz MJKRBVHHCIFKIM-HSALFYBXSA-N 1 0 462.639 3.307 20 0 JGADRO CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300857278 1065609815 /nfs/dbraw/zinc/60/98/15/1065609815.db2.gz XGNGKTLWGHDYLS-ICSRJNTNSA-N 1 0 465.545 3.128 20 0 JGADRO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)C1 ZINC001300874320 1065651906 /nfs/dbraw/zinc/65/19/06/1065651906.db2.gz ONRQROMMKKXWGW-MJGOQNOKSA-N 1 0 452.393 3.398 20 0 JGADRO CO[C@H]1COCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001300878100 1065661452 /nfs/dbraw/zinc/66/14/52/1065661452.db2.gz YTVWNYDSXKDOHD-UPVQGACJSA-N 1 0 471.646 3.303 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001300881061 1065666149 /nfs/dbraw/zinc/66/61/49/1065666149.db2.gz STFYTOAICHBFIB-UHFFFAOYSA-N 1 0 482.673 3.412 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001300904396 1065703600 /nfs/dbraw/zinc/70/36/00/1065703600.db2.gz PABINUFOJRVNRT-HRFSGMKKSA-N 1 0 498.672 3.196 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001300908426 1065707253 /nfs/dbraw/zinc/70/72/53/1065707253.db2.gz ZCUCTIRFZVXISA-PMACEKPBSA-N 1 0 460.667 3.035 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300908427 1065707336 /nfs/dbraw/zinc/70/73/36/1065707336.db2.gz ZCUCTIRFZVXISA-WOJBJXKFSA-N 1 0 460.667 3.035 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001300910827 1065708881 /nfs/dbraw/zinc/70/88/81/1065708881.db2.gz PBTORSPMDMHJKT-NRFANRHFSA-N 1 0 462.683 3.109 20 0 JGADRO COCC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001300928471 1065727313 /nfs/dbraw/zinc/72/73/13/1065727313.db2.gz DIWDTHNGRNOZLS-KRWDZBQOSA-N 1 0 481.439 3.009 20 0 JGADRO COCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001300938111 1065740453 /nfs/dbraw/zinc/74/04/53/1065740453.db2.gz NGGDXZDTZJMRIZ-UHFFFAOYSA-N 1 0 451.619 3.452 20 0 JGADRO COCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)[C@H]1CCSC1 ZINC001300946907 1065750536 /nfs/dbraw/zinc/75/05/36/1065750536.db2.gz UNKFGJMHCKUTQS-QFIPXVFZSA-N 1 0 472.703 3.257 20 0 JGADRO COCC(C)(C)Cn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001300952879 1065756524 /nfs/dbraw/zinc/75/65/24/1065756524.db2.gz KKAKNCYBRKUTQC-RUZDIDTESA-N 1 0 463.667 3.446 20 0 JGADRO COC[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001300953539 1065757551 /nfs/dbraw/zinc/75/75/51/1065757551.db2.gz QNRPUCDODQSGJA-HYBUGGRVSA-N 1 0 497.688 3.034 20 0 JGADRO COC[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001300953540 1065758149 /nfs/dbraw/zinc/75/81/49/1065758149.db2.gz QNRPUCDODQSGJA-RDPSFJRHSA-N 1 0 497.688 3.034 20 0 JGADRO COC[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001300954205 1065758703 /nfs/dbraw/zinc/75/87/03/1065758703.db2.gz VVRRQSFBVXKJCH-UXHICEINSA-N 1 0 485.608 3.286 20 0 JGADRO COC[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001300964957 1065774282 /nfs/dbraw/zinc/77/42/82/1065774282.db2.gz NMUGHXVIXNCMBN-RXVVDRJESA-N 1 0 471.005 3.132 20 0 JGADRO COC[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001300973764 1065783222 /nfs/dbraw/zinc/78/32/22/1065783222.db2.gz BJLPHUCKBDDFSO-NJDAHSKKSA-N 1 0 490.643 3.424 20 0 JGADRO COC[C@@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300978093 1065787738 /nfs/dbraw/zinc/78/77/38/1065787738.db2.gz BTLKQEPOQCJKJR-FQEVSTJZSA-N 1 0 453.635 3.356 20 0 JGADRO COC[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001300984553 1065795797 /nfs/dbraw/zinc/79/57/97/1065795797.db2.gz DYIBWHJAXUSNBZ-GOSISDBHSA-N 1 0 460.648 3.007 20 0 JGADRO COC[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001300992496 1065809140 /nfs/dbraw/zinc/80/91/40/1065809140.db2.gz OGCNBBBIMSELJC-ZCNNSNEGSA-N 1 0 462.639 3.307 20 0 JGADRO COC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1)OC ZINC001300995967 1065813971 /nfs/dbraw/zinc/81/39/71/1065813971.db2.gz AECPNXDKFIQVTJ-HXUWFJFHSA-N 1 0 452.603 3.430 20 0 JGADRO COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC001301022696 1065857737 /nfs/dbraw/zinc/85/77/37/1065857737.db2.gz FIXACNPTXUAMNX-MZYLBHOOSA-N 1 0 456.635 3.016 20 0 JGADRO COC[C@H](F)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001301036337 1065878280 /nfs/dbraw/zinc/87/82/80/1065878280.db2.gz DDIYRWZFTAMIQE-VQTJNVASSA-N 1 0 473.597 3.002 20 0 JGADRO COC[C@H](F)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001301037500 1065878771 /nfs/dbraw/zinc/87/87/71/1065878771.db2.gz AUXCQDKAROSKNY-XUVXKRRUSA-N 1 0 479.572 3.090 20 0 JGADRO COC[C@H](F)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001301038210 1065880108 /nfs/dbraw/zinc/88/01/08/1065880108.db2.gz CRSVOFDKEMZRPD-SVFBPWRDSA-N 1 0 479.572 3.090 20 0 JGADRO COC[C@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001301043183 1065887584 /nfs/dbraw/zinc/88/75/84/1065887584.db2.gz HOHZGXPVSQQTIP-LJQANCHMSA-N 1 0 461.582 3.402 20 0 JGADRO COC[C@@H](F)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001301065262 1065915715 /nfs/dbraw/zinc/91/57/15/1065915715.db2.gz FCZBAWXDTCKTGE-LEWJYISDSA-N 1 0 494.656 3.442 20 0 JGADRO COC[C@H](F)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301070168 1065922173 /nfs/dbraw/zinc/92/21/73/1065922173.db2.gz SUAZCPVUSGAVAD-WOJBJXKFSA-N 1 0 480.629 3.052 20 0 JGADRO COC[C@H](F)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001301076425 1065925924 /nfs/dbraw/zinc/92/59/24/1065925924.db2.gz LAIALWIJTNSFPP-BHDDXSALSA-N 1 0 458.626 3.252 20 0 JGADRO COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001301077506 1065926733 /nfs/dbraw/zinc/92/67/33/1065926733.db2.gz QKNBGTVNARFAPE-VAMGGRTRSA-N 1 0 492.665 3.345 20 0 JGADRO COC[C@H](F)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001301077951 1065927855 /nfs/dbraw/zinc/92/78/55/1065927855.db2.gz SOWNTYFSDKARBO-FCHUYYIVSA-N 1 0 472.653 3.500 20 0 JGADRO COCC1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001301078304 1065928370 /nfs/dbraw/zinc/92/83/70/1065928370.db2.gz WLBCBNLCZLKSOL-HXUWFJFHSA-N 1 0 469.634 3.443 20 0 JGADRO COC[C@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001301078971 1065929082 /nfs/dbraw/zinc/92/90/82/1065929082.db2.gz WHKLDGZTWAZQDO-JOCHJYFZSA-N 1 0 461.630 3.217 20 0 JGADRO COC[C@H](F)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001301082091 1065932227 /nfs/dbraw/zinc/93/22/27/1065932227.db2.gz LAEKLOMFKWKSOU-IEBWSBKVSA-N 1 0 484.041 3.367 20 0 JGADRO COCC1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001301089840 1065939568 /nfs/dbraw/zinc/93/95/68/1065939568.db2.gz CSPAMDQLLVBOFK-LJQANCHMSA-N 1 0 463.026 3.093 20 0 JGADRO COCC1(C)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001301090146 1065939942 /nfs/dbraw/zinc/93/99/42/1065939942.db2.gz LASQRDUCRDDNFU-JOCHJYFZSA-N 1 0 481.649 3.150 20 0 JGADRO COCC1(C)CCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001301092807 1065941490 /nfs/dbraw/zinc/94/14/90/1065941490.db2.gz RSYOGFSAJAVDBD-JOCHJYFZSA-N 1 0 498.672 3.149 20 0 JGADRO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001301112591 1065957870 /nfs/dbraw/zinc/95/78/70/1065957870.db2.gz YNLQIQWANHHWLN-HXUWFJFHSA-N 1 0 459.591 3.021 20 0 JGADRO COCc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001301170961 1066004516 /nfs/dbraw/zinc/00/45/16/1066004516.db2.gz ALQQXQZSTUVRTM-UHFFFAOYSA-N 1 0 482.654 3.431 20 0 JGADRO COCc1cccc(Cn2c(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)c1 ZINC001301172624 1066006675 /nfs/dbraw/zinc/00/66/75/1066006675.db2.gz XPMJONSNEHHIHW-XMMPIXPASA-N 1 0 484.689 3.002 20 0 JGADRO O=C(c1c(F)c(Br)ccc1I)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001301181145 1066011888 /nfs/dbraw/zinc/01/18/88/1066011888.db2.gz NHBVEUNRZHIDAG-SECBINFHSA-N 1 0 453.093 3.113 20 0 JGADRO COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001301185748 1066015729 /nfs/dbraw/zinc/01/57/29/1066015729.db2.gz SPQLUOLKBAPHRP-JOCHJYFZSA-N 1 0 487.670 3.252 20 0 JGADRO COCC1=CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001301188290 1066017864 /nfs/dbraw/zinc/01/78/64/1066017864.db2.gz LXNKJKJRLLHZRB-WOJBJXKFSA-N 1 0 485.629 3.245 20 0 JGADRO COCC1=CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001301194458 1066021468 /nfs/dbraw/zinc/02/14/68/1066021468.db2.gz NSXYJAFQSUJQGN-FQEVSTJZSA-N 1 0 457.594 3.292 20 0 JGADRO COCC1=CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001301195345 1066021894 /nfs/dbraw/zinc/02/18/94/1066021894.db2.gz UQROUKUWTSUIAU-SIKLNZKXSA-N 1 0 487.670 3.093 20 0 JGADRO COCC1=CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001301194820 1066022000 /nfs/dbraw/zinc/02/20/00/1066022000.db2.gz QSEUHRRJGBAGJL-UHFFFAOYSA-N 1 0 460.022 3.152 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001301228669 1066047666 /nfs/dbraw/zinc/04/76/66/1066047666.db2.gz UHFHZHONOHWMGM-OAQYLSRUSA-N 1 0 460.667 3.422 20 0 JGADRO COC[C@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCCCCC2)C1 ZINC001301231207 1066050289 /nfs/dbraw/zinc/05/02/89/1066050289.db2.gz LWCSWIVVVBKKTM-DHLKQENFSA-N 1 0 463.667 3.448 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCC[NH+](C)C)C1 ZINC001301235754 1066053330 /nfs/dbraw/zinc/05/33/30/1066053330.db2.gz KCTZGWBRXUUFHM-FQEVSTJZSA-N 1 0 454.619 3.268 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001301237321 1066055108 /nfs/dbraw/zinc/05/51/08/1066055108.db2.gz DLBSOIONHCCCAH-HXUWFJFHSA-N 1 0 487.645 3.062 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001301247864 1066064975 /nfs/dbraw/zinc/06/49/75/1066064975.db2.gz BBWDEFVAIZDAGT-SIKLNZKXSA-N 1 0 472.609 3.095 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001301253198 1066069528 /nfs/dbraw/zinc/06/95/28/1066069528.db2.gz ZFWSEETYSFAJSS-IDISGSTGSA-N 1 0 485.673 3.474 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001301256938 1066071223 /nfs/dbraw/zinc/07/12/23/1066071223.db2.gz SNJZWXOENJRQGX-HXUWFJFHSA-N 1 0 456.635 3.168 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001301261025 1066076016 /nfs/dbraw/zinc/07/60/16/1066076016.db2.gz IJDGKQPDMGZRCF-HZPDHXFCSA-N 1 0 465.440 3.392 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301265306 1066081386 /nfs/dbraw/zinc/08/13/86/1066081386.db2.gz KVXDPEIOPCLLJC-HBMCJLEFSA-N 1 0 457.619 3.316 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001301268953 1066083540 /nfs/dbraw/zinc/08/35/40/1066083540.db2.gz RADOWJOTXYAXQZ-FQEVSTJZSA-N 1 0 450.587 3.192 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001301283091 1066091082 /nfs/dbraw/zinc/09/10/82/1066091082.db2.gz NUJSCUMBBKKLMM-JPYJTQIMSA-N 1 0 463.623 3.296 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001301284029 1066092010 /nfs/dbraw/zinc/09/20/10/1066092010.db2.gz SJMVCWAGXSWDRY-HSZRJFAPSA-N 1 0 451.619 3.112 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001301284236 1066092369 /nfs/dbraw/zinc/09/23/69/1066092369.db2.gz UPMPWQXAYMWDQN-LJQANCHMSA-N 1 0 474.675 3.254 20 0 JGADRO COCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001301285983 1066094105 /nfs/dbraw/zinc/09/41/05/1066094105.db2.gz KXNSVYSUSXWIQA-QHCPKHFHSA-N 1 0 468.646 3.425 20 0 JGADRO COC[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001301287629 1066095413 /nfs/dbraw/zinc/09/54/13/1066095413.db2.gz SXRSRGYFARXESD-HXUWFJFHSA-N 1 0 454.619 3.494 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001301293258 1066098258 /nfs/dbraw/zinc/09/82/58/1066098258.db2.gz GJXUSDGEZOSFJI-NQIIRXRSSA-N 1 0 479.572 3.376 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001301295052 1066100173 /nfs/dbraw/zinc/10/01/73/1066100173.db2.gz QBRGBUBWELBAKD-YOEHRIQHSA-N 1 0 463.380 3.404 20 0 JGADRO COCC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001301306825 1066110178 /nfs/dbraw/zinc/11/01/78/1066110178.db2.gz OFPNNHFYYKANIG-UHFFFAOYSA-N 1 0 452.603 3.135 20 0 JGADRO COC[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301342707 1066132684 /nfs/dbraw/zinc/13/26/84/1066132684.db2.gz HLFMEZAHWAEODJ-SFTDATJTSA-N 1 0 457.619 3.459 20 0 JGADRO 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COC[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC001301360647 1066153376 /nfs/dbraw/zinc/15/33/76/1066153376.db2.gz TZWNKSQQYVSOTM-YRNRMSPPSA-N 1 0 465.545 3.269 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001301360408 1066153389 /nfs/dbraw/zinc/15/33/89/1066153389.db2.gz KBTGDIPZYZQBOH-RUZDIDTESA-N 1 0 498.716 3.368 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001301362297 1066156547 /nfs/dbraw/zinc/15/65/47/1066156547.db2.gz ZVQPDRDMQNCLSW-SJLPKXTDSA-N 1 0 496.425 3.430 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001301362475 1066156911 /nfs/dbraw/zinc/15/69/11/1066156911.db2.gz VVIASPCVXJENHR-ICSRJNTNSA-N 1 0 478.435 3.208 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)C2)ccn1 ZINC001301364283 1066159947 /nfs/dbraw/zinc/15/99/47/1066159947.db2.gz JGZFQHPXXNZDGM-SONWIMMPSA-N 1 0 468.573 3.260 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001301367742 1066161489 /nfs/dbraw/zinc/16/14/89/1066161489.db2.gz GBSMSOMCRZVOGM-LXZJYRNTSA-N 1 0 493.052 3.121 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001301367743 1066161503 /nfs/dbraw/zinc/16/15/03/1066161503.db2.gz GBSMSOMCRZVOGM-XSYGEPLQSA-N 1 0 493.052 3.121 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001301368144 1066162124 /nfs/dbraw/zinc/16/21/24/1066162124.db2.gz IBUNKYZGSOKPHY-HBFSDRIKSA-N 1 0 496.027 3.479 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H](C)O1 ZINC001301373706 1066167209 /nfs/dbraw/zinc/16/72/09/1066167209.db2.gz FUHVQMXDPAQQHE-ONTIZHBOSA-N 1 0 457.619 3.314 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001301376644 1066170170 /nfs/dbraw/zinc/17/01/70/1066170170.db2.gz UYXUWTKZPXXFHH-FUHWJXTLSA-N 1 0 494.434 3.052 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001301377537 1066171119 /nfs/dbraw/zinc/17/11/19/1066171119.db2.gz ZNGVMOJJCQGIQB-PZJWPPBQSA-N 1 0 487.645 3.324 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301382012 1066172351 /nfs/dbraw/zinc/17/23/51/1066172351.db2.gz BPAKZHYMAMXHBV-SVFBPWRDSA-N 1 0 456.635 3.257 20 0 JGADRO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001301387644 1066174236 /nfs/dbraw/zinc/17/42/36/1066174236.db2.gz KVDQVDVAADHDOI-MQFRRQCYSA-N 1 0 457.619 3.280 20 0 JGADRO COC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001301387516 1066174251 /nfs/dbraw/zinc/17/42/51/1066174251.db2.gz MLFWZAJLYCGLFD-SIKLNZKXSA-N 1 0 459.610 3.370 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H](C)O1 ZINC001301395301 1066176776 /nfs/dbraw/zinc/17/67/76/1066176776.db2.gz 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COCC[N@H+](C)CCn1c(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nnc1C(C)(C)C ZINC001301741680 1066663173 /nfs/dbraw/zinc/66/31/73/1066663173.db2.gz RVEBETAZQUTUHX-UHFFFAOYSA-N 1 0 478.041 3.057 20 0 JGADRO COCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(OC)cc2C1 ZINC001301741488 1066663240 /nfs/dbraw/zinc/66/32/40/1066663240.db2.gz QFHBWWQNELEIHE-DHIUTWEWSA-N 1 0 471.646 3.346 20 0 JGADRO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301742758 1066665715 /nfs/dbraw/zinc/66/57/15/1066665715.db2.gz CBNNITUDFYQTEY-SFHVURJKSA-N 1 0 460.573 3.080 20 0 JGADRO COCCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCCCC2)C1 ZINC001302188727 1066667142 /nfs/dbraw/zinc/66/71/42/1066667142.db2.gz BDDHNKYSAMOEJN-BHDDXSALSA-N 1 0 463.667 3.314 20 0 JGADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC001301743393 1066667526 /nfs/dbraw/zinc/66/75/26/1066667526.db2.gz SOCFFHZKWPCADK-IBGZPJMESA-N 1 0 487.718 3.449 20 0 JGADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001302190919 1066672828 /nfs/dbraw/zinc/67/28/28/1066672828.db2.gz JKRMEFYCEJVQHM-UHFFFAOYSA-N 1 0 469.663 3.491 20 0 JGADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCOC2)CC1 ZINC001302191027 1066673294 /nfs/dbraw/zinc/67/32/94/1066673294.db2.gz NQCVIIMEJZODJX-QHCPKHFHSA-N 1 0 466.001 3.447 20 0 JGADRO CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001301745946 1066673959 /nfs/dbraw/zinc/67/39/59/1066673959.db2.gz YTZIKTNQFUYHCS-QFIPXVFZSA-N 1 0 452.647 3.356 20 0 JGADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCCc2ccccc2)CC1 ZINC001302191737 1066674684 /nfs/dbraw/zinc/67/46/84/1066674684.db2.gz AAPYEBKPIQWIAG-JOCHJYFZSA-N 1 0 468.646 3.047 20 0 JGADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)Nc2ccccc2)CC1 ZINC001302191770 1066674733 /nfs/dbraw/zinc/67/47/33/1066674733.db2.gz AZLPUQSSKGVECL-HXUWFJFHSA-N 1 0 454.619 3.369 20 0 JGADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001302192844 1066677473 /nfs/dbraw/zinc/67/74/73/1066677473.db2.gz MATLTLARTDGGJZ-OAQYLSRUSA-N 1 0 454.619 3.225 20 0 JGADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001302192842 1066677506 /nfs/dbraw/zinc/67/75/06/1066677506.db2.gz MATLTLARTDGGJZ-NRFANRHFSA-N 1 0 454.619 3.225 20 0 JGADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCOCc2ccccc2)CC1 ZINC001302192630 1066677573 /nfs/dbraw/zinc/67/75/73/1066677573.db2.gz JZNQRSXBRNBZGS-UHFFFAOYSA-N 1 0 468.646 3.176 20 0 JGADRO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001301750586 1066680320 /nfs/dbraw/zinc/68/03/20/1066680320.db2.gz VYMAXYYBMXDWKE-NRFANRHFSA-N 1 0 452.647 3.385 20 0 JGADRO CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@H](c2ccco2)[NH+](C)C)[C@H](C)C1 ZINC001301750682 1066681211 /nfs/dbraw/zinc/68/12/11/1066681211.db2.gz XILOFCQZOSHXLO-DENIHFKCSA-N 1 0 450.587 3.016 20 0 JGADRO CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](c2ccco2)[NH+](C)C)[C@H](C)C1 ZINC001301750684 1066681222 /nfs/dbraw/zinc/68/12/22/1066681222.db2.gz XILOFCQZOSHXLO-KNQAVFIVSA-N 1 0 450.587 3.016 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccsc2Br)CC1 ZINC001302194602 1066682335 /nfs/dbraw/zinc/68/23/35/1066682335.db2.gz HEGRMSWBXIXXFC-OAHLLOKOSA-N 1 0 481.464 3.412 20 0 JGADRO COCCOC[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001302195153 1066683766 /nfs/dbraw/zinc/68/37/66/1066683766.db2.gz MEXKGUKQPJEKNA-IBGZPJMESA-N 1 0 477.650 3.401 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001302195200 1066683798 /nfs/dbraw/zinc/68/37/98/1066683798.db2.gz OCWAXHDPVQJUAR-UHFFFAOYSA-N 1 0 460.648 3.008 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001302195995 1066685943 /nfs/dbraw/zinc/68/59/43/1066685943.db2.gz XXCIDYJHOVNLCA-GOSISDBHSA-N 1 0 463.623 3.362 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)CC1 ZINC001302196090 1066686434 /nfs/dbraw/zinc/68/64/34/1066686434.db2.gz ZXYCIBSRYDSBEX-UHFFFAOYSA-N 1 0 471.556 3.185 20 0 JGADRO COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CC[C@H](C)C1 ZINC001301757353 1066690438 /nfs/dbraw/zinc/69/04/38/1066690438.db2.gz LQKBPUCFMPGALV-FNAHDJPLSA-N 1 0 495.734 3.332 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cc(F)c(F)c2F)CC1 ZINC001302199347 1066691446 /nfs/dbraw/zinc/69/14/46/1066691446.db2.gz BWXGXJIKNOMVJY-UHFFFAOYSA-N 1 0 468.499 3.039 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001302199306 1066691512 /nfs/dbraw/zinc/69/15/12/1066691512.db2.gz AXVMQCIYCSQAKM-UHFFFAOYSA-N 1 0 451.681 3.289 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 ZINC001302199793 1066692022 /nfs/dbraw/zinc/69/20/22/1066692022.db2.gz HQSXURZLLXFQLM-FQEVSTJZSA-N 1 0 464.010 3.237 20 0 JGADRO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001301758634 1066694668 /nfs/dbraw/zinc/69/46/68/1066694668.db2.gz KESGLTOSSBTSAC-OAQYLSRUSA-N 1 0 466.586 3.038 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCOc2ccccc2Cl)CC1 ZINC001302200690 1066694753 /nfs/dbraw/zinc/69/47/53/1066694753.db2.gz RFRWIGVAOLZBKK-UHFFFAOYSA-N 1 0 475.037 3.444 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CC2)CC1 ZINC001302201058 1066695926 /nfs/dbraw/zinc/69/59/26/1066695926.db2.gz WGSRQZRIURBZPB-UHFFFAOYSA-N 1 0 478.435 3.455 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001302201724 1066696654 /nfs/dbraw/zinc/69/66/54/1066696654.db2.gz BOGBHJGZOZRMKB-SFHVURJKSA-N 1 0 464.561 3.180 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCSC2)CC1 ZINC001302202061 1066697342 /nfs/dbraw/zinc/69/73/42/1066697342.db2.gz CDFDJBKLORIYHJ-KRWDZBQOSA-N 1 0 463.673 3.022 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)NCC2CC2)CC1 ZINC001302202863 1066698544 /nfs/dbraw/zinc/69/85/44/1066698544.db2.gz LCHFGHARVZLWAD-UHFFFAOYSA-N 1 0 493.425 3.293 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2CCOC2)CC1 ZINC001302202873 1066698710 /nfs/dbraw/zinc/69/87/10/1066698710.db2.gz LQJHANXIYGSIQF-OAHLLOKOSA-N 1 0 451.413 3.383 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCCCC2=O)CC1 ZINC001302203063 1066699061 /nfs/dbraw/zinc/69/90/61/1066699061.db2.gz NHZDHHDCEOXEPN-UHFFFAOYSA-N 1 0 468.646 3.223 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001302203216 1066699080 /nfs/dbraw/zinc/69/90/80/1066699080.db2.gz QDFBJJAYOHMLMY-INIZCTEOSA-N 1 0 467.540 3.144 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2c(F)cccc2F)CC1 ZINC001302203343 1066699948 /nfs/dbraw/zinc/69/99/48/1066699948.db2.gz OGGANRLDWUAPTD-UHFFFAOYSA-N 1 0 469.540 3.367 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)CC1 ZINC001302203252 1066699960 /nfs/dbraw/zinc/69/99/60/1066699960.db2.gz QKDXERWYKPFOBD-QFIPXVFZSA-N 1 0 484.428 3.236 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001302203738 1066700428 /nfs/dbraw/zinc/70/04/28/1066700428.db2.gz URTNMGHIXWOGDP-GOSISDBHSA-N 1 0 480.535 3.291 20 0 JGADRO CC(C)(C)n1ncnc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001302204112 1066701356 /nfs/dbraw/zinc/70/13/56/1066701356.db2.gz WDOCVBQLPYORRG-UHFFFAOYSA-N 1 0 458.014 3.309 20 0 JGADRO COCCOCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001302207541 1066704565 /nfs/dbraw/zinc/70/45/65/1066704565.db2.gz GICVBKPSPIKHGD-UHFFFAOYSA-N 1 0 497.482 3.410 20 0 JGADRO COCCOCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302207956 1066705056 /nfs/dbraw/zinc/70/50/56/1066705056.db2.gz ABVZIDIWVWCMRT-UHFFFAOYSA-N 1 0 478.435 3.435 20 0 JGADRO CC(C)(C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001302210591 1066709686 /nfs/dbraw/zinc/70/96/86/1066709686.db2.gz OJBSOEJJPPSEOT-UHFFFAOYSA-N 1 0 456.610 3.377 20 0 JGADRO CC(C)(C)NC(=O)CCn1c(N2CC[NH+](C3Cc4ccccc4C3)CC2)nnc1C(C)(C)C ZINC001302210664 1066710131 /nfs/dbraw/zinc/71/01/31/1066710131.db2.gz HYEOUTJXSLXTQK-UHFFFAOYSA-N 1 0 452.647 3.170 20 0 JGADRO COCCN(CC(C)C)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301772606 1066716551 /nfs/dbraw/zinc/71/65/51/1066716551.db2.gz OLMIRXTUTBEKHY-QHAWAJNXSA-N 1 0 451.656 3.169 20 0 JGADRO CC(C)(C)NC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCCC2)CC1 ZINC001302213916 1066716749 /nfs/dbraw/zinc/71/67/49/1066716749.db2.gz MNEIJFAIUMGQOG-UHFFFAOYSA-N 1 0 467.662 3.179 20 0 JGADRO CC(=O)Nc1ccc(Cn2c(C(C)C)nnc2N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC001301778475 1066726190 /nfs/dbraw/zinc/72/61/90/1066726190.db2.gz DMESBMXMFTWBGC-UHFFFAOYSA-N 1 0 495.672 3.227 20 0 JGADRO CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC001301778459 1066726197 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CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001302433275 1067023668 /nfs/dbraw/zinc/02/36/68/1067023668.db2.gz JHSCNEMHVWUVIS-VABKMULXSA-N 1 0 474.694 3.425 20 0 JGADRO CS(=O)(=O)[C@H]1CCCCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2CCCCC2)C1 ZINC001302434619 1067027153 /nfs/dbraw/zinc/02/71/53/1067027153.db2.gz LDTDFOZNZQSHGX-FQEVSTJZSA-N 1 0 465.689 3.210 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001302435278 1067029038 /nfs/dbraw/zinc/02/90/38/1067029038.db2.gz SOOOSKCLFCCOGP-RDPSFJRHSA-N 1 0 490.743 3.356 20 0 JGADRO CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001302442810 1067040367 /nfs/dbraw/zinc/04/03/67/1067040367.db2.gz ACTZMWVFQLZMFB-HSZRJFAPSA-N 1 0 482.673 3.435 20 0 JGADRO CC1=C(Br)CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001303998918 1067041304 /nfs/dbraw/zinc/04/13/04/1067041304.db2.gz KMCXCCQVJGTNBO-UHFFFAOYSA-N 1 0 462.396 3.145 20 0 JGADRO CC1=C(Br)CN(c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001303999601 1067043007 /nfs/dbraw/zinc/04/30/07/1067043007.db2.gz NCXIUBWNECWHBL-UHFFFAOYSA-N 1 0 465.440 3.268 20 0 JGADRO CC1=C(Br)CN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001304000868 1067044426 /nfs/dbraw/zinc/04/44/26/1067044426.db2.gz DIGHBQFOUWBRAJ-FQEVSTJZSA-N 1 0 450.356 3.030 20 0 JGADRO CS(=O)(=O)CCCCCn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001302448456 1067047493 /nfs/dbraw/zinc/04/74/93/1067047493.db2.gz SFSQWXREFFGPNM-UHFFFAOYSA-N 1 0 460.648 3.010 20 0 JGADRO Cc1ccoc1C(=O)NCCCn1c(C(C)C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001304006551 1067049257 /nfs/dbraw/zinc/04/92/57/1067049257.db2.gz YLKRACBLUXFAPS-SZPZYZBQSA-N 1 0 485.677 3.118 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)c1C ZINC001304009759 1067052181 /nfs/dbraw/zinc/05/21/81/1067052181.db2.gz FSQHJINBKRCCTH-OAQYLSRUSA-N 1 0 481.645 3.043 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCC(C)CC2)c1C ZINC001304010888 1067053118 /nfs/dbraw/zinc/05/31/18/1067053118.db2.gz NJLIAAGROKOCPH-UHFFFAOYSA-N 1 0 464.618 3.102 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@@H+]2C2CC2)c1C ZINC001304011245 1067053842 /nfs/dbraw/zinc/05/38/42/1067053842.db2.gz QUOJWMQCYJBMDO-OAQYLSRUSA-N 1 0 481.645 3.125 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cccn2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001302453126 1067055412 /nfs/dbraw/zinc/05/54/12/1067055412.db2.gz NNUVRBOWQRZVTB-UHFFFAOYSA-N 1 0 477.657 3.329 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001304012523 1067055794 /nfs/dbraw/zinc/05/57/94/1067055794.db2.gz FRXSDRKJHAWYMH-PZJWPPBQSA-N 1 0 454.619 3.348 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC001304018397 1067062168 /nfs/dbraw/zinc/06/21/68/1067062168.db2.gz JDGBXAMFDXSMPT-QZNHQXDQSA-N 1 0 498.672 3.203 20 0 JGADRO CS(=O)(=O)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001302459556 1067062227 /nfs/dbraw/zinc/06/22/27/1067062227.db2.gz PZAWTIAUSGRKPO-HXUWFJFHSA-N 1 0 480.078 3.269 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304022459 1067066654 /nfs/dbraw/zinc/06/66/54/1067066654.db2.gz CYODCYNMZVKOQK-TZIWHRDSSA-N 1 0 468.646 3.434 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304023530 1067068897 /nfs/dbraw/zinc/06/88/97/1067068897.db2.gz NKRYCBLGYBIRDD-CEWLAPEOSA-N 1 0 468.646 3.480 20 0 JGADRO CS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001302464648 1067068935 /nfs/dbraw/zinc/06/89/35/1067068935.db2.gz ALQIRBPPNBFLDO-UHFFFAOYSA-N 1 0 477.650 3.145 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CCOCC[NH+](C)C)c1C ZINC001304024140 1067069413 /nfs/dbraw/zinc/06/94/13/1067069413.db2.gz QJMSDBNJWOWOMK-QFIPXVFZSA-N 1 0 498.672 3.062 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cn4cncn4)CC3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304024545 1067069812 /nfs/dbraw/zinc/06/98/12/1067069812.db2.gz SJBLASCGUVWWJC-TZIWHRDSSA-N 1 0 466.634 3.493 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCS(C)(=O)=O)c1C ZINC001304025988 1067072061 /nfs/dbraw/zinc/07/20/61/1067072061.db2.gz KOLZEZNWAOLXRG-RTWAWAEBSA-N 1 0 475.659 3.144 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001304026377 1067073491 /nfs/dbraw/zinc/07/34/91/1067073491.db2.gz RUSWCSHIBLYOBU-LEWJYISDSA-N 1 0 477.675 3.389 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001304026379 1067073570 /nfs/dbraw/zinc/07/35/70/1067073570.db2.gz RUSWCSHIBLYOBU-RTWAWAEBSA-N 1 0 477.675 3.389 20 0 JGADRO CC(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001302470670 1067074715 /nfs/dbraw/zinc/07/47/15/1067074715.db2.gz USDCLBQGBVLWST-PKTZIBPZSA-N 1 0 468.646 3.393 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2CCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001304029187 1067076954 /nfs/dbraw/zinc/07/69/54/1067076954.db2.gz KGFSFCDJWBLJEX-CTNGQTDRSA-N 1 0 454.619 3.236 20 0 JGADRO CC(C)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001302476713 1067078570 /nfs/dbraw/zinc/07/85/70/1067078570.db2.gz DSLZQDBNWOTXSJ-OAQYLSRUSA-N 1 0 460.667 3.240 20 0 JGADRO CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001302477407 1067078959 /nfs/dbraw/zinc/07/89/59/1067078959.db2.gz APGNLOBKSZQURE-MDNUFGMLSA-N 1 0 468.646 3.391 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC001304030910 1067079063 /nfs/dbraw/zinc/07/90/63/1067079063.db2.gz RCFRZMMTGBQVCK-VXKWHMMOSA-N 1 0 468.646 3.339 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCNC(=O)C2CC2)c1C ZINC001304031744 1067080293 /nfs/dbraw/zinc/08/02/93/1067080293.db2.gz XJKBOBQLZDZVTC-OAQYLSRUSA-N 1 0 468.646 3.339 20 0 JGADRO CC(C)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001302482797 1067081659 /nfs/dbraw/zinc/08/16/59/1067081659.db2.gz QOMQPKXZIZIDBE-UHFFFAOYSA-N 1 0 450.635 3.392 20 0 JGADRO Cc1nc([C@@H]2CCCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(C)(C)C[NH+](C)C)C2)sc1C ZINC001304044209 1067086441 /nfs/dbraw/zinc/08/64/41/1067086441.db2.gz CUGPJXSWIQENOT-RTBURBONSA-N 1 0 494.731 3.225 20 0 JGADRO Cc1nc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)sc1C ZINC001304051404 1067093071 /nfs/dbraw/zinc/09/30/71/1067093071.db2.gz PTIAQUTYFMQSMC-UHFFFAOYSA-N 1 0 488.683 3.391 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001304057374 1067097610 /nfs/dbraw/zinc/09/76/10/1067097610.db2.gz OREPQQITLOKTLW-UHFFFAOYSA-N 1 0 491.706 3.140 20 0 JGADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC(=O)NC(C)C)n1CC[NH+]1CCSCC1 ZINC001304058054 1067100125 /nfs/dbraw/zinc/10/01/25/1067100125.db2.gz HTYHLGJAVRFEHN-UHFFFAOYSA-N 1 0 499.710 3.387 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001302502539 1067101079 /nfs/dbraw/zinc/10/10/79/1067101079.db2.gz DJZCAGNNCXAPED-NRFANRHFSA-N 1 0 489.709 3.010 20 0 JGADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCOCC[NH+](C)C ZINC001304059218 1067101800 /nfs/dbraw/zinc/10/18/00/1067101800.db2.gz PSRZABWPTBPAIA-XLIONFOSSA-N 1 0 470.643 3.162 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001302502934 1067102317 /nfs/dbraw/zinc/10/23/17/1067102317.db2.gz GYISVLHKZQMKIV-OALUTQOASA-N 1 0 453.635 3.200 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001302503967 1067104321 /nfs/dbraw/zinc/10/43/21/1067104321.db2.gz QCQBWKMISGHPCX-MHECFPHRSA-N 1 0 462.708 3.360 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001302509302 1067114661 /nfs/dbraw/zinc/11/46/61/1067114661.db2.gz BZLWDVKLXBYZTC-RBBKRZOGSA-N 1 0 462.683 3.278 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001304073684 1067118199 /nfs/dbraw/zinc/11/81/99/1067118199.db2.gz GAUFCDTXUCNYCL-GOSISDBHSA-N 1 0 459.595 3.260 20 0 JGADRO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+]1CCCC1 ZINC001302512106 1067124187 /nfs/dbraw/zinc/12/41/87/1067124187.db2.gz BHPGZNSYENJYGH-QYZOEREBSA-N 1 0 457.648 3.376 20 0 JGADRO Cc1occc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCOCC[NH+](C)C ZINC001304079562 1067124268 /nfs/dbraw/zinc/12/42/68/1067124268.db2.gz OCLFSLAMGHJOEO-UHFFFAOYSA-N 1 0 451.369 3.152 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCOCC1 ZINC001302511974 1067124298 /nfs/dbraw/zinc/12/42/98/1067124298.db2.gz AGAAVGWDMTVFHP-QFBILLFUSA-N 1 0 495.466 3.396 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)cnn1C ZINC001304079696 1067124402 /nfs/dbraw/zinc/12/44/02/1067124402.db2.gz PSWJMFNFEMEVNP-JYFHCDHNSA-N 1 0 481.645 3.300 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H](C)[NH+]2CCCCC2)cnn1C ZINC001304080097 1067125186 /nfs/dbraw/zinc/12/51/86/1067125186.db2.gz XFZAQGHJYMCRPV-IBGZPJMESA-N 1 0 499.685 3.291 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001302513101 1067127014 /nfs/dbraw/zinc/12/70/14/1067127014.db2.gz IEUVSCSNUAFTOO-FUHWJXTLSA-N 1 0 483.480 3.334 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC(F)F)cc1)[NH+]1CCOCC1 ZINC001302514294 1067130616 /nfs/dbraw/zinc/13/06/16/1067130616.db2.gz AQHUZJMCNJGOAN-NRFANRHFSA-N 1 0 489.571 3.273 20 0 JGADRO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001302514540 1067131274 /nfs/dbraw/zinc/13/12/74/1067131274.db2.gz QZRIDEJOBUVDKU-PMACEKPBSA-N 1 0 469.634 3.297 20 0 JGADRO O=C(Nc1ccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC001304086729 1067131519 /nfs/dbraw/zinc/13/15/19/1067131519.db2.gz ZSFAGVWBCQXVNS-AWEZNQCLSA-N 1 0 450.322 3.154 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@H]1C)[NH+]1CCOCC1 ZINC001302514762 1067131775 /nfs/dbraw/zinc/13/17/75/1067131775.db2.gz SLMFFNXKPBKNHI-CRAIPNDOSA-N 1 0 483.480 3.334 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@@H]1C)[NH+]1CCOCC1 ZINC001302514767 1067131831 /nfs/dbraw/zinc/13/18/31/1067131831.db2.gz SLMFFNXKPBKNHI-YJBOKZPZSA-N 1 0 483.480 3.334 20 0 JGADRO CC(C)[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001302515138 1067132803 /nfs/dbraw/zinc/13/28/03/1067132803.db2.gz IRNVZCJWBPFDKO-AVRDEDQJSA-N 1 0 472.659 3.416 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302516614 1067135670 /nfs/dbraw/zinc/13/56/70/1067135670.db2.gz WGWKEOOQIPZJHO-RTWAWAEBSA-N 1 0 486.665 3.245 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCCc1ccccn1)[NH+]1CCOCC1 ZINC001302517952 1067137527 /nfs/dbraw/zinc/13/75/27/1067137527.db2.gz CAMAEEICFTVNJB-QHCPKHFHSA-N 1 0 451.619 3.104 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302518751 1067137830 /nfs/dbraw/zinc/13/78/30/1067137830.db2.gz IATCIDSYJDRSIA-IEBWSBKVSA-N 1 0 453.557 3.466 20 0 JGADRO Cc1occc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304097241 1067138363 /nfs/dbraw/zinc/13/83/63/1067138363.db2.gz JSYVJWILYLWWHR-ROUUACIJSA-N 1 0 486.642 3.307 20 0 JGADRO CSC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001302518849 1067138517 /nfs/dbraw/zinc/13/85/17/1067138517.db2.gz PAANRPHACLIDHE-QFIPXVFZSA-N 1 0 472.703 3.318 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302520869 1067139923 /nfs/dbraw/zinc/13/99/23/1067139923.db2.gz XUNTWWBIMNATSF-DENIHFKCSA-N 1 0 484.567 3.160 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CCOc1ccccc1)[NH+]1CCOCC1 ZINC001302520341 1067140088 /nfs/dbraw/zinc/14/00/88/1067140088.db2.gz UWLBQMIWNFWXJI-HSZRJFAPSA-N 1 0 450.587 3.212 20 0 JGADRO Cc1c(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cnn1CC(C)C ZINC001304098287 1067140692 /nfs/dbraw/zinc/14/06/92/1067140692.db2.gz ILLZWDLNICIAGQ-UHFFFAOYSA-N 1 0 484.693 3.280 20 0 JGADRO CSC(C)(C)Cn1c(-c2cnccn2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001302522694 1067142887 /nfs/dbraw/zinc/14/28/87/1067142887.db2.gz SARPFVCVPLMFNO-UHFFFAOYSA-N 1 0 466.659 3.135 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302522892 1067142897 /nfs/dbraw/zinc/14/28/97/1067142897.db2.gz GGWDYTMKFUQQSA-OALUTQOASA-N 1 0 491.624 3.469 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302523052 1067143323 /nfs/dbraw/zinc/14/33/23/1067143323.db2.gz HJJLNTYZZQNAHH-HCXYKTFWSA-N 1 0 473.634 3.028 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)N1CCOCC1 ZINC001302523379 1067144052 /nfs/dbraw/zinc/14/40/52/1067144052.db2.gz JENADBRDTQCUTM-ZEQRLZLVSA-N 1 0 476.710 3.086 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302525679 1067148596 /nfs/dbraw/zinc/14/85/96/1067148596.db2.gz RVSKLECGOONACZ-UFYCRDLUSA-N 1 0 472.600 3.365 20 0 JGADRO CSC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001302525784 1067149043 /nfs/dbraw/zinc/14/90/43/1067149043.db2.gz GBCSOIKKKQDCKX-UXHICEINSA-N 1 0 483.748 3.414 20 0 JGADRO CC(C)[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCCC1 ZINC001302527194 1067153101 /nfs/dbraw/zinc/15/31/01/1067153101.db2.gz AJOURSDSFFIFPF-GGAORHGYSA-N 1 0 452.647 3.241 20 0 JGADRO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001302528377 1067156212 /nfs/dbraw/zinc/15/62/12/1067156212.db2.gz IBRJGZXHAJKCCN-CEXWTWQISA-N 1 0 460.648 3.004 20 0 JGADRO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001302528378 1067156407 /nfs/dbraw/zinc/15/64/07/1067156407.db2.gz IBRJGZXHAJKCCN-OTWHNJEPSA-N 1 0 460.648 3.004 20 0 JGADRO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC[C@@H]1C)[NH+]1CCCC1 ZINC001302528849 1067156415 /nfs/dbraw/zinc/15/64/15/1067156415.db2.gz MRBZMFJOLRZMEP-ROUUACIJSA-N 1 0 462.689 3.332 20 0 JGADRO CC(C)[C@@H](Cn1c(N2CCC(CCC[NH+]3CCOCC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001302529008 1067157152 /nfs/dbraw/zinc/15/71/52/1067157152.db2.gz PWECYKXWAPTWOQ-XMMPIXPASA-N 1 0 490.737 3.261 20 0 JGADRO CSC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C)C1 ZINC001302533249 1067161807 /nfs/dbraw/zinc/16/18/07/1067161807.db2.gz HUXMDKQSPOJKTN-FQEVSTJZSA-N 1 0 458.676 3.010 20 0 JGADRO CSC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001302534237 1067163473 /nfs/dbraw/zinc/16/34/73/1067163473.db2.gz VRLHYOYZZMAZJJ-OYRHEFFESA-N 1 0 472.703 3.398 20 0 JGADRO CSC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302535383 1067164957 /nfs/dbraw/zinc/16/49/57/1067164957.db2.gz UMVOXHYMFFWOSX-GOSISDBHSA-N 1 0 463.623 3.296 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCCCC1 ZINC001304132256 1067170323 /nfs/dbraw/zinc/17/03/23/1067170323.db2.gz ATZYYBZRLQZQLP-UHFFFAOYSA-N 1 0 464.618 3.246 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304132728 1067170987 /nfs/dbraw/zinc/17/09/87/1067170987.db2.gz FATVNCPQNKHAPB-UHFFFAOYSA-N 1 0 456.635 3.329 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304136657 1067175410 /nfs/dbraw/zinc/17/54/10/1067175410.db2.gz UPNIMBXSIDQAMH-NBGIEHNGSA-N 1 0 486.686 3.301 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[NH+]1CCCC1 ZINC001304137899 1067177599 /nfs/dbraw/zinc/17/75/99/1067177599.db2.gz GSUFYFZWNMUICD-KOSHJBKYSA-N 1 0 475.037 3.486 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[NH+]1CCCC1 ZINC001304137902 1067177647 /nfs/dbraw/zinc/17/76/47/1067177647.db2.gz GSUFYFZWNMUICD-UUOWRZLLSA-N 1 0 475.037 3.486 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[NH+]1CCCC1 ZINC001304139130 1067179989 /nfs/dbraw/zinc/17/99/89/1067179989.db2.gz LUWNTSRPUQRLCD-RTBURBONSA-N 1 0 475.037 3.451 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304140874 1067182354 /nfs/dbraw/zinc/18/23/54/1067182354.db2.gz OCHRERHTFCYCSB-NRAIQUKZSA-N 1 0 478.037 3.369 20 0 JGADRO CS[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001302547242 1067182879 /nfs/dbraw/zinc/18/28/79/1067182879.db2.gz HLPQFHGWROWJIB-AZUAARDMSA-N 1 0 492.715 3.012 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304144367 1067186484 /nfs/dbraw/zinc/18/64/84/1067186484.db2.gz OCHRERHTFCYCSB-UAKAABGRSA-N 1 0 478.037 3.369 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)no1 ZINC001304146309 1067189444 /nfs/dbraw/zinc/18/94/44/1067189444.db2.gz BGLIXLMSFJSJDA-NRFANRHFSA-N 1 0 471.650 3.292 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCOCC3)CC2)c(C)o1 ZINC001304146586 1067190782 /nfs/dbraw/zinc/19/07/82/1067190782.db2.gz TYYYDYKFBMIFDU-GOSISDBHSA-N 1 0 486.661 3.153 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC001304146599 1067190803 /nfs/dbraw/zinc/19/08/03/1067190803.db2.gz UAGIGXOWDFMSOQ-UHFFFAOYSA-N 1 0 479.629 3.403 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CC[C@H](C)[NH+]3CCCCC3)CC2)no1 ZINC001304146859 1067191251 /nfs/dbraw/zinc/19/12/51/1067191251.db2.gz LSBUDDBDGVXVCJ-IBGZPJMESA-N 1 0 471.650 3.436 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(C4CCC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)no1 ZINC001304147143 1067191929 /nfs/dbraw/zinc/19/19/29/1067191929.db2.gz ODDMPYQGGOUCAS-HXUWFJFHSA-N 1 0 457.623 3.217 20 0 JGADRO CC(C)c1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cs1 ZINC001302555358 1067194046 /nfs/dbraw/zinc/19/40/46/1067194046.db2.gz WWTXGDDIJMCUDL-SFHVURJKSA-N 1 0 494.731 3.313 20 0 JGADRO CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001302560286 1067201050 /nfs/dbraw/zinc/20/10/50/1067201050.db2.gz CVLZBQSLXJURNY-KRWDZBQOSA-N 1 0 465.614 3.447 20 0 JGADRO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302560427 1067201209 /nfs/dbraw/zinc/20/12/09/1067201209.db2.gz DOWZPYWXOOQVET-YZUZCNPQSA-N 1 0 484.714 3.308 20 0 JGADRO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001302564308 1067203848 /nfs/dbraw/zinc/20/38/48/1067203848.db2.gz XMJWTMRDEVUVMW-GHTZIAJQSA-N 1 0 462.664 3.367 20 0 JGADRO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001302564406 1067203904 /nfs/dbraw/zinc/20/39/04/1067203904.db2.gz YNYTUXYVGVDFQR-VQIMIIECSA-N 1 0 460.604 3.142 20 0 JGADRO CS[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001302565381 1067204448 /nfs/dbraw/zinc/20/44/48/1067204448.db2.gz ZKDYTKWVZLJKME-GOSISDBHSA-N 1 0 457.623 3.205 20 0 JGADRO Cc1cc([C@@](C)(O)Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)o1 ZINC001304157152 1067205296 /nfs/dbraw/zinc/20/52/96/1067205296.db2.gz WCZLRIZQRJPVET-IZZNHLLZSA-N 1 0 489.661 3.214 20 0 JGADRO CC(C)c1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001302566459 1067205918 /nfs/dbraw/zinc/20/59/18/1067205918.db2.gz ASSJUIRXDGHXOM-YLJYHZDGSA-N 1 0 454.388 3.378 20 0 JGADRO CC(C)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302567943 1067207325 /nfs/dbraw/zinc/20/73/25/1067207325.db2.gz CIFLWSYVXIFGEW-ZEQRLZLVSA-N 1 0 481.689 3.449 20 0 JGADRO CC(C)c1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302570998 1067210853 /nfs/dbraw/zinc/21/08/53/1067210853.db2.gz DMYKDUWHLYJGGQ-UHFFFAOYSA-N 1 0 476.069 3.403 20 0 JGADRO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001304164869 1067211794 /nfs/dbraw/zinc/21/17/94/1067211794.db2.gz AVXBNPGPHHRSDO-IBGZPJMESA-N 1 0 455.546 3.286 20 0 JGADRO 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CS[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001302683913 1067309400 /nfs/dbraw/zinc/30/94/00/1067309400.db2.gz UGEWOSZFJQFKRJ-FCHUYYIVSA-N 1 0 458.676 3.223 20 0 JGADRO Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccnn3C)CC2)[NH+](C)C)cc1 ZINC001304273245 1067309277 /nfs/dbraw/zinc/30/92/77/1067309277.db2.gz JLXCJZZYMXTHMO-QHCPKHFHSA-N 1 0 478.645 3.145 20 0 JGADRO Cc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC(C)(C)OC[C@@H]2C)[NH+](C)C)cc1 ZINC001304273271 1067309571 /nfs/dbraw/zinc/30/95/71/1067309571.db2.gz JOOIHOZHFWIISC-FPOVZHCZSA-N 1 0 454.619 3.129 20 0 JGADRO CS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001302683920 1067309622 /nfs/dbraw/zinc/30/96/22/1067309622.db2.gz UGEWOSZFJQFKRJ-YADHBBJMSA-N 1 0 458.676 3.223 20 0 JGADRO CC(C)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302685977 1067311081 /nfs/dbraw/zinc/31/10/81/1067311081.db2.gz VMULZICMLSVACS-HXUWFJFHSA-N 1 0 456.545 3.099 20 0 JGADRO Cc1ccc([C@H](Cn2c(C3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001304274387 1067311310 /nfs/dbraw/zinc/31/13/10/1067311310.db2.gz MNXYBMYBKGANGF-VXKWHMMOSA-N 1 0 484.645 3.497 20 0 JGADRO Cc1ccc([C@H](Cn2c(C3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001304274388 1067311360 /nfs/dbraw/zinc/31/13/60/1067311360.db2.gz MNXYBMYBKGANGF-YADHBBJMSA-N 1 0 484.645 3.497 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001304275144 1067312489 /nfs/dbraw/zinc/31/24/89/1067312489.db2.gz SLWFMMFITKGHCA-SANMLTNESA-N 1 0 468.646 3.298 20 0 JGADRO Cc1ccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](CC(N)=O)C2)[NH+](C)C)cc1 ZINC001304275333 1067312942 /nfs/dbraw/zinc/31/29/42/1067312942.db2.gz PHJDSASCQXLLJJ-NZQKXSOJSA-N 1 0 461.614 3.352 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001302688669 1067313290 /nfs/dbraw/zinc/31/32/90/1067313290.db2.gz CXLSCVVCOLJVJZ-HSZRJFAPSA-N 1 0 473.710 3.191 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302689107 1067313488 /nfs/dbraw/zinc/31/34/88/1067313488.db2.gz HFTBLKQYHIVFJA-UHFFFAOYSA-N 1 0 471.625 3.177 20 0 JGADRO Cc1ccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)[NH+](C)C)cc1 ZINC001304275989 1067314075 /nfs/dbraw/zinc/31/40/75/1067314075.db2.gz RDICLZLKEAZINO-RTBURBONSA-N 1 0 473.419 3.329 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001304276034 1067314450 /nfs/dbraw/zinc/31/44/50/1067314450.db2.gz RZQROOSOXFLBAN-WOVHNISZSA-N 1 0 468.646 3.482 20 0 JGADRO CC(C)c1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302690098 1067315061 /nfs/dbraw/zinc/31/50/61/1067315061.db2.gz QDKDHBKGCASLFK-HSZRJFAPSA-N 1 0 484.689 3.228 20 0 JGADRO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC001304277020 1067315585 /nfs/dbraw/zinc/31/55/85/1067315585.db2.gz XNEVFNBZXVQSQE-REWPJTCUSA-N 1 0 482.654 3.355 20 0 JGADRO CSC[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302690977 1067316122 /nfs/dbraw/zinc/31/61/22/1067316122.db2.gz UHGLKHPBZFCDKE-PZJWPPBQSA-N 1 0 456.660 3.366 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001302691032 1067316180 /nfs/dbraw/zinc/31/61/80/1067316180.db2.gz AWCRXMRYFIXMHA-KRWDZBQOSA-N 1 0 452.525 3.217 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302690976 1067316212 /nfs/dbraw/zinc/31/62/12/1067316212.db2.gz UHGLKHPBZFCDKE-FPOVZHCZSA-N 1 0 456.660 3.366 20 0 JGADRO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001302692172 1067317747 /nfs/dbraw/zinc/31/77/47/1067317747.db2.gz GXFPKTQSJXFBKT-VQTJNVASSA-N 1 0 454.610 3.068 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001302692869 1067318123 /nfs/dbraw/zinc/31/81/23/1067318123.db2.gz PNIBKBKXCMXNBG-IBGZPJMESA-N 1 0 464.655 3.206 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001302692590 1067318286 /nfs/dbraw/zinc/31/82/86/1067318286.db2.gz LXUYYGXDTPSZMZ-GOSISDBHSA-N 1 0 481.567 3.476 20 0 JGADRO Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)N2CCOCC2)o1 ZINC001304278980 1067318945 /nfs/dbraw/zinc/31/89/45/1067318945.db2.gz OSYQOBOYMMHNMM-NRFANRHFSA-N 1 0 458.651 3.372 20 0 JGADRO CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001302693893 1067319057 /nfs/dbraw/zinc/31/90/57/1067319057.db2.gz YRWTWVLSSXXJCW-QFIPXVFZSA-N 1 0 492.615 3.282 20 0 JGADRO CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001302693890 1067319302 /nfs/dbraw/zinc/31/93/02/1067319302.db2.gz YLUOMMGGPVAXRF-FQEVSTJZSA-N 1 0 484.645 3.406 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+](C)C(C)C ZINC001302696005 1067321312 /nfs/dbraw/zinc/32/13/12/1067321312.db2.gz KDMBDSIOIRDKLP-SFHVURJKSA-N 1 0 479.720 3.219 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001304280945 1067321286 /nfs/dbraw/zinc/32/12/86/1067321286.db2.gz APPDVHLKQRIZQF-YADHBBJMSA-N 1 0 468.646 3.296 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302696504 1067322070 /nfs/dbraw/zinc/32/20/70/1067322070.db2.gz PDMQTNSGZYTMNX-SJORKVTESA-N 1 0 483.480 3.214 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001304281454 1067322240 /nfs/dbraw/zinc/32/22/40/1067322240.db2.gz BAXOVBMTYLOHQT-FQEVSTJZSA-N 1 0 468.646 3.309 20 0 JGADRO CC(C)c1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001302697759 1067322889 /nfs/dbraw/zinc/32/28/89/1067322889.db2.gz IDOCMITYHDXDDC-LADGPHEKSA-N 1 0 454.663 3.328 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001304282877 1067323816 /nfs/dbraw/zinc/32/38/16/1067323816.db2.gz QAJVJYIHIXHUPE-NRFANRHFSA-N 1 0 468.646 3.440 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001304283267 1067324101 /nfs/dbraw/zinc/32/41/01/1067324101.db2.gz SLNGEKYNOWHWQV-UHFFFAOYSA-N 1 0 468.646 3.298 20 0 JGADRO CC(C)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302705363 1067327703 /nfs/dbraw/zinc/32/77/03/1067327703.db2.gz VUJSJJJBAFUIFJ-KNQAVFIVSA-N 1 0 463.573 3.495 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(O)CCSC2)c1 ZINC001304286564 1067328477 /nfs/dbraw/zinc/32/84/77/1067328477.db2.gz ADKGLTKDECKFEI-XMMPIXPASA-N 1 0 459.660 3.309 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304286592 1067328875 /nfs/dbraw/zinc/32/88/75/1067328875.db2.gz ARXNQWUIGNHFIO-VWLOTQADSA-N 1 0 489.686 3.219 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001304287777 1067330344 /nfs/dbraw/zinc/33/03/44/1067330344.db2.gz KBDHIRYYJSFPEW-YADHBBJMSA-N 1 0 489.686 3.218 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCN(c4ccc(F)cn4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304287937 1067331478 /nfs/dbraw/zinc/33/14/78/1067331478.db2.gz BTHNEGCSENTEIE-FQEVSTJZSA-N 1 0 467.593 3.285 20 0 JGADRO Cc1nsc(N2CCCN(c3nnc(COc4cc(C)ccc4C)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001304288401 1067332103 /nfs/dbraw/zinc/33/21/03/1067332103.db2.gz HEPGXWPTZOVVKY-LJQANCHMSA-N 1 0 484.674 3.301 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCCCC[NH+]2CCCC2)c1 ZINC001304288506 1067332285 /nfs/dbraw/zinc/33/22/85/1067332285.db2.gz ZHURKNLQGGYOSJ-JOCHJYFZSA-N 1 0 468.646 3.407 20 0 JGADRO CC(C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001302713850 1067333772 /nfs/dbraw/zinc/33/37/72/1067333772.db2.gz PVPAEFCUMQWEEH-UXHICEINSA-N 1 0 464.655 3.396 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304289387 1067334433 /nfs/dbraw/zinc/33/44/33/1067334433.db2.gz XPESJZRJVUPULC-CTNGQTDRSA-N 1 0 457.575 3.318 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001304289504 1067335585 /nfs/dbraw/zinc/33/55/85/1067335585.db2.gz ZEGZQYWPMNVBML-FKBYEOEOSA-N 1 0 498.672 3.063 20 0 JGADRO CSCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302722137 1067337794 /nfs/dbraw/zinc/33/77/94/1067337794.db2.gz GRVASZOZEWKCMU-RCCFBDPRSA-N 1 0 492.690 3.471 20 0 JGADRO Cc1ccc([C@]2(O)CCN(c3nnc(C(=O)NC(C)C)n3CCCCC[NH+]3CCCCC3)C2)cc1 ZINC001304292036 1067340408 /nfs/dbraw/zinc/34/04/08/1067340408.db2.gz KQIWWQMUVPDDMK-MHZLTWQESA-N 1 0 482.673 3.479 20 0 JGADRO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001302725045 1067341199 /nfs/dbraw/zinc/34/11/99/1067341199.db2.gz MMMBDBLWEKZENH-RTBURBONSA-N 1 0 458.655 3.450 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCN(C4=NCC(C)(C)S4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304292655 1067341381 /nfs/dbraw/zinc/34/13/81/1067341381.db2.gz VPYRBYPNTRHQGE-HXUWFJFHSA-N 1 0 485.702 3.427 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCN2CCOCC2(C)C)c1 ZINC001304292837 1067341833 /nfs/dbraw/zinc/34/18/33/1067341833.db2.gz XGYLDEVPCGHCCA-UHFFFAOYSA-N 1 0 484.689 3.363 20 0 JGADRO CC(C)c1noc([C@H](C)N2CCN(c3nnc(Cc4ccc(F)cc4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001302726932 1067342569 /nfs/dbraw/zinc/34/25/69/1067342569.db2.gz XBWUTMBUUBSJNG-MOPGFXCFSA-N 1 0 484.624 3.348 20 0 JGADRO Cc1ccc(C2(C)CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[NH+]3CCCC3)CC2)cc1 ZINC001304293669 1067343037 /nfs/dbraw/zinc/34/30/37/1067343037.db2.gz KNXFXKPVIZWYAR-OAQYLSRUSA-N 1 0 488.702 3.241 20 0 JGADRO Cc1ccc(C2(C)CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[NH+]3CCCC3)CC2)cc1 ZINC001304293668 1067343089 /nfs/dbraw/zinc/34/30/89/1067343089.db2.gz KNXFXKPVIZWYAR-NRFANRHFSA-N 1 0 488.702 3.241 20 0 JGADRO Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001304295111 1067344093 /nfs/dbraw/zinc/34/40/93/1067344093.db2.gz XWKROLNCWSCSRJ-KZNAEPCWSA-N 1 0 451.637 3.084 20 0 JGADRO CSCC[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001302728403 1067344695 /nfs/dbraw/zinc/34/46/95/1067344695.db2.gz ZSLNOPZKPVOXSE-KOSHJBKYSA-N 1 0 496.722 3.037 20 0 JGADRO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2CC[NH+]2CCC(C)CC2)o1 ZINC001304296130 1067345877 /nfs/dbraw/zinc/34/58/77/1067345877.db2.gz HJMDIIZRIJPHAO-LJQANCHMSA-N 1 0 486.642 3.423 20 0 JGADRO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001302732514 1067346437 /nfs/dbraw/zinc/34/64/37/1067346437.db2.gz VXZFMWIZFUBCJJ-PWRODBHTSA-N 1 0 451.681 3.317 20 0 JGADRO Cc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1Br ZINC001304301221 1067349737 /nfs/dbraw/zinc/34/97/37/1067349737.db2.gz RJAAMESTIQOCIF-JOCHJYFZSA-N 1 0 471.403 3.114 20 0 JGADRO Cc1ccc(-c2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@@H](C)[NH+]2CCC(C)CC2)o1 ZINC001304301386 1067350249 /nfs/dbraw/zinc/35/02/49/1067350249.db2.gz XBGDBNVFFWGWCK-MRXNPFEDSA-N 1 0 462.549 3.460 20 0 JGADRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC001302740345 1067351405 /nfs/dbraw/zinc/35/14/05/1067351405.db2.gz GAFYXMXEOKWZKM-AQYVVDRMSA-N 1 0 455.986 3.490 20 0 JGADRO Cc1ccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCOCC2)o1 ZINC001304307625 1067355517 /nfs/dbraw/zinc/35/55/17/1067355517.db2.gz MPIQCIPTGUGXKV-HBFSDRIKSA-N 1 0 488.633 3.164 20 0 JGADRO CSCCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302747627 1067355859 /nfs/dbraw/zinc/35/58/59/1067355859.db2.gz CZRBXWBBRVWIOA-RTWAWAEBSA-N 1 0 451.681 3.254 20 0 JGADRO Cc1ccc(-c2nnc(N3C[C@H](C)[C@H](N4CCOCC4)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001304308663 1067356122 /nfs/dbraw/zinc/35/61/22/1067356122.db2.gz QNDQFLMAYSCHCS-BBTUJRGHSA-N 1 0 491.478 3.123 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001304309151 1067356726 /nfs/dbraw/zinc/35/67/26/1067356726.db2.gz DLLNTNOBZLBCBO-WAIKUNEKSA-N 1 0 489.462 3.450 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC001304309150 1067356746 /nfs/dbraw/zinc/35/67/46/1067356746.db2.gz DLLNTNOBZLBCBO-QMHKHESXSA-N 1 0 489.462 3.450 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001304310401 1067357888 /nfs/dbraw/zinc/35/78/88/1067357888.db2.gz KISDHMVSRFEXLL-IBGZPJMESA-N 1 0 463.648 3.372 20 0 JGADRO CSCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302753785 1067358975 /nfs/dbraw/zinc/35/89/75/1067358975.db2.gz MMUYDEUYKQQYOT-INIZCTEOSA-N 1 0 483.480 3.337 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001304311666 1067359064 /nfs/dbraw/zinc/35/90/64/1067359064.db2.gz PVBKWAPUILXDBC-GOSISDBHSA-N 1 0 488.633 3.308 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001304313873 1067361094 /nfs/dbraw/zinc/36/10/94/1067361094.db2.gz BGUZGZDIWHVATD-PMACEKPBSA-N 1 0 472.634 3.087 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001304313874 1067361138 /nfs/dbraw/zinc/36/11/38/1067361138.db2.gz BGUZGZDIWHVATD-WOJBJXKFSA-N 1 0 472.634 3.087 20 0 JGADRO CSCCCCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302757387 1067361129 /nfs/dbraw/zinc/36/11/29/1067361129.db2.gz UIEJORIBRKSXPN-SIKLNZKXSA-N 1 0 462.708 3.143 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(NC(=O)NC4CCCCC4)CC3)n2C[C@@H](C)[NH+](C)C)o1 ZINC001304314688 1067362057 /nfs/dbraw/zinc/36/20/57/1067362057.db2.gz JESHQNRJZOETOC-QGZVFWFLSA-N 1 0 457.623 3.397 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCSCC2)o1 ZINC001304314802 1067362523 /nfs/dbraw/zinc/36/25/23/1067362523.db2.gz VWQAKDWWIKETJP-SFHVURJKSA-N 1 0 476.647 3.341 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001304314771 1067362585 /nfs/dbraw/zinc/36/25/85/1067362585.db2.gz UUZRDLDGPSOIAL-OALUTQOASA-N 1 0 492.690 3.075 20 0 JGADRO CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001302760415 1067362909 /nfs/dbraw/zinc/36/29/09/1067362909.db2.gz GSAJLVPLMOXGOC-TZIWHRDSSA-N 1 0 451.681 3.173 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001304318188 1067364900 /nfs/dbraw/zinc/36/49/00/1067364900.db2.gz VFKUTTLVHVDLHC-KRWDZBQOSA-N 1 0 463.648 3.370 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001304318189 1067365143 /nfs/dbraw/zinc/36/51/43/1067365143.db2.gz VFKUTTLVHVDLHC-QGZVFWFLSA-N 1 0 463.648 3.370 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001304317966 1067365378 /nfs/dbraw/zinc/36/53/78/1067365378.db2.gz UIQIGBASLBJACW-GHTZIAJQSA-N 1 0 471.627 3.380 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCCC[NH+]2CCOCC2)o1 ZINC001304319258 1067366795 /nfs/dbraw/zinc/36/67/95/1067366795.db2.gz DZNGAQQVGSVGSI-NRFANRHFSA-N 1 0 486.661 3.338 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)o1 ZINC001304322074 1067369725 /nfs/dbraw/zinc/36/97/25/1067369725.db2.gz LTQOPDNTFOORKL-ICSRJNTNSA-N 1 0 488.633 3.139 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC001304323100 1067371187 /nfs/dbraw/zinc/37/11/87/1067371187.db2.gz GHJLKGSPYDFZMK-FUHWJXTLSA-N 1 0 489.462 3.415 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001302773656 1067371511 /nfs/dbraw/zinc/37/15/11/1067371511.db2.gz HSPSVYUXKBWVMD-REWPJTCUSA-N 1 0 451.619 3.450 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CC(=O)NCC(F)(F)F)o1 ZINC001304324156 1067372014 /nfs/dbraw/zinc/37/20/14/1067372014.db2.gz LOLZIIPWUIQXEJ-MRXNPFEDSA-N 1 0 476.503 3.236 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@@H]3C)n2CCNC(=O)C(C)C)o1 ZINC001304324210 1067372440 /nfs/dbraw/zinc/37/24/40/1067372440.db2.gz MUDDKHGYNZJQDF-IBGZPJMESA-N 1 0 450.587 3.329 20 0 JGADRO CSCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCOC(C)(C)C1 ZINC001302774921 1067372676 /nfs/dbraw/zinc/37/26/76/1067372676.db2.gz QCEKJVRLHMYTBZ-UHFFFAOYSA-N 1 0 472.703 3.401 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2Cc2ccccc2OCC[NH+](C)C)o1 ZINC001304324245 1067372568 /nfs/dbraw/zinc/37/25/68/1067372568.db2.gz FZBGAWCPISDMGH-UHFFFAOYSA-N 1 0 480.613 3.140 20 0 JGADRO CSCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302776524 1067373661 /nfs/dbraw/zinc/37/36/61/1067373661.db2.gz IERFIXQVFMBPTM-UHFFFAOYSA-N 1 0 485.496 3.460 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)[NH+](C)C)CCS1 ZINC001302781953 1067375862 /nfs/dbraw/zinc/37/58/62/1067375862.db2.gz DTALVGXSFWBPOO-IEBWSBKVSA-N 1 0 462.689 3.343 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(C)(C)O)CCS1 ZINC001302785077 1067377814 /nfs/dbraw/zinc/37/78/14/1067377814.db2.gz ZFAYDBGGQSKVBC-QHCPKHFHSA-N 1 0 486.730 3.382 20 0 JGADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)o1 ZINC001304330960 1067378239 /nfs/dbraw/zinc/37/82/39/1067378239.db2.gz JEHMUYSSOHEONH-PMACEKPBSA-N 1 0 478.663 3.253 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001302787488 1067379262 /nfs/dbraw/zinc/37/92/62/1067379262.db2.gz HSLOPEVKOLZTDQ-XMMPIXPASA-N 1 0 488.652 3.131 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001302788054 1067379560 /nfs/dbraw/zinc/37/95/60/1067379560.db2.gz KINRRPCNLPWJMM-ROUUACIJSA-N 1 0 488.683 3.495 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001302788050 1067379728 /nfs/dbraw/zinc/37/97/28/1067379728.db2.gz KINRRPCNLPWJMM-MSOLQXFVSA-N 1 0 488.683 3.495 20 0 JGADRO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302800038 1067389283 /nfs/dbraw/zinc/38/92/83/1067389283.db2.gz XVCOMAILVVKOIT-KRWDZBQOSA-N 1 0 497.507 3.348 20 0 JGADRO CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001302800408 1067389435 /nfs/dbraw/zinc/38/94/35/1067389435.db2.gz VSLPPOLVANYPSZ-SJBKTWHCSA-N 1 0 460.667 3.239 20 0 JGADRO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)s1 ZINC001304349320 1067390760 /nfs/dbraw/zinc/39/07/60/1067390760.db2.gz FXSSKKMYHCOAFR-ICSRJNTNSA-N 1 0 488.683 3.017 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCc2ccccc2)C1)[NH+](C)C ZINC001302802931 1067391505 /nfs/dbraw/zinc/39/15/05/1067391505.db2.gz GZNUKVLSEWULKE-PKTZIBPZSA-N 1 0 468.646 3.286 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC001302802975 1067391629 /nfs/dbraw/zinc/39/16/29/1067391629.db2.gz IANQZPRAPJWMAL-MOPGFXCFSA-N 1 0 472.638 3.037 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCCO2)[NH+](C)C ZINC001302803988 1067392199 /nfs/dbraw/zinc/39/21/99/1067392199.db2.gz LITIXBHVAXSWLO-FQEVSTJZSA-N 1 0 493.612 3.309 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2)CC1)[NH+](C)C ZINC001302804106 1067392340 /nfs/dbraw/zinc/39/23/40/1067392340.db2.gz NEISNTDBALINII-JOCHJYFZSA-N 1 0 455.651 3.109 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C ZINC001302804367 1067392478 /nfs/dbraw/zinc/39/24/78/1067392478.db2.gz POIHXBTZWBJCEM-WIYYLYMNSA-N 1 0 460.598 3.110 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001302807199 1067394622 /nfs/dbraw/zinc/39/46/22/1067394622.db2.gz CXEAOEMQMSSSEL-NLWGTHIKSA-N 1 0 460.598 3.200 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001302807448 1067394897 /nfs/dbraw/zinc/39/48/97/1067394897.db2.gz GBESZOKQDQARGQ-NVXWUHKLSA-N 1 0 495.441 3.490 20 0 JGADRO CC(C)[C@@H]1OCCC[C@H]1Cn1c(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807554 1067394923 /nfs/dbraw/zinc/39/49/23/1067394923.db2.gz RIBXRQSODQYCRT-VXNXHJTFSA-N 1 0 490.737 3.258 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCCCC2)C1)[NH+](C)C ZINC001302807644 1067395260 /nfs/dbraw/zinc/39/52/60/1067395260.db2.gz HNQLDWNPOOIYGW-MOPGFXCFSA-N 1 0 486.752 3.121 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001302807640 1067395306 /nfs/dbraw/zinc/39/53/06/1067395306.db2.gz HJYCBAYEVIDQFL-AABGKKOBSA-N 1 0 463.026 3.354 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCCCC2)C1)[NH+](C)C ZINC001302807646 1067395376 /nfs/dbraw/zinc/39/53/76/1067395376.db2.gz HNQLDWNPOOIYGW-RBUKOAKNSA-N 1 0 486.752 3.121 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cscn1)[NH+](C)C ZINC001302808432 1067396627 /nfs/dbraw/zinc/39/66/27/1067396627.db2.gz PQAUQARXQLHWQP-IBGZPJMESA-N 1 0 476.672 3.418 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cnccn1)[NH+](C)C ZINC001302808897 1067397197 /nfs/dbraw/zinc/39/71/97/1067397197.db2.gz RXAUHVAANMVMLR-SFHVURJKSA-N 1 0 475.439 3.481 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001302809329 1067398007 /nfs/dbraw/zinc/39/80/07/1067398007.db2.gz VEBUDOGAJGMKOY-KOSHJBKYSA-N 1 0 476.572 3.239 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[NH+](C)C ZINC001302810805 1067398714 /nfs/dbraw/zinc/39/87/14/1067398714.db2.gz CBUXJGAUGHRLDA-LJQANCHMSA-N 1 0 458.632 3.289 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1)[NH+](C)C ZINC001302811383 1067398947 /nfs/dbraw/zinc/39/89/47/1067398947.db2.gz GWZZGWRVKAAQHV-PKOBYXMFSA-N 1 0 456.595 3.334 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1)[NH+](C)C ZINC001302811644 1067399443 /nfs/dbraw/zinc/39/94/43/1067399443.db2.gz JQAYDTSKQADSRJ-IBGZPJMESA-N 1 0 457.598 3.055 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1)[NH+](C)C ZINC001302815917 1067402911 /nfs/dbraw/zinc/40/29/11/1067402911.db2.gz CSGALXJUZLBDEG-OAQYLSRUSA-N 1 0 494.688 3.049 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302816700 1067403753 /nfs/dbraw/zinc/40/37/53/1067403753.db2.gz AZEOBYWPXPDTCX-RTWAWAEBSA-N 1 0 471.650 3.344 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H]1CCCCO1)[NH+](C)C ZINC001302817308 1067404098 /nfs/dbraw/zinc/40/40/98/1067404098.db2.gz JOFYYLHVRDMBPX-VQTJNVASSA-N 1 0 481.645 3.174 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H]1CCCCO1)[NH+](C)C ZINC001302817309 1067404162 /nfs/dbraw/zinc/40/41/62/1067404162.db2.gz JOFYYLHVRDMBPX-WOJBJXKFSA-N 1 0 481.645 3.174 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001302817491 1067405143 /nfs/dbraw/zinc/40/51/43/1067405143.db2.gz DZADUZBEMAVMCP-JTHBVZDNSA-N 1 0 458.626 3.220 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001302818114 1067405739 /nfs/dbraw/zinc/40/57/39/1067405739.db2.gz HFBSUJLFSVFHME-HUVFLSCGSA-N 1 0 472.653 3.141 20 0 JGADRO Cc1ccc(CSCCn2c(CC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001304366324 1067405810 /nfs/dbraw/zinc/40/58/10/1067405810.db2.gz WXNODMCOKIGFSI-QHCPKHFHSA-N 1 0 484.714 3.461 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001302818159 1067406054 /nfs/dbraw/zinc/40/60/54/1067406054.db2.gz HLVCHKRSAODVAM-RXVVDRJESA-N 1 0 472.634 3.118 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001302818199 1067406083 /nfs/dbraw/zinc/40/60/83/1067406083.db2.gz HTRWOXRVMFPTJX-XMMPIXPASA-N 1 0 481.689 3.469 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001302818682 1067406590 /nfs/dbraw/zinc/40/65/90/1067406590.db2.gz JQGQRRITRZFTAC-FUPPJEDESA-N 1 0 491.677 3.365 20 0 JGADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001302819378 1067407119 /nfs/dbraw/zinc/40/71/19/1067407119.db2.gz AARLMNBITLFOLT-FQEVSTJZSA-N 1 0 477.057 3.068 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1)[NH+](C)C ZINC001302820289 1067407334 /nfs/dbraw/zinc/40/73/34/1067407334.db2.gz OKRMCFYLJOZXLF-PKTZIBPZSA-N 1 0 469.609 3.086 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001304368322 1067408359 /nfs/dbraw/zinc/40/83/59/1067408359.db2.gz DHVPPVVHBOTZJJ-UHFFFAOYSA-N 1 0 465.621 3.374 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1)[NH+](C)C ZINC001302820583 1067408376 /nfs/dbraw/zinc/40/83/76/1067408376.db2.gz QOUHZUUNHITMBS-XJUOHMSHSA-N 1 0 457.619 3.043 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nncn1C)[NH+](C)C ZINC001302820883 1067408734 /nfs/dbraw/zinc/40/87/34/1067408734.db2.gz RWLNJRXKVCVXFU-RTWAWAEBSA-N 1 0 454.598 3.454 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC001302821040 1067409154 /nfs/dbraw/zinc/40/91/54/1067409154.db2.gz WCSDRRYUFIAATA-SIKLNZKXSA-N 1 0 482.629 3.228 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2F)CC1)[NH+](C)C ZINC001302821499 1067409285 /nfs/dbraw/zinc/40/92/85/1067409285.db2.gz IGUFHWIAFUCWBY-NRFANRHFSA-N 1 0 466.609 3.101 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1)[NH+](C)C ZINC001302821346 1067409698 /nfs/dbraw/zinc/40/96/98/1067409698.db2.gz WZAAANNIUYVVAE-HXUWFJFHSA-N 1 0 494.619 3.203 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+](C)C ZINC001302821472 1067410016 /nfs/dbraw/zinc/41/00/16/1067410016.db2.gz WPWVWABFSPABLD-YADHBBJMSA-N 1 0 462.683 3.232 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+](C(C)C)C(C)C)CC2)cc1C ZINC001304373121 1067410676 /nfs/dbraw/zinc/41/06/76/1067410676.db2.gz OEVOFYTUCDPRNK-UHFFFAOYSA-N 1 0 469.678 3.479 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001302822020 1067410903 /nfs/dbraw/zinc/41/09/03/1067410903.db2.gz ZVCJNHBASLNGGX-QHCPKHFHSA-N 1 0 470.637 3.433 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1)[NH+](C)C ZINC001302822027 1067410908 /nfs/dbraw/zinc/41/09/08/1067410908.db2.gz ZVJUUYUAQPWVGH-XZOQPEGZSA-N 1 0 470.662 3.231 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001302822874 1067411943 /nfs/dbraw/zinc/41/19/43/1067411943.db2.gz PFXHHMDOROJMLR-BKULYWANSA-N 1 0 488.652 3.129 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001302822914 1067411953 /nfs/dbraw/zinc/41/19/53/1067411953.db2.gz PWQUPYPSGAHSTP-FPOVZHCZSA-N 1 0 458.676 3.402 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(Cc4ccsc4)n3CCOCC[NH+](C)C)CC2)cc1C ZINC001304373779 1067412032 /nfs/dbraw/zinc/41/20/32/1067412032.db2.gz GESNIYSXSRLZKJ-UHFFFAOYSA-N 1 0 468.671 3.452 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1)[NH+](C)C ZINC001302823504 1067412469 /nfs/dbraw/zinc/41/24/69/1067412469.db2.gz SWHYCYJELJATLA-KNQAVFIVSA-N 1 0 490.599 3.233 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@@H](c2ccccc2)C1)[NH+](C)C ZINC001302824107 1067412787 /nfs/dbraw/zinc/41/27/87/1067412787.db2.gz XJOKHHYYYNNMMF-DHIUTWEWSA-N 1 0 468.646 3.345 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](C)C1)[NH+](C)C ZINC001302824605 1067413836 /nfs/dbraw/zinc/41/38/36/1067413836.db2.gz OYQMJBGETNQCBJ-HAGHYFMRSA-N 1 0 464.655 3.250 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](C2CC2)[NH+](C)C)cc1C ZINC001304375205 1067414738 /nfs/dbraw/zinc/41/47/38/1067414738.db2.gz HURWGCUKEQDMSH-FGZHOGPDSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001304376716 1067418481 /nfs/dbraw/zinc/41/84/81/1067418481.db2.gz AGEUURHULHSEHE-RRPUWOKSSA-N 1 0 495.672 3.325 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1C ZINC001304378541 1067422378 /nfs/dbraw/zinc/42/23/78/1067422378.db2.gz NWJHMQGFYXCGOY-QNWVGRARSA-N 1 0 468.646 3.476 20 0 JGADRO O=C(N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001302835081 1067422484 /nfs/dbraw/zinc/42/24/84/1067422484.db2.gz NPBWEDVMIUTQOL-HUUCEWRRSA-N 1 0 451.283 3.455 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304379419 1067424314 /nfs/dbraw/zinc/42/43/14/1067424314.db2.gz SOSCQFJVHULANL-MRXNPFEDSA-N 1 0 480.535 3.445 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(CN4CCCC4=O)n3C[C@H](CC(C)C)[NH+](C)C)CC2)cc1 ZINC001304379358 1067424438 /nfs/dbraw/zinc/42/44/38/1067424438.db2.gz RPLLKNUCRCJEGG-QHCPKHFHSA-N 1 0 467.662 3.012 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC001304379731 1067425818 /nfs/dbraw/zinc/42/58/18/1067425818.db2.gz SOYQZWAXFCLKEJ-PGRDOPGGSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001304380038 1067426892 /nfs/dbraw/zinc/42/68/92/1067426892.db2.gz VARYDENJCXVJJI-LJQANCHMSA-N 1 0 469.634 3.112 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(=O)NCc2ccco2)cc1C ZINC001304380337 1067427831 /nfs/dbraw/zinc/42/78/31/1067427831.db2.gz RQSKHAAFJPVNDF-UHFFFAOYSA-N 1 0 493.612 3.023 20 0 JGADRO C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1O ZINC001302841799 1067428479 /nfs/dbraw/zinc/42/84/79/1067428479.db2.gz JXLGJJUQENUCPP-WCIQWLHISA-N 1 0 488.633 3.453 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001304380876 1067428840 /nfs/dbraw/zinc/42/88/40/1067428840.db2.gz XVFGBVWCPFZTNF-UHFFFAOYSA-N 1 0 475.588 3.019 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCOc2ncccc2F)cc1C ZINC001304383159 1067431995 /nfs/dbraw/zinc/43/19/95/1067431995.db2.gz HJMVGWCJCQSIRO-UHFFFAOYSA-N 1 0 481.576 3.291 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302846803 1067432176 /nfs/dbraw/zinc/43/21/76/1067432176.db2.gz XXNWGOCSWGJHJE-KTBRYMIGSA-N 1 0 461.676 3.207 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001304383260 1067432409 /nfs/dbraw/zinc/43/24/09/1067432409.db2.gz JYOOYYALWCHGPF-DENIHFKCSA-N 1 0 495.672 3.326 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCCCC2)CCN1C(=O)OC(C)(C)C ZINC001302851196 1067435511 /nfs/dbraw/zinc/43/55/11/1067435511.db2.gz AWIIGQGZFDEPKZ-LJQANCHMSA-N 1 0 470.622 3.057 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1F ZINC001302850822 1067435522 /nfs/dbraw/zinc/43/55/22/1067435522.db2.gz RXWBPTVKKCPVMU-UIAACRFSSA-N 1 0 480.991 3.475 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001302852326 1067437023 /nfs/dbraw/zinc/43/70/23/1067437023.db2.gz IDFCAOWUARMQOJ-GOSISDBHSA-N 1 0 457.623 3.374 20 0 JGADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC001302852503 1067437176 /nfs/dbraw/zinc/43/71/76/1067437176.db2.gz OUQNCOVNRJABSR-XFSFLGPDSA-N 1 0 456.608 3.469 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1C ZINC001304385605 1067438131 /nfs/dbraw/zinc/43/81/31/1067438131.db2.gz ZCPNLQKNXNCMOX-DENIHFKCSA-N 1 0 454.619 3.491 20 0 JGADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302853893 1067438142 /nfs/dbraw/zinc/43/81/42/1067438142.db2.gz ZDSIEBVLMPRQKA-GIWBLDEGSA-N 1 0 450.501 3.311 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1C ZINC001304385606 1067438160 /nfs/dbraw/zinc/43/81/60/1067438160.db2.gz ZCPNLQKNXNCMOX-KNQAVFIVSA-N 1 0 454.619 3.491 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001304386428 1067440962 /nfs/dbraw/zinc/44/09/62/1067440962.db2.gz JUYHWNUVFRWFBR-NWSQWKLXSA-N 1 0 468.646 3.475 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001302860324 1067442728 /nfs/dbraw/zinc/44/27/28/1067442728.db2.gz UABROKPYXTXXMI-YZGWKJHDSA-N 1 0 499.603 3.337 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001304387417 1067443151 /nfs/dbraw/zinc/44/31/51/1067443151.db2.gz AJDRGIHEBQDZGR-FGZHOGPDSA-N 1 0 481.645 3.123 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001304387416 1067443233 /nfs/dbraw/zinc/44/32/33/1067443233.db2.gz AJDRGIHEBQDZGR-FCHUYYIVSA-N 1 0 481.645 3.123 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001304387921 1067444496 /nfs/dbraw/zinc/44/44/96/1067444496.db2.gz ITGSMZGGNXSOQB-NRFANRHFSA-N 1 0 462.602 3.239 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCSCC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001304387848 1067444514 /nfs/dbraw/zinc/44/45/14/1067444514.db2.gz ZZXDCXFQMDLRRM-OAQYLSRUSA-N 1 0 472.659 3.057 20 0 JGADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C[C@@H]1F ZINC001302862843 1067445571 /nfs/dbraw/zinc/44/55/71/1067445571.db2.gz QNUKWUHGCYLVRJ-XLIONFOSSA-N 1 0 451.974 3.417 20 0 JGADRO CC(C)Cc1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302865593 1067446692 /nfs/dbraw/zinc/44/66/92/1067446692.db2.gz BQBFXOCWGJINOJ-RLWLMLJZSA-N 1 0 471.646 3.240 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001304388656 1067446974 /nfs/dbraw/zinc/44/69/74/1067446974.db2.gz FCKYCHSXIMVWTB-LEWJYISDSA-N 1 0 454.619 3.286 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001304388659 1067447083 /nfs/dbraw/zinc/44/70/83/1067447083.db2.gz FCKYCHSXIMVWTB-SFTDATJTSA-N 1 0 454.619 3.286 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001304389332 1067448436 /nfs/dbraw/zinc/44/84/36/1067448436.db2.gz YTCUJMZWAVUOHQ-UHFFFAOYSA-N 1 0 462.602 3.240 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001304389420 1067448467 /nfs/dbraw/zinc/44/84/67/1067448467.db2.gz MPLNCKCQTLFAFJ-JOCHJYFZSA-N 1 0 495.672 3.152 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCOCC(F)F ZINC001302867359 1067448490 /nfs/dbraw/zinc/44/84/90/1067448490.db2.gz UATMIRVPOSWVGU-QGZVFWFLSA-N 1 0 483.991 3.494 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CCCc2ccccc2)n1CCNC(=O)C(C)(C)C ZINC001302867460 1067448518 /nfs/dbraw/zinc/44/85/18/1067448518.db2.gz WFHBDRHGDQKELS-JOCHJYFZSA-N 1 0 496.700 3.305 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001302871270 1067452212 /nfs/dbraw/zinc/45/22/12/1067452212.db2.gz ACYNMTWIGYEWEK-KRWDZBQOSA-N 1 0 459.557 3.325 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC[NH+]1CCSCC1 ZINC001302871374 1067452712 /nfs/dbraw/zinc/45/27/12/1067452712.db2.gz BMXWHNYOEVJTFG-HXUWFJFHSA-N 1 0 462.708 3.000 20 0 JGADRO Cc1ccc(O[C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001304393328 1067453875 /nfs/dbraw/zinc/45/38/75/1067453875.db2.gz QFBIJTNSSJJSSB-OAQYLSRUSA-N 1 0 465.602 3.058 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302872729 1067455573 /nfs/dbraw/zinc/45/55/73/1067455573.db2.gz PVBVKTRZTFNGGY-ISKFKSNPSA-N 1 0 482.673 3.323 20 0 JGADRO Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001304394828 1067456019 /nfs/dbraw/zinc/45/60/19/1067456019.db2.gz LYXFCYSHUABMQW-SFHVURJKSA-N 1 0 476.572 3.498 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC[NH+]1CCCC1 ZINC001302876408 1067459724 /nfs/dbraw/zinc/45/97/24/1067459724.db2.gz PAQAALNDUKCWJF-UHFFFAOYSA-N 1 0 460.026 3.476 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC001302879260 1067460994 /nfs/dbraw/zinc/46/09/94/1067460994.db2.gz NADQUUBJBRBJBU-KDURUIRLSA-N 1 0 461.054 3.486 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001302880183 1067461495 /nfs/dbraw/zinc/46/14/95/1067461495.db2.gz PSJQPVNXUYAVCT-ISKFKSNPSA-N 1 0 462.038 3.147 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001304399243 1067461836 /nfs/dbraw/zinc/46/18/36/1067461836.db2.gz XIOYXIBOETWGNJ-NJDAHSKKSA-N 1 0 486.661 3.062 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302880634 1067461938 /nfs/dbraw/zinc/46/19/38/1067461938.db2.gz VTSCKDDDSKOGHY-QTISVLPJSA-N 1 0 452.647 3.479 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001304399598 1067462762 /nfs/dbraw/zinc/46/27/62/1067462762.db2.gz GFXVVFFBZFIFPQ-HSZRJFAPSA-N 1 0 468.602 3.455 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001304402761 1067464673 /nfs/dbraw/zinc/46/46/73/1067464673.db2.gz VEPXIFKZCXDJEO-PKTZIBPZSA-N 1 0 471.646 3.448 20 0 JGADRO CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302883871 1067465807 /nfs/dbraw/zinc/46/58/07/1067465807.db2.gz FOWGTWADWQMRLF-HSZRJFAPSA-N 1 0 455.647 3.200 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001302886054 1067466646 /nfs/dbraw/zinc/46/66/46/1067466646.db2.gz GCJGTKSSHBOBSS-UHFFFAOYSA-N 1 0 458.676 3.291 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302886084 1067466711 /nfs/dbraw/zinc/46/67/11/1067466711.db2.gz GTSJOIOBKPPFJD-VWLOTQADSA-N 1 0 496.700 3.462 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302888502 1067468327 /nfs/dbraw/zinc/46/83/27/1067468327.db2.gz BHNJEKLIYUWKDA-DNQXCXABSA-N 1 0 466.674 3.488 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001302889597 1067469141 /nfs/dbraw/zinc/46/91/41/1067469141.db2.gz UEIXGLYSZMDFHV-IBGZPJMESA-N 1 0 484.649 3.303 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001304405777 1067469268 /nfs/dbraw/zinc/46/92/68/1067469268.db2.gz MUZLLIWNUHNFOK-YADHBBJMSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304405990 1067469494 /nfs/dbraw/zinc/46/94/94/1067469494.db2.gz FEPGMGJASNMTRZ-QUCCMNQESA-N 1 0 497.562 3.432 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001302890637 1067470167 /nfs/dbraw/zinc/47/01/67/1067470167.db2.gz VPCZWUNOVXMAOW-SANMLTNESA-N 1 0 452.647 3.303 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCCC3)n2CC[NH+]2CCSCC2)CCN1C(=O)OC(C)(C)C ZINC001302890606 1067470199 /nfs/dbraw/zinc/47/01/99/1067470199.db2.gz FNQYMZOBCBFKDN-SFHVURJKSA-N 1 0 464.680 3.430 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001304407215 1067472087 /nfs/dbraw/zinc/47/20/87/1067472087.db2.gz YUCHPYIWRUAHSM-TZIWHRDSSA-N 1 0 466.586 3.037 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001304407212 1067472116 /nfs/dbraw/zinc/47/21/16/1067472116.db2.gz YUCHPYIWRUAHSM-CTNGQTDRSA-N 1 0 466.586 3.037 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001304409573 1067475364 /nfs/dbraw/zinc/47/53/64/1067475364.db2.gz QJCLNAVDFWGDBD-NRFANRHFSA-N 1 0 468.646 3.379 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CCS(C)(=O)=O)cc1 ZINC001304409868 1067475767 /nfs/dbraw/zinc/47/57/67/1067475767.db2.gz HPERPVLSRYWERY-UHFFFAOYSA-N 1 0 489.686 3.303 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCNC(=O)C(C)C)cc1 ZINC001304411152 1067478558 /nfs/dbraw/zinc/47/85/58/1067478558.db2.gz BCSWQYYRPYXPPI-OAQYLSRUSA-N 1 0 454.619 3.002 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1C ZINC001304411553 1067479512 /nfs/dbraw/zinc/47/95/12/1067479512.db2.gz TWXHTMLLSNRLAP-IBGZPJMESA-N 1 0 489.686 3.219 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304411609 1067479533 /nfs/dbraw/zinc/47/95/33/1067479533.db2.gz URQRTLQJBODNTN-DHIUTWEWSA-N 1 0 489.686 3.218 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302899300 1067481522 /nfs/dbraw/zinc/48/15/22/1067481522.db2.gz HDKOWSKQNFJNRX-RUZDIDTESA-N 1 0 495.716 3.026 20 0 JGADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302899825 1067481988 /nfs/dbraw/zinc/48/19/88/1067481988.db2.gz NWGDZGAQBNMWNA-RUZDIDTESA-N 1 0 470.687 3.313 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(-c4cccnc4)n3CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302901622 1067485542 /nfs/dbraw/zinc/48/55/42/1067485542.db2.gz NHMJLJCVDQBUSY-BGYRXZFFSA-N 1 0 456.635 3.481 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)N4CCCCC4)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304415713 1067486761 /nfs/dbraw/zinc/48/67/61/1067486761.db2.gz SCEFIDGZHMTDNY-UHFFFAOYSA-N 1 0 483.661 3.234 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001302902601 1067487457 /nfs/dbraw/zinc/48/74/57/1067487457.db2.gz LUHAAEOUXVYYDB-ZWKOTPCHSA-N 1 0 472.600 3.149 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2COCCO2)cc1C ZINC001304416480 1067488662 /nfs/dbraw/zinc/48/86/62/1067488662.db2.gz NEDJQQGYCJELFY-JOCHJYFZSA-N 1 0 457.619 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304417450 1067489585 /nfs/dbraw/zinc/48/95/85/1067489585.db2.gz XTTPKFAJFIQIFK-IBGZPJMESA-N 1 0 468.568 3.498 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCCOC(F)F)cc1 ZINC001304418385 1067492262 /nfs/dbraw/zinc/49/22/62/1067492262.db2.gz PUGSIKCJTYEWOL-UHFFFAOYSA-N 1 0 465.545 3.096 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCN2CCCCC2=O)cc1C ZINC001304418296 1067492269 /nfs/dbraw/zinc/49/22/69/1067492269.db2.gz NWWMLLGDROFLRJ-UHFFFAOYSA-N 1 0 468.646 3.407 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCC(=O)NC2CC2)cc1C ZINC001304418551 1067492682 /nfs/dbraw/zinc/49/26/82/1067492682.db2.gz RJAJMGXEUYHFBQ-UHFFFAOYSA-N 1 0 454.619 3.063 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC001302908374 1067493066 /nfs/dbraw/zinc/49/30/66/1067493066.db2.gz KLSRHPJHCJNYJN-SZPZYZBQSA-N 1 0 472.653 3.429 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001304419643 1067494079 /nfs/dbraw/zinc/49/40/79/1067494079.db2.gz OQZYQZVQWZXBLW-QFIPXVFZSA-N 1 0 480.613 3.366 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001304419552 1067494516 /nfs/dbraw/zinc/49/45/16/1067494516.db2.gz YLTOAVVWHRBSBB-YADHBBJMSA-N 1 0 468.646 3.345 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC001302909371 1067494512 /nfs/dbraw/zinc/49/45/12/1067494512.db2.gz QDBBYGNGDGFYMR-BGYRXZFFSA-N 1 0 476.616 3.178 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001302911486 1067497074 /nfs/dbraw/zinc/49/70/74/1067497074.db2.gz WOCLZZDWKKEFFT-KFKAGJAMSA-N 1 0 461.010 3.189 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(CCCc2ccccc2)n1CCC[NH+]1CCC(O)CC1 ZINC001302914172 1067498503 /nfs/dbraw/zinc/49/85/03/1067498503.db2.gz LWJFBGXWNLSGDY-NRFANRHFSA-N 1 0 455.647 3.304 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304422869 1067499035 /nfs/dbraw/zinc/49/90/35/1067499035.db2.gz PRVCGXQYVMTHPG-HXUWFJFHSA-N 1 0 459.660 3.262 20 0 JGADRO Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC001304422829 1067499142 /nfs/dbraw/zinc/49/91/42/1067499142.db2.gz MHSAYHFXXQDDCN-NRFANRHFSA-N 1 0 454.619 3.258 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001304422956 1067499447 /nfs/dbraw/zinc/49/94/47/1067499447.db2.gz SQZVSWMRPDYAGJ-RTWAWAEBSA-N 1 0 459.660 3.344 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001302915581 1067499506 /nfs/dbraw/zinc/49/95/06/1067499506.db2.gz VOYNLSKJBUCINR-NYHFZMIOSA-N 1 0 484.428 3.234 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001304424288 1067501217 /nfs/dbraw/zinc/50/12/17/1067501217.db2.gz RUMFLERQWMMDPU-UHFFFAOYSA-N 1 0 461.570 3.011 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001302920162 1067501404 /nfs/dbraw/zinc/50/14/04/1067501404.db2.gz RDOLDKYFSSDTTB-OFNKIYASSA-N 1 0 452.647 3.463 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCS(=O)(=O)CC1CC1 ZINC001302920808 1067502094 /nfs/dbraw/zinc/50/20/94/1067502094.db2.gz XVTLIFFSCJLHBU-JOCHJYFZSA-N 1 0 465.708 3.394 20 0 JGADRO FC(F)(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001302922828 1067503122 /nfs/dbraw/zinc/50/31/22/1067503122.db2.gz PKHBXJNDKNVUIF-AWEZNQCLSA-N 1 0 491.768 3.282 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001304426208 1067504057 /nfs/dbraw/zinc/50/40/57/1067504057.db2.gz YRCPMTKAAPUZGV-NRFANRHFSA-N 1 0 454.619 3.065 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001302932038 1067507476 /nfs/dbraw/zinc/50/74/76/1067507476.db2.gz SHSBWKBNFKSLBX-UHFFFAOYSA-N 1 0 467.662 3.483 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(CN3CCCC3=O)n2CC[NH+]2CCCCCC2)cc1 ZINC001304430632 1067508284 /nfs/dbraw/zinc/50/82/84/1067508284.db2.gz ZSIROIXNCHFHNO-UHFFFAOYSA-N 1 0 454.619 3.100 20 0 JGADRO CC(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001302933601 1067508678 /nfs/dbraw/zinc/50/86/78/1067508678.db2.gz MVHBEMBQJSRXOM-UHFFFAOYSA-N 1 0 456.635 3.313 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304432717 1067511520 /nfs/dbraw/zinc/51/15/20/1067511520.db2.gz DUSDPBPCWFDCJG-IAGOWNOFSA-N 1 0 482.576 3.230 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001304432895 1067511847 /nfs/dbraw/zinc/51/18/47/1067511847.db2.gz IZTGZIVGTQRCNH-HSZRJFAPSA-N 1 0 456.660 3.455 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001302939347 1067513104 /nfs/dbraw/zinc/51/31/04/1067513104.db2.gz WVKIFHLGZMDORL-QFIPXVFZSA-N 1 0 488.702 3.110 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001302939748 1067513859 /nfs/dbraw/zinc/51/38/59/1067513859.db2.gz VTNPDOIKWNXQON-HXUWFJFHSA-N 1 0 496.578 3.410 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccs2)CC1 ZINC001302940903 1067514969 /nfs/dbraw/zinc/51/49/69/1067514969.db2.gz DXIMOZPUYBKQEH-QGZVFWFLSA-N 1 0 459.538 3.330 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCCC2)CC1 ZINC001302940867 1067515053 /nfs/dbraw/zinc/51/50/53/1067515053.db2.gz CYKXDQTUMHFNLT-IBGZPJMESA-N 1 0 459.557 3.453 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(C3CCCC3)n2CC[C@@H]2CCOC2)CC1 ZINC001302941578 1067515470 /nfs/dbraw/zinc/51/54/70/1067515470.db2.gz NLOULOGEOFUZTD-GOSISDBHSA-N 1 0 459.557 3.453 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CC(=O)NCC(F)F)cc1 ZINC001304436998 1067515997 /nfs/dbraw/zinc/51/59/97/1067515997.db2.gz FJEMKSXAUIMUTI-GOSISDBHSA-N 1 0 478.613 3.325 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC2)CC1 ZINC001302941996 1067515897 /nfs/dbraw/zinc/51/58/97/1067515897.db2.gz VOSUEKLFAJJTMI-UHFFFAOYSA-N 1 0 458.916 3.495 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001304437449 1067516668 /nfs/dbraw/zinc/51/66/68/1067516668.db2.gz PZQYHLMJZZYVCU-FQEVSTJZSA-N 1 0 456.660 3.183 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1sccc1Br ZINC001302944786 1067517575 /nfs/dbraw/zinc/51/75/75/1067517575.db2.gz WTQKXLMMMNHECW-QGZVFWFLSA-N 1 0 495.491 3.092 20 0 JGADRO FC(F)C(F)(F)CN1CCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001302944889 1067517638 /nfs/dbraw/zinc/51/76/38/1067517638.db2.gz KYUJZIQWSKWDNC-UHFFFAOYSA-N 1 0 480.554 3.348 20 0 JGADRO FC(F)C(F)(F)COCCn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302945626 1067518835 /nfs/dbraw/zinc/51/88/35/1067518835.db2.gz SASHIBVNESTFRC-INIZCTEOSA-N 1 0 463.520 3.011 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304438896 1067518939 /nfs/dbraw/zinc/51/89/39/1067518939.db2.gz QRVBJXDKPSQRNV-CTNGQTDRSA-N 1 0 459.660 3.197 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001302946212 1067519466 /nfs/dbraw/zinc/51/94/66/1067519466.db2.gz MXDOICSJFNCSGK-UHFFFAOYSA-N 1 0 476.666 3.179 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001304439664 1067520073 /nfs/dbraw/zinc/52/00/73/1067520073.db2.gz VSFVNRWNFWGSAU-MOPGFXCFSA-N 1 0 456.660 3.324 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001302947788 1067521310 /nfs/dbraw/zinc/52/13/10/1067521310.db2.gz VQJITNJOSOWZPZ-SFTDATJTSA-N 1 0 478.682 3.279 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001302947806 1067521342 /nfs/dbraw/zinc/52/13/42/1067521342.db2.gz VZNMDEQUMNVQQE-NHCUHLMSSA-N 1 0 478.682 3.423 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001302947977 1067521652 /nfs/dbraw/zinc/52/16/52/1067521652.db2.gz OVOJDDNBUFFKHP-IBGZPJMESA-N 1 0 460.671 3.454 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001304442624 1067524063 /nfs/dbraw/zinc/52/40/63/1067524063.db2.gz JOEZSAOWKVAGFY-RTBURBONSA-N 1 0 460.648 3.013 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)C)n3C[C@]3([NH+](C)C)CCSC3)CC2)c1 ZINC001304442830 1067524753 /nfs/dbraw/zinc/52/47/53/1067524753.db2.gz HNMPHHZRINANAK-RUZDIDTESA-N 1 0 470.687 3.500 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)CCCCC1 ZINC001304443774 1067525786 /nfs/dbraw/zinc/52/57/86/1067525786.db2.gz WRNVQHVWESNJRD-GOSISDBHSA-N 1 0 460.648 3.155 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3cnn(C)c3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001302954994 1067527166 /nfs/dbraw/zinc/52/71/66/1067527166.db2.gz KJJVCCSXTSABKZ-SFTDATJTSA-N 1 0 456.683 3.293 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001304447367 1067528365 /nfs/dbraw/zinc/52/83/65/1067528365.db2.gz DRRBYZFGWAJDBH-UHFFFAOYSA-N 1 0 481.689 3.437 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302957499 1067528907 /nfs/dbraw/zinc/52/89/07/1067528907.db2.gz QNCKDIIUNMMKDA-NRFANRHFSA-N 1 0 482.673 3.111 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001302957847 1067529314 /nfs/dbraw/zinc/52/93/14/1067529314.db2.gz VHIPDFOSECBMOJ-UHFFFAOYSA-N 1 0 483.661 3.356 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302958693 1067530125 /nfs/dbraw/zinc/53/01/25/1067530125.db2.gz HCKARRXXDOCAKA-UHFFFAOYSA-N 1 0 487.737 3.266 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302958950 1067530757 /nfs/dbraw/zinc/53/07/57/1067530757.db2.gz LHPRISDOWQHURP-GOTSBHOMSA-N 1 0 487.737 3.168 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302959149 1067530965 /nfs/dbraw/zinc/53/09/65/1067530965.db2.gz PAJKDDKSVQOBPF-RPWUZVMVSA-N 1 0 487.737 3.170 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001302959612 1067531498 /nfs/dbraw/zinc/53/14/98/1067531498.db2.gz YIQJUOBRKXGIQV-XMMPIXPASA-N 1 0 487.737 3.122 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001302961925 1067533116 /nfs/dbraw/zinc/53/31/16/1067533116.db2.gz QHOBGBFVJGGIDA-QHCPKHFHSA-N 1 0 498.672 3.199 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001304453360 1067534310 /nfs/dbraw/zinc/53/43/10/1067534310.db2.gz NTROKRHYGWRADS-MRXNPFEDSA-N 1 0 469.540 3.484 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304453469 1067534712 /nfs/dbraw/zinc/53/47/12/1067534712.db2.gz YVAJKXXZFREDRF-IFMALSPDSA-N 1 0 482.654 3.182 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304456344 1067536672 /nfs/dbraw/zinc/53/66/72/1067536672.db2.gz NTFTXTHSWKUWBZ-UHFFFAOYSA-N 1 0 470.643 3.276 20 0 JGADRO Cc1cccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001304455940 1067536687 /nfs/dbraw/zinc/53/66/87/1067536687.db2.gz WLADHNVKISDCMV-KRWDZBQOSA-N 1 0 455.632 3.192 20 0 JGADRO Fc1ccccc1-c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(F)(F)Br ZINC001302971449 1067539337 /nfs/dbraw/zinc/53/93/37/1067539337.db2.gz ZXNGVMJPAQWQMO-AWEZNQCLSA-N 1 0 474.325 3.230 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001302971502 1067539850 /nfs/dbraw/zinc/53/98/50/1067539850.db2.gz FBLSRXRXCFHUTE-WMZHIEFXSA-N 1 0 457.648 3.327 20 0 JGADRO Cc1cccc(-c2nnc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)n2CCC(C)(C)O)n1 ZINC001304461949 1067540716 /nfs/dbraw/zinc/54/07/16/1067540716.db2.gz KAWIPENRCWHWFQ-SIKLNZKXSA-N 1 0 466.634 3.062 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304463779 1067541851 /nfs/dbraw/zinc/54/18/51/1067541851.db2.gz HZYGZWMCEJPLNO-RXVVDRJESA-N 1 0 499.660 3.109 20 0 JGADRO Fc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001302976120 1067542346 /nfs/dbraw/zinc/54/23/46/1067542346.db2.gz AGZSKQXSFMCGAB-SFHVURJKSA-N 1 0 471.499 3.060 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304465090 1067543182 /nfs/dbraw/zinc/54/31/82/1067543182.db2.gz MUBHTEHPZZEIBE-CUWPLCDZSA-N 1 0 469.634 3.482 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304465662 1067543988 /nfs/dbraw/zinc/54/39/88/1067543988.db2.gz OBBPJNATHVNLTA-RTBURBONSA-N 1 0 493.578 3.274 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCCC[NH+]2CCOCC2)n1 ZINC001304467407 1067545705 /nfs/dbraw/zinc/54/57/05/1067545705.db2.gz MBCMEHCECQVVCU-OAQYLSRUSA-N 1 0 499.660 3.112 20 0 JGADRO CC(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302984305 1067547776 /nfs/dbraw/zinc/54/77/76/1067547776.db2.gz CQNCTTSWIUAWTJ-UNMCSNQZSA-N 1 0 459.660 3.012 20 0 JGADRO CC(C)Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302987639 1067549436 /nfs/dbraw/zinc/54/94/36/1067549436.db2.gz UQSYRVFYUPENJQ-FCHUYYIVSA-N 1 0 490.693 3.063 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304472915 1067551136 /nfs/dbraw/zinc/55/11/36/1067551136.db2.gz AJGONGYQSRLDDC-FGZHOGPDSA-N 1 0 453.635 3.216 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304474372 1067552288 /nfs/dbraw/zinc/55/22/88/1067552288.db2.gz VOXUKKVYXITMNC-MOPGFXCFSA-N 1 0 457.623 3.434 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001302992235 1067553879 /nfs/dbraw/zinc/55/38/79/1067553879.db2.gz WHVRSXYKAWLBNX-OFNKIYASSA-N 1 0 488.702 3.405 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001304476893 1067554933 /nfs/dbraw/zinc/55/49/33/1067554933.db2.gz WTTQZLBCMCHCRI-HXUWFJFHSA-N 1 0 474.675 3.317 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001304476892 1067554944 /nfs/dbraw/zinc/55/49/44/1067554944.db2.gz WTTQZLBCMCHCRI-FQEVSTJZSA-N 1 0 474.675 3.317 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@H+](C)Cc2ccccc2)n1 ZINC001304479000 1067558227 /nfs/dbraw/zinc/55/82/27/1067558227.db2.gz PKWLYYFALCHGNG-QFIPXVFZSA-N 1 0 475.641 3.474 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(=O)Nc4ccccc4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304479447 1067558665 /nfs/dbraw/zinc/55/86/65/1067558665.db2.gz YFEPXMTWTFRBFQ-UHFFFAOYSA-N 1 0 490.656 3.140 20 0 JGADRO Cc1nc(CN2CCCN(c3nnc(-c4cccc(C)n4)n3CC[NH+](C(C)C)C(C)C)CC2)no1 ZINC001304479567 1067558987 /nfs/dbraw/zinc/55/89/87/1067558987.db2.gz WITAWKJYNZPNQV-UHFFFAOYSA-N 1 0 481.649 3.171 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCCOC(C)C)n1 ZINC001304479855 1067559340 /nfs/dbraw/zinc/55/93/40/1067559340.db2.gz DMLKJZOMXDTSPB-ZRZAMGCNSA-N 1 0 469.678 3.458 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001304479837 1067559400 /nfs/dbraw/zinc/55/94/00/1067559400.db2.gz DCNPHPXYTCDCLY-LJQANCHMSA-N 1 0 465.568 3.453 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001304480040 1067559684 /nfs/dbraw/zinc/55/96/84/1067559684.db2.gz ICGSTLWKRDDUPG-CTNGQTDRSA-N 1 0 499.660 3.110 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CCNC(=O)C(C)(C)C)n1 ZINC001304480733 1067560030 /nfs/dbraw/zinc/56/00/30/1067560030.db2.gz SWLJXEJWSXTPMT-UHFFFAOYSA-N 1 0 481.670 3.237 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)n2CCCC(=O)N(C)C)n1 ZINC001304480934 1067560616 /nfs/dbraw/zinc/56/06/16/1067560616.db2.gz VZGKSSDUFRKQTP-NRFANRHFSA-N 1 0 461.614 3.228 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](Cc4ccccc4C)CC3)n2CCCNC(=O)C(C)C)n1 ZINC001304481120 1067561031 /nfs/dbraw/zinc/56/10/31/1067561031.db2.gz ZEHVOWANXYYUJO-UHFFFAOYSA-N 1 0 475.641 3.441 20 0 JGADRO Cc1cccc(CC2(O)CCN(c3nnc([C@H]4CCOC4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001304483877 1067563248 /nfs/dbraw/zinc/56/32/48/1067563248.db2.gz YAHCVAJAYOLUAH-QHCPKHFHSA-N 1 0 455.647 3.395 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303008700 1067563295 /nfs/dbraw/zinc/56/32/95/1067563295.db2.gz ONWOEHOKBAJJDW-RUZDIDTESA-N 1 0 457.619 3.434 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001303010872 1067565430 /nfs/dbraw/zinc/56/54/30/1067565430.db2.gz YNNNNXNPZQZOSG-CYFREDJKSA-N 1 0 477.053 3.339 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001303012378 1067567076 /nfs/dbraw/zinc/56/70/76/1067567076.db2.gz ZATSUARIDHJSSN-ZEQKJWHPSA-N 1 0 466.630 3.316 20 0 JGADRO Cc1cccc(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)C)CC2)n1 ZINC001304488914 1067567154 /nfs/dbraw/zinc/56/71/54/1067567154.db2.gz RNSOVOZECZFMPI-UHFFFAOYSA-N 1 0 467.643 3.136 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCc2cccc(C)n2)n1 ZINC001304489415 1067567702 /nfs/dbraw/zinc/56/77/02/1067567702.db2.gz YQFHZHQNPVQLPE-UHFFFAOYSA-N 1 0 450.635 3.396 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001303014621 1067569103 /nfs/dbraw/zinc/56/91/03/1067569103.db2.gz BRKJZBBOYXNROJ-FKIGELJASA-N 1 0 498.716 3.037 20 0 JGADRO Cc1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001304492236 1067569765 /nfs/dbraw/zinc/56/97/65/1067569765.db2.gz XUOCLGRJWPIAJZ-UHFFFAOYSA-N 1 0 476.629 3.430 20 0 JGADRO Cc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001304493396 1067570340 /nfs/dbraw/zinc/57/03/40/1067570340.db2.gz DUHFXPIWHPEPIF-UHFFFAOYSA-N 1 0 467.643 3.136 20 0 JGADRO CC(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001303021016 1067572709 /nfs/dbraw/zinc/57/27/09/1067572709.db2.gz HWZUHQPIPVHJFD-FQEVSTJZSA-N 1 0 468.712 3.417 20 0 JGADRO CC(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001303021017 1067572815 /nfs/dbraw/zinc/57/28/15/1067572815.db2.gz HWZUHQPIPVHJFD-HXUWFJFHSA-N 1 0 468.712 3.417 20 0 JGADRO CC(C)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001303021490 1067573229 /nfs/dbraw/zinc/57/32/29/1067573229.db2.gz OLJZGYRFYABOCW-OAQYLSRUSA-N 1 0 474.675 3.306 20 0 JGADRO Cc1cccc(NC(=O)CN2CCN(c3nnc(C(C)C)n3CC(C)(C)C[NH+](C)C)CC2)c1C ZINC001304498066 1067573434 /nfs/dbraw/zinc/57/34/34/1067573434.db2.gz UPOXMDWIIRXHFI-UHFFFAOYSA-N 1 0 469.678 3.367 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001303022841 1067574730 /nfs/dbraw/zinc/57/47/30/1067574730.db2.gz RGZYQOBEFYOSRY-DEOSSOPVSA-N 1 0 474.675 3.131 20 0 JGADRO Cc1cccc(NC(=O)CN2CCN(c3nnc(C4CCC4)n3CC[N@@H+](C)C(C)C)CC2)c1C ZINC001304501528 1067576033 /nfs/dbraw/zinc/57/60/33/1067576033.db2.gz ZHJCQICXSDVSLX-UHFFFAOYSA-N 1 0 467.662 3.263 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304504529 1067578468 /nfs/dbraw/zinc/57/84/68/1067578468.db2.gz UVDLKQKEWPODRP-OAQYLSRUSA-N 1 0 468.646 3.379 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@H](N4CCCC4=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001304507517 1067581386 /nfs/dbraw/zinc/58/13/86/1067581386.db2.gz RPCSCFAJPWDNFT-FCHUYYIVSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304508740 1067582662 /nfs/dbraw/zinc/58/26/62/1067582662.db2.gz AKVRDIMETUNMDL-PMACEKPBSA-N 1 0 456.635 3.247 20 0 JGADRO NC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303039304 1067584555 /nfs/dbraw/zinc/58/45/55/1067584555.db2.gz SVOFSUKYLGTCNK-GOSISDBHSA-N 1 0 495.455 3.191 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001304510415 1067584932 /nfs/dbraw/zinc/58/49/32/1067584932.db2.gz NYHBHZDZGNRFTL-NHCUHLMSSA-N 1 0 454.619 3.132 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001303040504 1067585484 /nfs/dbraw/zinc/58/54/84/1067585484.db2.gz GURPYWNROZCQHL-FQEVSTJZSA-N 1 0 477.675 3.332 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001304511052 1067586195 /nfs/dbraw/zinc/58/61/95/1067586195.db2.gz GKQMLGSEKLMLTA-QUCCMNQESA-N 1 0 468.627 3.197 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2C[C@](C)(O)C(C)C)c1 ZINC001304511487 1067587169 /nfs/dbraw/zinc/58/71/69/1067587169.db2.gz CSZQYDTVVPDZHD-RLWLMLJZSA-N 1 0 471.646 3.262 20 0 JGADRO CC(C)CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001303046678 1067589320 /nfs/dbraw/zinc/58/93/20/1067589320.db2.gz DSNDMEDUONZUTD-UHFFFAOYSA-N 1 0 470.666 3.045 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[NH+]1CCC(C)CC1 ZINC001303050460 1067591121 /nfs/dbraw/zinc/59/11/21/1067591121.db2.gz YMLZBDGJTRDCSC-UHFFFAOYSA-N 1 0 451.619 3.406 20 0 JGADRO NC(=O)COC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001303051985 1067591830 /nfs/dbraw/zinc/59/18/30/1067591830.db2.gz WVHRDCFXMPDCKB-UHFFFAOYSA-N 1 0 493.077 3.180 20 0 JGADRO CC(=O)c1ccc(Nc2ccccc2C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001303054886 1067594032 /nfs/dbraw/zinc/59/40/32/1067594032.db2.gz XQNRGVFRSNXQKL-QHCPKHFHSA-N 1 0 450.583 3.159 20 0 JGADRO CC(C)CCN(c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC001303057782 1067595631 /nfs/dbraw/zinc/59/56/31/1067595631.db2.gz NQROIOBBCCPTLP-AREMUKBSSA-N 1 0 490.693 3.474 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304520027 1067595650 /nfs/dbraw/zinc/59/56/50/1067595650.db2.gz KKGWZAHRWJWFQP-YDHSSHFGSA-N 1 0 477.700 3.123 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304522837 1067597494 /nfs/dbraw/zinc/59/74/94/1067597494.db2.gz WQYYQCQMMXITEF-UHFFFAOYSA-N 1 0 464.662 3.266 20 0 JGADRO O=C(C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCC[N@H+]2CCCO)CC1)C(F)(F)F ZINC001303062398 1067597771 /nfs/dbraw/zinc/59/77/71/1067597771.db2.gz SEKXXYYTDDVNRW-LJQANCHMSA-N 1 0 471.568 3.205 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001304523796 1067597831 /nfs/dbraw/zinc/59/78/31/1067597831.db2.gz BQFVTIYYFMULSU-PZJWPPBQSA-N 1 0 459.660 3.389 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001304524682 1067598271 /nfs/dbraw/zinc/59/82/71/1067598271.db2.gz JSLSXUZHTNXMKL-JOCHJYFZSA-N 1 0 484.689 3.016 20 0 JGADRO 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Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001304537567 1067609371 /nfs/dbraw/zinc/60/93/71/1067609371.db2.gz QOVXQZQICAYQAW-UXHICEINSA-N 1 0 480.579 3.173 20 0 JGADRO O=C(Nc1ccccn1)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCSC(F)(F)F ZINC001303078197 1067611314 /nfs/dbraw/zinc/61/13/14/1067611314.db2.gz NDYSZUJSNDLDEJ-OAHLLOKOSA-N 1 0 469.537 3.243 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001304541807 1067612597 /nfs/dbraw/zinc/61/25/97/1067612597.db2.gz GBPWLHDPGHGLCW-XMMPIXPASA-N 1 0 491.684 3.460 20 0 JGADRO CC(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001303080222 1067614168 /nfs/dbraw/zinc/61/41/68/1067614168.db2.gz JCJCIWBCBMVIJC-XMMPIXPASA-N 1 0 454.663 3.472 20 0 JGADRO Cc1ccccc1[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001304544761 1067615192 /nfs/dbraw/zinc/61/51/92/1067615192.db2.gz XZOSEBPDAGYOIP-QUCCMNQESA-N 1 0 468.627 3.106 20 0 JGADRO 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CC(C)CC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001303089944 1067626222 /nfs/dbraw/zinc/62/62/22/1067626222.db2.gz JWWXMTGFCWZFFL-OAQYLSRUSA-N 1 0 474.675 3.112 20 0 JGADRO O=C(NCC1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303090039 1067626270 /nfs/dbraw/zinc/62/62/70/1067626270.db2.gz UKZSQSBVIGWPEM-UHFFFAOYSA-N 1 0 479.551 3.111 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCCCC1 ZINC001304557763 1067626551 /nfs/dbraw/zinc/62/65/51/1067626551.db2.gz WITFNCHHADRGLT-QFIPXVFZSA-N 1 0 459.660 3.067 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001303090284 1067626658 /nfs/dbraw/zinc/62/66/58/1067626658.db2.gz REHZZTAQULPZCQ-UFYCRDLUSA-N 1 0 468.712 3.271 20 0 JGADRO O=C(NCc1nnc(N2CCC[C@H](C(F)F)C2)n1CCC[NH+]1CCCC1)c1cccs1 ZINC001303090384 1067627085 /nfs/dbraw/zinc/62/70/85/1067627085.db2.gz ZCFUNCNQUHGWMH-INIZCTEOSA-N 1 0 452.575 3.237 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccccc3F)nnc2N2CCS(=O)CC2)CC1 ZINC001303091139 1067627877 /nfs/dbraw/zinc/62/78/77/1067627877.db2.gz NKTASWUFVCSKRT-UHFFFAOYSA-N 1 0 477.650 3.323 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001304558771 1067627972 /nfs/dbraw/zinc/62/79/72/1067627972.db2.gz GEDBJUZHQSLNRH-HXUWFJFHSA-N 1 0 467.662 3.290 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001303091302 1067628154 /nfs/dbraw/zinc/62/81/54/1067628154.db2.gz SJCUEXXTNYEEFJ-YADHBBJMSA-N 1 0 465.708 3.421 20 0 JGADRO Cc1cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc(C)c1OCc1cccnc1 ZINC001303091426 1067628518 /nfs/dbraw/zinc/62/85/18/1067628518.db2.gz AZZKYLSFBQYFHN-UHFFFAOYSA-N 1 0 450.583 3.223 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001303091522 1067628613 /nfs/dbraw/zinc/62/86/13/1067628613.db2.gz UYMMANAGFNJLOE-JOCHJYFZSA-N 1 0 466.674 3.488 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001303091672 1067628974 /nfs/dbraw/zinc/62/89/74/1067628974.db2.gz VKFCCACYKMXDOT-UXHICEINSA-N 1 0 487.661 3.420 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001303094754 1067631403 /nfs/dbraw/zinc/63/14/03/1067631403.db2.gz JCROWFLJVBDYKO-CJFMBICVSA-N 1 0 486.686 3.119 20 0 JGADRO O=C(C[C@H](c1ccccc1)N1CCOC1=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001303094607 1067631405 /nfs/dbraw/zinc/63/14/05/1067631405.db2.gz HVUJKNKRAXPYMY-HSZRJFAPSA-N 1 0 451.567 3.103 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(CCOC(C)C)CC2)n1CC[NH+]1CCCCC1 ZINC001304561296 1067631583 /nfs/dbraw/zinc/63/15/83/1067631583.db2.gz NEXBPINFGYKQMQ-UHFFFAOYSA-N 1 0 454.663 3.210 20 0 JGADRO Cc1cc(=O)oc2cc(OCC(=O)NCCC3(O)CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC001303095265 1067631767 /nfs/dbraw/zinc/63/17/67/1067631767.db2.gz QUZQABZEMAVPLA-UHFFFAOYSA-N 1 0 450.535 3.014 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001304562086 1067632306 /nfs/dbraw/zinc/63/23/06/1067632306.db2.gz JOZIYLURTNKDDW-DHIUTWEWSA-N 1 0 498.672 3.247 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001304562093 1067632320 /nfs/dbraw/zinc/63/23/20/1067632320.db2.gz JOZIYLURTNKDDW-XZOQPEGZSA-N 1 0 498.672 3.247 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001303099419 1067637373 /nfs/dbraw/zinc/63/73/73/1067637373.db2.gz JHABLXWXNFFJCA-OAQYLSRUSA-N 1 0 489.686 3.337 20 0 JGADRO Cc1ccccc1N1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001304569932 1067637380 /nfs/dbraw/zinc/63/73/80/1067637380.db2.gz GGMAVMNFCLOSNX-UHFFFAOYSA-N 1 0 455.651 3.170 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCC[NH+]2CCCC2)cc1 ZINC001303100870 1067639541 /nfs/dbraw/zinc/63/95/41/1067639541.db2.gz VASYJIFYXNSCDV-UHFFFAOYSA-N 1 0 475.659 3.091 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001303103468 1067642063 /nfs/dbraw/zinc/64/20/63/1067642063.db2.gz WWJNHRNGJXJWRQ-HXUWFJFHSA-N 1 0 454.619 3.133 20 0 JGADRO CC(C)CCOC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001303108917 1067646522 /nfs/dbraw/zinc/64/65/22/1067646522.db2.gz AZUCHPAHLVODDX-JTHBVZDNSA-N 1 0 463.667 3.170 20 0 JGADRO Cc1ccnc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3CCC(C)CC3)CC2)c1 ZINC001304582034 1067650817 /nfs/dbraw/zinc/65/08/17/1067650817.db2.gz DTEBOKIUIPKULF-UHFFFAOYSA-N 1 0 483.661 3.290 20 0 JGADRO Cc1ccc([C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC=C(C)C2)[NH+]2CCCC2)cc1 ZINC001304585945 1067654541 /nfs/dbraw/zinc/65/45/41/1067654541.db2.gz XPHNOCLASSZTAX-IFMALSPDSA-N 1 0 472.659 3.190 20 0 JGADRO CC1=CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001304586948 1067655703 /nfs/dbraw/zinc/65/57/03/1067655703.db2.gz QKVKULMYYUYKKL-FQEVSTJZSA-N 1 0 450.356 3.070 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC=C(C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304596624 1067660209 /nfs/dbraw/zinc/66/02/09/1067660209.db2.gz FEHNXRWSSIAREQ-QHCPKHFHSA-N 1 0 450.631 3.276 20 0 JGADRO Cc1cnn(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001304604081 1067670095 /nfs/dbraw/zinc/67/00/95/1067670095.db2.gz VBIAUDYSNPGBSA-UHFFFAOYSA-N 1 0 485.036 3.033 20 0 JGADRO CC(C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001303128237 1067670184 /nfs/dbraw/zinc/67/01/84/1067670184.db2.gz FNUMIRYFGTUVNK-JOCHJYFZSA-N 1 0 476.691 3.408 20 0 JGADRO O=S1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)CC1 ZINC001303133779 1067673471 /nfs/dbraw/zinc/67/34/71/1067673471.db2.gz GHZZHRQTVWMNNW-UHFFFAOYSA-N 1 0 472.442 3.219 20 0 JGADRO Cc1cnc([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001304609400 1067676943 /nfs/dbraw/zinc/67/69/43/1067676943.db2.gz ISANDAVLZMHFOJ-AEFFLSMTSA-N 1 0 459.664 3.356 20 0 JGADRO OC1(C(F)(F)F)CCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCCC2)CC1 ZINC001303136480 1067677685 /nfs/dbraw/zinc/67/76/85/1067677685.db2.gz RCVMQFHQFAQVDU-UHFFFAOYSA-N 1 0 459.463 3.137 20 0 JGADRO CC(C)CN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[NH+]1CCSCC1 ZINC001303138553 1067679060 /nfs/dbraw/zinc/67/90/60/1067679060.db2.gz NYPMAZXVPJTJRI-UHFFFAOYSA-N 1 0 469.659 3.377 20 0 JGADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303143181 1067681827 /nfs/dbraw/zinc/68/18/27/1067681827.db2.gz ATNRCNPMWHOUHM-RTBURBONSA-N 1 0 459.557 3.015 20 0 JGADRO OC1CC[NH+](CCCn2c(-c3ccccc3F)nnc2N2CCC=C(Br)C2)CC1 ZINC001303144763 1067683834 /nfs/dbraw/zinc/68/38/34/1067683834.db2.gz XQNAJTHYWBLPEH-UHFFFAOYSA-N 1 0 464.383 3.420 20 0 JGADRO O[C@H]1CCC[C@H](Cn2c(C3CCC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001303144870 1067684349 /nfs/dbraw/zinc/68/43/49/1067684349.db2.gz YTJLHQIZHVDPPG-HKUYNNGSSA-N 1 0 459.557 3.188 20 0 JGADRO 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CC(C)[N@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC001303267964 1067795096 /nfs/dbraw/zinc/79/50/96/1067795096.db2.gz LRAVSSOEOKGDOF-DENIHFKCSA-N 1 0 472.609 3.236 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303267897 1067795338 /nfs/dbraw/zinc/79/53/38/1067795338.db2.gz JPOQMHVLDBMFHE-GOSISDBHSA-N 1 0 465.524 3.014 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001303268423 1067796210 /nfs/dbraw/zinc/79/62/10/1067796210.db2.gz HPHOZAVWZGBQEL-LJQANCHMSA-N 1 0 450.534 3.213 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001303268639 1067796871 /nfs/dbraw/zinc/79/68/71/1067796871.db2.gz KLBQYMAOQQHQFA-FQEVSTJZSA-N 1 0 463.586 3.171 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001303268906 1067797439 /nfs/dbraw/zinc/79/74/39/1067797439.db2.gz SVTYWCQQYCPWLA-QFIPXVFZSA-N 1 0 469.678 3.373 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001304725636 1067797973 /nfs/dbraw/zinc/79/79/73/1067797973.db2.gz NDKUBSZLOQVQDM-HXUWFJFHSA-N 1 0 470.710 3.370 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303269338 1067798425 /nfs/dbraw/zinc/79/84/25/1067798425.db2.gz YHUXOKASZWXLQY-FQEVSTJZSA-N 1 0 471.650 3.345 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001303270028 1067798814 /nfs/dbraw/zinc/79/88/14/1067798814.db2.gz FMCKIAHPNZWPQV-UHFFFAOYSA-N 1 0 490.534 3.142 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001303269883 1067798936 /nfs/dbraw/zinc/79/89/36/1067798936.db2.gz CQMXCSIIHWDVIB-HNNXBMFYSA-N 1 0 453.374 3.233 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001303270692 1067799162 /nfs/dbraw/zinc/79/91/62/1067799162.db2.gz FKHAOTPJANYZKR-OAQYLSRUSA-N 1 0 461.614 3.327 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001303270717 1067799253 /nfs/dbraw/zinc/79/92/53/1067799253.db2.gz GCXHPMGISAYTGU-UHFFFAOYSA-N 1 0 475.641 3.352 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001303270927 1067799536 /nfs/dbraw/zinc/79/95/36/1067799536.db2.gz MTEIXUBQNLHQTN-AOMKIAJQSA-N 1 0 451.974 3.462 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1 ZINC001303271323 1067799935 /nfs/dbraw/zinc/79/99/35/1067799935.db2.gz QHRRDVCIJZWDQC-UHFFFAOYSA-N 1 0 451.662 3.021 20 0 JGADRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273180 1067801652 /nfs/dbraw/zinc/80/16/52/1067801652.db2.gz IDBQNHGEBMCLKG-HZPDHXFCSA-N 1 0 458.282 3.357 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001303275092 1067802048 /nfs/dbraw/zinc/80/20/48/1067802048.db2.gz RXCWXDBRFANWAS-NHCUHLMSSA-N 1 0 476.691 3.431 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC001303275094 1067802206 /nfs/dbraw/zinc/80/22/06/1067802206.db2.gz RXCWXDBRFANWAS-SFTDATJTSA-N 1 0 476.691 3.431 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1 ZINC001303275536 1067802706 /nfs/dbraw/zinc/80/27/06/1067802706.db2.gz COBNGUFGVFSLPA-LJQANCHMSA-N 1 0 450.628 3.163 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001303275486 1067802749 /nfs/dbraw/zinc/80/27/49/1067802749.db2.gz YMGOBZAKFOYSKM-QFIPXVFZSA-N 1 0 454.619 3.259 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001303275603 1067802927 /nfs/dbraw/zinc/80/29/27/1067802927.db2.gz FESQXXUGPBXBJK-SFHVURJKSA-N 1 0 459.982 3.154 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275112 1067802939 /nfs/dbraw/zinc/80/29/39/1067802939.db2.gz SLCPFEOOXBCOQH-UNMCSNQZSA-N 1 0 454.619 3.349 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001303275807 1067803400 /nfs/dbraw/zinc/80/34/00/1067803400.db2.gz HNJJVMSAVUWTNH-HSZRJFAPSA-N 1 0 486.636 3.280 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001303276691 1067804392 /nfs/dbraw/zinc/80/43/92/1067804392.db2.gz JFVJEOPZOBCDCO-UHFFFAOYSA-N 1 0 460.652 3.058 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 ZINC001303277939 1067804999 /nfs/dbraw/zinc/80/49/99/1067804999.db2.gz XCBJFAOZTBXDOY-PXNSSMCTSA-N 1 0 478.435 3.463 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001303277316 1067805154 /nfs/dbraw/zinc/80/51/54/1067805154.db2.gz OZRUVHJNGMWUPK-JOCHJYFZSA-N 1 0 461.614 3.093 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001303278072 1067805641 /nfs/dbraw/zinc/80/56/41/1067805641.db2.gz YKOYMRVMJXGGIN-ZWKOTPCHSA-N 1 0 476.025 3.026 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001303277997 1067805697 /nfs/dbraw/zinc/80/56/97/1067805697.db2.gz YOLJDWCKXBTRLO-JOCHJYFZSA-N 1 0 456.541 3.460 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001304732607 1067806161 /nfs/dbraw/zinc/80/61/61/1067806161.db2.gz IAKCQRMBIZHKKZ-LVCYWYKZSA-N 1 0 458.655 3.339 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4cccnc4)n3C[C@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001304732695 1067806214 /nfs/dbraw/zinc/80/62/14/1067806214.db2.gz FQKCUIGSRZWPAM-YADHBBJMSA-N 1 0 451.623 3.366 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CC1CCOCC1 ZINC001303278879 1067807961 /nfs/dbraw/zinc/80/79/61/1067807961.db2.gz SXDHAEXRXDOSKM-BGYRXZFFSA-N 1 0 464.655 3.252 20 0 JGADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001303282043 1067809852 /nfs/dbraw/zinc/80/98/52/1067809852.db2.gz PGKMXCXUNPXLSJ-PKOBYXMFSA-N 1 0 463.623 3.217 20 0 JGADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001304737871 1067811785 /nfs/dbraw/zinc/81/17/85/1067811785.db2.gz SIOVCFGXGXORIP-FQEVSTJZSA-N 1 0 484.674 3.265 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C ZINC001303290912 1067815000 /nfs/dbraw/zinc/81/50/00/1067815000.db2.gz HQIIDFAEPXGNIZ-KRWDZBQOSA-N 1 0 494.438 3.185 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)C(C)C ZINC001303291011 1067815034 /nfs/dbraw/zinc/81/50/34/1067815034.db2.gz INFCHMNXQFJXHO-VWLOTQADSA-N 1 0 466.634 3.335 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCSC1)C(C)C ZINC001303291272 1067815321 /nfs/dbraw/zinc/81/53/21/1067815321.db2.gz MNUQLKYLRTYQFV-NRFANRHFSA-N 1 0 469.663 3.371 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C ZINC001303291332 1067815531 /nfs/dbraw/zinc/81/55/31/1067815531.db2.gz OQQDBAPHYZFYQJ-HSZRJFAPSA-N 1 0 486.636 3.421 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2c[nH]c3ccccc32)nnc1N(C)CC(=O)N1CCOCC1)C(C)C ZINC001303291364 1067815759 /nfs/dbraw/zinc/81/57/59/1067815759.db2.gz GZJBBCGQVNRLMB-UHFFFAOYSA-N 1 0 481.645 3.230 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CC[NH+]2CCCCC2)n1 ZINC001304740608 1067815975 /nfs/dbraw/zinc/81/59/75/1067815975.db2.gz KZPCZIOOKZGXOD-UHFFFAOYSA-N 1 0 485.036 3.354 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)C(C)C ZINC001303292228 1067817580 /nfs/dbraw/zinc/81/75/80/1067817580.db2.gz AAHIWJVLCPMFFE-UHFFFAOYSA-N 1 0 494.566 3.004 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(F)c2)C1)C(C)C ZINC001303292374 1067817866 /nfs/dbraw/zinc/81/78/66/1067817866.db2.gz YHXTXTNOVUKOOY-YADHBBJMSA-N 1 0 472.609 3.455 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(F)cc(F)cc2C1)C(C)C ZINC001303292694 1067818295 /nfs/dbraw/zinc/81/82/95/1067818295.db2.gz MROXZRBABIAOAH-UHFFFAOYSA-N 1 0 460.573 3.474 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCOC1)C(C)C ZINC001303292830 1067818638 /nfs/dbraw/zinc/81/86/38/1067818638.db2.gz QKISJEOGPQIQFC-FQEVSTJZSA-N 1 0 463.026 3.205 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC(C)(C)[C@H]1C)C(C)C ZINC001303295307 1067818918 /nfs/dbraw/zinc/81/89/18/1067818918.db2.gz AGELBRXGHLHHRH-LJQANCHMSA-N 1 0 467.622 3.043 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1)C(C)C ZINC001303295829 1067819792 /nfs/dbraw/zinc/81/97/92/1067819792.db2.gz IXWJMPSDMJDHEW-VWLOTQADSA-N 1 0 451.619 3.257 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001304742632 1067820171 /nfs/dbraw/zinc/82/01/71/1067820171.db2.gz VZGUHVAPMDYZCO-HSZRJFAPSA-N 1 0 495.676 3.046 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)C(C)C ZINC001303296982 1067820840 /nfs/dbraw/zinc/82/08/40/1067820840.db2.gz NRWCLLRZUBXINF-FUHIMQAGSA-N 1 0 492.517 3.319 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)C(C)C ZINC001303298002 1067822246 /nfs/dbraw/zinc/82/22/46/1067822246.db2.gz ZFHXLQAVFNMTLH-LJQANCHMSA-N 1 0 467.584 3.456 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCCCC[C@@H]21)C(C)C ZINC001303298254 1067822566 /nfs/dbraw/zinc/82/25/66/1067822566.db2.gz JVQFWMDYKWHABD-NJYVYQBISA-N 1 0 451.681 3.458 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CCCNC(=O)OC(C)(C)C)CC2)CC1 ZINC001303298369 1067823259 /nfs/dbraw/zinc/82/32/59/1067823259.db2.gz RMTSXQFMYFWIGS-UHFFFAOYSA-N 1 0 491.725 3.485 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1)C(C)C ZINC001303298545 1067823536 /nfs/dbraw/zinc/82/35/36/1067823536.db2.gz LPZMTIODNDAIGV-XMMPIXPASA-N 1 0 453.566 3.091 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304745733 1067825133 /nfs/dbraw/zinc/82/51/33/1067825133.db2.gz UVZJZEFXNRTERR-IBGZPJMESA-N 1 0 455.582 3.278 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CCC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001303301179 1067825383 /nfs/dbraw/zinc/82/53/83/1067825383.db2.gz BUYYSCRLEALPPS-HXUWFJFHSA-N 1 0 476.666 3.274 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304745762 1067825559 /nfs/dbraw/zinc/82/55/59/1067825559.db2.gz VJEPMCSMJCXUHT-LJQANCHMSA-N 1 0 455.582 3.278 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001303301885 1067825919 /nfs/dbraw/zinc/82/59/19/1067825919.db2.gz UGPMBPFKRHGMID-XSJBNIOMSA-N 1 0 489.686 3.129 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001303301882 1067826119 /nfs/dbraw/zinc/82/61/19/1067826119.db2.gz UGPMBPFKRHGMID-GMWXTNTRSA-N 1 0 489.686 3.129 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001303301933 1067826455 /nfs/dbraw/zinc/82/64/55/1067826455.db2.gz VXBZZZZGJXJCTF-UHFFFAOYSA-N 1 0 462.023 3.322 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CCCc3ccccc3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001303302510 1067827135 /nfs/dbraw/zinc/82/71/35/1067827135.db2.gz KPCBNVPVVUAAFT-HSZRJFAPSA-N 1 0 455.647 3.161 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303303001 1067828079 /nfs/dbraw/zinc/82/80/79/1067828079.db2.gz QJJRTSQDUKWSCG-QZTJIDSGSA-N 1 0 456.557 3.413 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2F)C1 ZINC001303303161 1067828154 /nfs/dbraw/zinc/82/81/54/1067828154.db2.gz DCEJOPCBGXFKSH-AZUAARDMSA-N 1 0 458.582 3.004 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N3CCN(c4ccccc4F)CC3)nnc2C(C)(C)C)CC1 ZINC001303303297 1067828727 /nfs/dbraw/zinc/82/87/27/1067828727.db2.gz UODZBOWQXCBDHV-UHFFFAOYSA-N 1 0 458.626 3.277 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N4CCCCC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304748871 1067828814 /nfs/dbraw/zinc/82/88/14/1067828814.db2.gz NLKYSDZQWZGXKX-XMMPIXPASA-N 1 0 498.720 3.345 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303400 1067828882 /nfs/dbraw/zinc/82/88/82/1067828882.db2.gz GOGBRSDBMCCRBI-NHCUHLMSSA-N 1 0 476.666 3.350 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001303303859 1067829671 /nfs/dbraw/zinc/82/96/71/1067829671.db2.gz AHWBFNPPSBSPPV-IPMKNSEASA-N 1 0 458.573 3.323 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(CO)CC2)C1 ZINC001303304241 1067830290 /nfs/dbraw/zinc/83/02/90/1067830290.db2.gz FJJUQXSOEBBZPT-FDFHNCONSA-N 1 0 490.693 3.378 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001303304173 1067830469 /nfs/dbraw/zinc/83/04/69/1067830469.db2.gz DJGTXJOTPSAYIE-IBGZPJMESA-N 1 0 465.689 3.064 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001303304566 1067831552 /nfs/dbraw/zinc/83/15/52/1067831552.db2.gz OCAFSCBOWSZGFC-OTWHNJEPSA-N 1 0 465.639 3.462 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)c2ccccc2)CC1 ZINC001303304637 1067832266 /nfs/dbraw/zinc/83/22/66/1067832266.db2.gz ITNCYNLTZSOZLY-OAQYLSRUSA-N 1 0 476.629 3.371 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304752779 1067833197 /nfs/dbraw/zinc/83/31/97/1067833197.db2.gz UJKDFSXHDUEDFY-OALUTQOASA-N 1 0 483.583 3.418 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001303305280 1067833943 /nfs/dbraw/zinc/83/39/43/1067833943.db2.gz SLECDIJTWVHKQM-OALUTQOASA-N 1 0 467.584 3.477 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCC(F)(F)F)CC1 ZINC001303305935 1067834138 /nfs/dbraw/zinc/83/41/38/1067834138.db2.gz XRHQELPJTITRCP-UHFFFAOYSA-N 1 0 471.553 3.141 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001304754429 1067836155 /nfs/dbraw/zinc/83/61/55/1067836155.db2.gz QLXBZSOFWMFVRH-GOSISDBHSA-N 1 0 497.591 3.398 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001303308494 1067836888 /nfs/dbraw/zinc/83/68/88/1067836888.db2.gz YVNBDSHELLVVQZ-UHFFFAOYSA-N 1 0 484.041 3.483 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC(F)F)CC1 ZINC001303308512 1067837124 /nfs/dbraw/zinc/83/71/24/1067837124.db2.gz ZTEAARWQGXYDQO-UHFFFAOYSA-N 1 0 491.406 3.071 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCc2ccn(C)n2)CC1 ZINC001303308513 1067837289 /nfs/dbraw/zinc/83/72/89/1067837289.db2.gz ZTUDSESTWXAZFZ-UHFFFAOYSA-N 1 0 459.545 3.443 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC[C@@H]2CCCO2)CC1 ZINC001303310013 1067837570 /nfs/dbraw/zinc/83/75/70/1067837570.db2.gz CYGZEZAGMNIXPL-IBGZPJMESA-N 1 0 495.466 3.162 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 ZINC001303310633 1067839046 /nfs/dbraw/zinc/83/90/46/1067839046.db2.gz PXAGVKXIWMSHCP-KRWDZBQOSA-N 1 0 463.424 3.298 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(C)COCCO2)CC1 ZINC001303310953 1067839975 /nfs/dbraw/zinc/83/99/75/1067839975.db2.gz OIRNVCHEBKMOAJ-OAQYLSRUSA-N 1 0 464.408 3.044 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)c2ccccc2F)CC1 ZINC001303311002 1067840051 /nfs/dbraw/zinc/84/00/51/1067840051.db2.gz QGWVJZBRLJUTHN-UHFFFAOYSA-N 1 0 480.592 3.121 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC2CCOCC2)CC1 ZINC001303311148 1067840066 /nfs/dbraw/zinc/84/00/66/1067840066.db2.gz RXHXUUYVDWOVMA-UHFFFAOYSA-N 1 0 495.466 3.399 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC(F)F)CC1 ZINC001303311242 1067840520 /nfs/dbraw/zinc/84/05/20/1067840520.db2.gz XGGCEARLJAKDSQ-UHFFFAOYSA-N 1 0 459.545 3.333 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303312109 1067841557 /nfs/dbraw/zinc/84/15/57/1067841557.db2.gz YZUZZALVAYPBSP-OAHLLOKOSA-N 1 0 481.464 3.214 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCCO2)CC1 ZINC001303313049 1067841890 /nfs/dbraw/zinc/84/18/90/1067841890.db2.gz MAQQRTSZWLOQFZ-OAQYLSRUSA-N 1 0 476.666 3.492 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCO[C@H](C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001304757992 1067842014 /nfs/dbraw/zinc/84/20/14/1067842014.db2.gz BREIOKAWXQBPOM-KNQAVFIVSA-N 1 0 455.582 3.197 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2cc(Br)cn2)CC1 ZINC001303313076 1067841914 /nfs/dbraw/zinc/84/19/14/1067841914.db2.gz MDXAHEWFEUXOFL-SFHVURJKSA-N 1 0 466.428 3.099 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCO[C@@H](C)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001304757971 1067842074 /nfs/dbraw/zinc/84/20/74/1067842074.db2.gz BEAWRDCVXMTWNZ-QFIPXVFZSA-N 1 0 481.645 3.134 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001303312817 1067842106 /nfs/dbraw/zinc/84/21/06/1067842106.db2.gz JSVBTGDFMRQUNW-HKUYNNGSSA-N 1 0 468.499 3.381 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2CCOc2c(C)cccc2C)n1 ZINC001304758259 1067842333 /nfs/dbraw/zinc/84/23/33/1067842333.db2.gz ADCYFBYBSCTTAW-UHFFFAOYSA-N 1 0 451.619 3.366 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)c3ccc(F)cc3)C2)CC1 ZINC001303316786 1067844226 /nfs/dbraw/zinc/84/42/26/1067844226.db2.gz IXUWMAYZGDGSOW-ATIYNZHBSA-N 1 0 472.653 3.227 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CCC[NH+]2CCCC2)n1 ZINC001304760038 1067845912 /nfs/dbraw/zinc/84/59/12/1067845912.db2.gz OAFQNTPMLQIHHM-OAQYLSRUSA-N 1 0 486.665 3.071 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304760085 1067846026 /nfs/dbraw/zinc/84/60/26/1067846026.db2.gz OJXGRBMDJHBGMX-LEWJYISDSA-N 1 0 496.626 3.333 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCc2cnn(C)c2)CC1 ZINC001303317329 1067846035 /nfs/dbraw/zinc/84/60/35/1067846035.db2.gz VAPODWDGNFSGTR-NRFANRHFSA-N 1 0 486.665 3.247 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CCC[NH+]2CCCC2)n1 ZINC001304760037 1067846095 /nfs/dbraw/zinc/84/60/95/1067846095.db2.gz OAFQNTPMLQIHHM-NRFANRHFSA-N 1 0 486.665 3.071 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001303317467 1067846341 /nfs/dbraw/zinc/84/63/41/1067846341.db2.gz PDAUBFAGMGTTBW-NRFANRHFSA-N 1 0 469.634 3.194 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCOCC2(C)C)CC1 ZINC001303317533 1067846604 /nfs/dbraw/zinc/84/66/04/1067846604.db2.gz YOMDUOPNTLQLDI-UHFFFAOYSA-N 1 0 477.053 3.152 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2c(F)cc(F)c(F)c2F)n1 ZINC001304760653 1067847187 /nfs/dbraw/zinc/84/71/87/1067847187.db2.gz SACFGFFPDHPZKS-UHFFFAOYSA-N 1 0 465.499 3.275 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC[C@H](F)C3)CC2)C1 ZINC001303317772 1067847468 /nfs/dbraw/zinc/84/74/68/1067847468.db2.gz CSCPLIPOECGZHT-BHIFYINESA-N 1 0 464.674 3.236 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(c4nc(C)c(C)s4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304761151 1067847537 /nfs/dbraw/zinc/84/75/37/1067847537.db2.gz UDSQIRQKSNNTAK-UHFFFAOYSA-N 1 0 485.706 3.270 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)n1 ZINC001304761045 1067847588 /nfs/dbraw/zinc/84/75/88/1067847588.db2.gz UMHRSNWTVCPXFC-UHFFFAOYSA-N 1 0 486.665 3.071 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CC[C@@H](F)C3)CC2)C1 ZINC001303317771 1067847570 /nfs/dbraw/zinc/84/75/70/1067847570.db2.gz CSCPLIPOECGZHT-BHDDXSALSA-N 1 0 464.674 3.236 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304761278 1067848029 /nfs/dbraw/zinc/84/80/29/1067848029.db2.gz YYPXFHVYMFRALM-HXUWFJFHSA-N 1 0 499.063 3.096 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(CO)c3)CC2)CC1 ZINC001303318207 1067848711 /nfs/dbraw/zinc/84/87/11/1067848711.db2.gz KXFFYIOHBZKMJO-UHFFFAOYSA-N 1 0 468.690 3.402 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001304763602 1067852065 /nfs/dbraw/zinc/85/20/65/1067852065.db2.gz FSKOESPSXDAKBQ-XXBNENTESA-N 1 0 457.667 3.105 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4cccc(F)c4)C3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304763651 1067852210 /nfs/dbraw/zinc/85/22/10/1067852210.db2.gz QYFKFMJQZPMQAR-JOCHJYFZSA-N 1 0 469.609 3.445 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001303325098 1067854143 /nfs/dbraw/zinc/85/41/43/1067854143.db2.gz QDNQPNCGFATMCK-LJQANCHMSA-N 1 0 480.613 3.212 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303325242 1067854430 /nfs/dbraw/zinc/85/44/30/1067854430.db2.gz QVHJHEGOSFDPFS-LJQANCHMSA-N 1 0 473.641 3.026 20 0 JGADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC001304765941 1067856219 /nfs/dbraw/zinc/85/62/19/1067856219.db2.gz IMVQTFQOSDDCRN-NZQKXSOJSA-N 1 0 499.708 3.196 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001303327831 1067856159 /nfs/dbraw/zinc/85/61/59/1067856159.db2.gz KYPNNAYARQSLLP-UNMCSNQZSA-N 1 0 482.608 3.106 20 0 JGADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCCC3)CCO2)n1 ZINC001304767944 1067858469 /nfs/dbraw/zinc/85/84/69/1067858469.db2.gz BGNKXTMUTVFXAU-NRFANRHFSA-N 1 0 457.667 3.460 20 0 JGADRO Cc1cc(C)n(CC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC001304768229 1067858496 /nfs/dbraw/zinc/85/84/96/1067858496.db2.gz PTJNJTDHCMVQCP-IBGZPJMESA-N 1 0 457.667 3.274 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)cc2)n1CC[N@H+]1CC=CCC1 ZINC001303330889 1067860891 /nfs/dbraw/zinc/86/08/91/1067860891.db2.gz HDEQNTBIWILPNF-UHFFFAOYSA-N 1 0 461.408 3.077 20 0 JGADRO Cc1cc(C)n(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC001304771255 1067862926 /nfs/dbraw/zinc/86/29/26/1067862926.db2.gz JCGRNMXFLHMPSX-QHCPKHFHSA-N 1 0 484.693 3.412 20 0 JGADRO 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CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001303417003 1067944818 /nfs/dbraw/zinc/94/48/18/1067944818.db2.gz RIOISACQDJVJHJ-FUHWJXTLSA-N 1 0 489.690 3.231 20 0 JGADRO Cc1nsc(N2CCCN(c3nnc(C(C)C)n3CCc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC001304901887 1067945689 /nfs/dbraw/zinc/94/56/89/1067945689.db2.gz NSMKZWCDGUEHML-UHFFFAOYSA-N 1 0 498.701 3.461 20 0 JGADRO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1C[C@H](c1cccs1)[NH+](C)C ZINC001304907126 1067950538 /nfs/dbraw/zinc/95/05/38/1067950538.db2.gz OMNBXRZMMRNDTE-FUHWJXTLSA-N 1 0 472.590 3.028 20 0 JGADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001304907475 1067951004 /nfs/dbraw/zinc/95/10/04/1067951004.db2.gz KWFODSQFMJEUDG-LJQANCHMSA-N 1 0 452.647 3.371 20 0 JGADRO CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001303426564 1067951620 /nfs/dbraw/zinc/95/16/20/1067951620.db2.gz VBLDPNIYEIUQQS-IFMALSPDSA-N 1 0 476.629 3.139 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001304909006 1067952651 /nfs/dbraw/zinc/95/26/51/1067952651.db2.gz CVZJZRABYQEDEX-KDURUIRLSA-N 1 0 474.675 3.110 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304911097 1067954443 /nfs/dbraw/zinc/95/44/43/1067954443.db2.gz KKWITROVMNWNCN-CEXWTWQISA-N 1 0 484.645 3.173 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cccn2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304911131 1067954908 /nfs/dbraw/zinc/95/49/08/1067954908.db2.gz KPCJKJHMCGMRAK-WOJBJXKFSA-N 1 0 457.667 3.249 20 0 JGADRO CC(C)NC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC(C)(C)C1 ZINC001303430739 1067955252 /nfs/dbraw/zinc/95/52/52/1067955252.db2.gz LPVWPBKIRAJGGM-UHFFFAOYSA-N 1 0 481.689 3.184 20 0 JGADRO C[C@H]1c2cc(F)cc(F)c2CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001304911640 1067955303 /nfs/dbraw/zinc/95/53/03/1067955303.db2.gz KXBLCKYRJYXGIH-HOTGVXAUSA-N 1 0 481.613 3.170 20 0 JGADRO CC(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001303430892 1067955532 /nfs/dbraw/zinc/95/55/32/1067955532.db2.gz PTVNJPMYICIRNH-DEOSSOPVSA-N 1 0 475.641 3.279 20 0 JGADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCc2ccccc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001304912127 1067955570 /nfs/dbraw/zinc/95/55/70/1067955570.db2.gz OTYRYFLNCLCVRI-NQIIRXRSSA-N 1 0 452.628 3.095 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)C1 ZINC001304913068 1067957120 /nfs/dbraw/zinc/95/71/20/1067957120.db2.gz SRZXSTQJMMALPR-AQNXPRMDSA-N 1 0 451.681 3.317 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001304912980 1067957276 /nfs/dbraw/zinc/95/72/76/1067957276.db2.gz SEYHZPVEKFOYDB-AQNXPRMDSA-N 1 0 486.636 3.420 20 0 JGADRO C[C@H]1C(=O)N(C)CCN1c1nnc(CCOc2ccccc2)n1CCC[N@H+](C)C1CCCCC1 ZINC001304913970 1067958273 /nfs/dbraw/zinc/95/82/73/1067958273.db2.gz VZDQIKAKLQANOX-NRFANRHFSA-N 1 0 468.646 3.221 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001304914253 1067958374 /nfs/dbraw/zinc/95/83/74/1067958374.db2.gz XYMGOQZCFFTKFP-OALUTQOASA-N 1 0 482.739 3.141 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[NH+]1CCOCC1 ZINC001303435715 1067958758 /nfs/dbraw/zinc/95/87/58/1067958758.db2.gz AVXDMSFUDWCGSB-UHFFFAOYSA-N 1 0 470.662 3.316 20 0 JGADRO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[NH+]2CCCC2)C1 ZINC001304919295 1067961561 /nfs/dbraw/zinc/96/15/61/1067961561.db2.gz PNUYFTUNTBOSSX-WOJBJXKFSA-N 1 0 474.675 3.164 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001304920795 1067962178 /nfs/dbraw/zinc/96/21/78/1067962178.db2.gz UIWZKGXVCFODOC-AQNXPRMDSA-N 1 0 476.691 3.259 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001303440972 1067963248 /nfs/dbraw/zinc/96/32/48/1067963248.db2.gz MDUGXCHEZBAKKN-FQEVSTJZSA-N 1 0 467.643 3.123 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[N@H+](C)C1CCCCC1 ZINC001303441385 1067963510 /nfs/dbraw/zinc/96/35/10/1067963510.db2.gz SAYYAOOEFGBJED-JOCHJYFZSA-N 1 0 470.618 3.016 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304922514 1067963543 /nfs/dbraw/zinc/96/35/43/1067963543.db2.gz ASVAJQFDWKICDZ-PLACYPQZSA-N 1 0 492.690 3.233 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304923218 1067964783 /nfs/dbraw/zinc/96/47/83/1067964783.db2.gz AJBPRVCMPSTZBC-KCZVDYSFSA-N 1 0 460.667 3.370 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923180 1067964839 /nfs/dbraw/zinc/96/48/39/1067964839.db2.gz BKCZOKBSYSBJDZ-ZCNNSNEGSA-N 1 0 478.645 3.403 20 0 JGADRO CC(C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923322 1067965172 /nfs/dbraw/zinc/96/51/72/1067965172.db2.gz BZIPBUKUUNYFIK-ZDXQCDESSA-N 1 0 481.689 3.118 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303444266 1067966141 /nfs/dbraw/zinc/96/61/41/1067966141.db2.gz RYLZIBQWKYMGDN-ACIOBRDBSA-N 1 0 468.646 3.391 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923982 1067966317 /nfs/dbraw/zinc/96/63/17/1067966317.db2.gz HZBCQNLGCNXLGO-XNTOXWQXSA-N 1 0 466.696 3.025 20 0 JGADRO CC(C)NC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001303445209 1067966413 /nfs/dbraw/zinc/96/64/13/1067966413.db2.gz ZNABBHRXRFOTDT-OALUTQOASA-N 1 0 458.582 3.146 20 0 JGADRO C[C@H](c1ccccc1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924178 1067966566 /nfs/dbraw/zinc/96/65/66/1067966566.db2.gz HXCIMFKFWQSCGC-JSXRDJHFSA-N 1 0 476.691 3.454 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001303446283 1067967121 /nfs/dbraw/zinc/96/71/21/1067967121.db2.gz CMDUMIQSIHPSQF-UHFFFAOYSA-N 1 0 475.435 3.297 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(CC3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001304924808 1067967760 /nfs/dbraw/zinc/96/77/60/1067967760.db2.gz JTZCWIFUZZASPE-VSKRKVRLSA-N 1 0 494.750 3.239 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(C3CCCC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304924692 1067967773 /nfs/dbraw/zinc/96/77/73/1067967773.db2.gz JPAONWIEANJFQV-SFHLNBCPSA-N 1 0 451.681 3.317 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC2CC2)C1 ZINC001304925261 1067968654 /nfs/dbraw/zinc/96/86/54/1067968654.db2.gz LTHWUKZYXXHYNF-SBHAEUEKSA-N 1 0 451.681 3.175 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC001304925589 1067969022 /nfs/dbraw/zinc/96/90/22/1067969022.db2.gz MJCCYORTTCWTNX-QHAWAJNXSA-N 1 0 499.708 3.157 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Cc3ccccc3F)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304925393 1067969139 /nfs/dbraw/zinc/96/91/39/1067969139.db2.gz CVMWHQPZTVRLNM-BGYRXZFFSA-N 1 0 470.637 3.468 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304925856 1067969409 /nfs/dbraw/zinc/96/94/09/1067969409.db2.gz PDROFUZBYOTISK-ZACQAIPSSA-N 1 0 494.482 3.114 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001304925964 1067969886 /nfs/dbraw/zinc/96/98/86/1067969886.db2.gz POOHOQVWDXTYDD-KZNAEPCWSA-N 1 0 460.026 3.028 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001304925958 1067969927 /nfs/dbraw/zinc/96/99/27/1067969927.db2.gz POOHOQVWDXTYDD-KSZLIROESA-N 1 0 460.026 3.028 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304926487 1067970426 /nfs/dbraw/zinc/97/04/26/1067970426.db2.gz PGFGBWCZHPKQMR-VAMGGRTRSA-N 1 0 498.738 3.040 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2nccs2)C1 ZINC001304926559 1067970666 /nfs/dbraw/zinc/97/06/66/1067970666.db2.gz SFEICJSWIQHFQA-RTBURBONSA-N 1 0 482.658 3.429 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2nccs2)C1 ZINC001304926557 1067970761 /nfs/dbraw/zinc/97/07/61/1067970761.db2.gz SFEICJSWIQHFQA-OALUTQOASA-N 1 0 482.658 3.429 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CCc3ccccc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304926669 1067971225 /nfs/dbraw/zinc/97/12/25/1067971225.db2.gz GTSBHBQRKYWBPN-FUPPJEDESA-N 1 0 473.687 3.055 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CC3CCCC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001304926703 1067971237 /nfs/dbraw/zinc/97/12/37/1067971237.db2.gz HAIZFOKPJBDEPK-OYRHEFFESA-N 1 0 494.750 3.239 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC001304927042 1067972383 /nfs/dbraw/zinc/97/23/83/1067972383.db2.gz HZVPGYJPWPORQX-YPAWHYETSA-N 1 0 457.667 3.337 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccsc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001304927237 1067972996 /nfs/dbraw/zinc/97/29/96/1067972996.db2.gz SYKUBCFWLFBLPQ-KHCICDEESA-N 1 0 458.676 3.390 20 0 JGADRO CC(C)NC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001303452982 1067973097 /nfs/dbraw/zinc/97/30/97/1067973097.db2.gz AQKGCNHRXMERJQ-UHFFFAOYSA-N 1 0 463.051 3.280 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304927403 1067973383 /nfs/dbraw/zinc/97/33/83/1067973383.db2.gz IYSIPOZKIMSPDF-ZRZAMGCNSA-N 1 0 481.689 3.327 20 0 JGADRO C[C@@H]1C[C@H](C)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001304927789 1067974280 /nfs/dbraw/zinc/97/42/80/1067974280.db2.gz SJURWVAMDQMYPY-HYFFOGBASA-N 1 0 462.689 3.189 20 0 JGADRO C[C@@H]1C[C@H](C)CN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001304927768 1067974290 /nfs/dbraw/zinc/97/42/90/1067974290.db2.gz SEKVFLMKHRZRQI-IYWMVGAKSA-N 1 0 474.675 3.251 20 0 JGADRO C[C@@H]1C[C@@H](C)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001304927788 1067974311 /nfs/dbraw/zinc/97/43/11/1067974311.db2.gz SJURWVAMDQMYPY-DRSNIGMVSA-N 1 0 462.689 3.189 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304928000 1067974762 /nfs/dbraw/zinc/97/47/62/1067974762.db2.gz LHRUGRJFBDNOEZ-OYRHEFFESA-N 1 0 475.641 3.367 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCSC3(CCOCC3)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304928115 1067975117 /nfs/dbraw/zinc/97/51/17/1067975117.db2.gz SLAUBTCWSWWKLM-NHCUHLMSSA-N 1 0 492.734 3.277 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCSC3(CCOCC3)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928116 1067975157 /nfs/dbraw/zinc/97/51/57/1067975157.db2.gz SLAUBTCWSWWKLM-OYRHEFFESA-N 1 0 492.734 3.277 20 0 JGADRO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304928399 1067976051 /nfs/dbraw/zinc/97/60/51/1067976051.db2.gz NOKNOPWBTKHNHA-VWPQPMDRSA-N 1 0 465.708 3.421 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001304928309 1067976243 /nfs/dbraw/zinc/97/62/43/1067976243.db2.gz ZOBFNGMNVKVVAB-NJDAHSKKSA-N 1 0 470.637 3.433 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001304928945 1067976954 /nfs/dbraw/zinc/97/69/54/1067976954.db2.gz SFJNQIVJYSUTDW-GXRSIYKFSA-N 1 0 460.667 3.239 20 0 JGADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928946 1067977061 /nfs/dbraw/zinc/97/70/61/1067977061.db2.gz SFJNQIVJYSUTDW-LNRXMEIDSA-N 1 0 460.667 3.239 20 0 JGADRO C[C@@H]1C[C@@H](c2ccccc2)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001304929223 1067977543 /nfs/dbraw/zinc/97/75/43/1067977543.db2.gz BAYPDZKBTXBAGR-HMXCVIKNSA-N 1 0 459.660 3.150 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304929672 1067978365 /nfs/dbraw/zinc/97/83/65/1067978365.db2.gz XYHKCJYJMRPRMJ-DNVJHFABSA-N 1 0 476.710 3.435 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3ccncc3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001304929929 1067978786 /nfs/dbraw/zinc/97/87/86/1067978786.db2.gz ZSYKRTAFKPQRGB-NHCUHLMSSA-N 1 0 470.662 3.467 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001303463523 1067982655 /nfs/dbraw/zinc/98/26/55/1067982655.db2.gz UOEBEOPPVUICCW-UHFFFAOYSA-N 1 0 490.454 3.397 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001303463529 1067982682 /nfs/dbraw/zinc/98/26/82/1067982682.db2.gz UXBNJKCNNSQPIZ-UYAOXDASSA-N 1 0 493.649 3.491 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001303464170 1067983031 /nfs/dbraw/zinc/98/30/31/1067983031.db2.gz AQIPUPKXQUGAMD-GOSISDBHSA-N 1 0 499.056 3.128 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001303463726 1067983077 /nfs/dbraw/zinc/98/30/77/1067983077.db2.gz XFHYRGKEMYPVTI-LJQANCHMSA-N 1 0 475.609 3.456 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 ZINC001303463812 1067983091 /nfs/dbraw/zinc/98/30/91/1067983091.db2.gz ZJZCDUBJGYUWMP-HOYKHHGWSA-N 1 0 461.582 3.330 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001303463650 1067983112 /nfs/dbraw/zinc/98/31/12/1067983112.db2.gz WNJRQVZOHIKCFD-JOCHJYFZSA-N 1 0 475.435 3.153 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001303464374 1067983504 /nfs/dbraw/zinc/98/35/04/1067983504.db2.gz AWXTVMQNWHTHFQ-KRWDZBQOSA-N 1 0 468.524 3.133 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 ZINC001303465904 1067985117 /nfs/dbraw/zinc/98/51/17/1067985117.db2.gz VQVNGARRAKIQFF-ZDUSSCGKSA-N 1 0 475.947 3.203 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCSC2)CC1 ZINC001303467685 1067986577 /nfs/dbraw/zinc/98/65/77/1067986577.db2.gz FCNKJPTYUPEAQR-KRWDZBQOSA-N 1 0 462.689 3.380 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CC2)CC1 ZINC001303468219 1067987700 /nfs/dbraw/zinc/98/77/00/1067987700.db2.gz XGYRYKSMGSFHNM-UHFFFAOYSA-N 1 0 464.408 3.111 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001304942258 1067993390 /nfs/dbraw/zinc/99/33/90/1067993390.db2.gz XBKGUGJPYRAKQZ-SJBKTWHCSA-N 1 0 484.670 3.443 20 0 JGADRO C[C@@H]1C[C@@H](N(C)c2nnc(-c3cccn3C)n2CCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304948834 1067999568 /nfs/dbraw/zinc/99/95/68/1067999568.db2.gz KLELOLNOJCDHPP-IRLDBZIGSA-N 1 0 463.630 3.251 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001304951940 1068000443 /nfs/dbraw/zinc/00/04/43/1068000443.db2.gz PGWOIBWBXUDDKE-UGKGYDQZSA-N 1 0 488.702 3.408 20 0 JGADRO C[C@@H]1C[C@@H](N(C)c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304953822 1068001514 /nfs/dbraw/zinc/00/15/14/1068001514.db2.gz SPLPBYDXNMEWLA-OFNKIYASSA-N 1 0 461.614 3.308 20 0 JGADRO C[C@@H]1C[C@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001304961858 1068005773 /nfs/dbraw/zinc/00/57/73/1068005773.db2.gz POBQPSOYBKCRJM-QRVBRYPASA-N 1 0 462.639 3.478 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001304968527 1068008963 /nfs/dbraw/zinc/00/89/63/1068008963.db2.gz DWGAFVKSFSZIFC-OBXNSHGQSA-N 1 0 489.690 3.215 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001303488406 1068012125 /nfs/dbraw/zinc/01/21/25/1068012125.db2.gz CZYVSIWEIRXJET-ZYRMUBPZSA-N 1 0 463.648 3.297 20 0 JGADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(C3CC3)n2CC(F)(F)Br)CC1 ZINC001304973126 1068013552 /nfs/dbraw/zinc/01/35/52/1068013552.db2.gz DVDNWTIPVOFNMS-GASCZTMLSA-N 1 0 461.399 3.138 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)CCOC1 ZINC001303490738 1068015875 /nfs/dbraw/zinc/01/58/75/1068015875.db2.gz QEQKMJUXFATPON-IMSXRSKXSA-N 1 0 451.656 3.441 20 0 JGADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(-c3ccccc3)n2CCN(C)CC(F)(F)F)CC1 ZINC001304977152 1068015883 /nfs/dbraw/zinc/01/58/83/1068015883.db2.gz QMVGORJABZVFCM-NHCUHLMSSA-N 1 0 493.622 3.434 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC(C)(C)C[NH+]2CCCC2)CCOC1 ZINC001303492075 1068017274 /nfs/dbraw/zinc/01/72/74/1068017274.db2.gz TUXYTKOZRIJFJV-CPJSRVTESA-N 1 0 463.667 3.444 20 0 JGADRO C[C@@H]1CCc2sc(-c3nnc(N(C)[C@@H]4CCS(=O)(=O)C4)n3CC(C)(C)C[NH+](C)C)cc2C1 ZINC001304980068 1068018742 /nfs/dbraw/zinc/01/87/42/1068018742.db2.gz CMTIMQFCVAGMMS-SJLPKXTDSA-N 1 0 479.716 3.343 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC(C)(C)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001303493294 1068018787 /nfs/dbraw/zinc/01/87/87/1068018787.db2.gz GWXVBMWQQHTPPG-SQJMNOBHSA-N 1 0 463.667 3.446 20 0 JGADRO CC1CCC([NH+]2CCN(c3nnc([C@H]4CCCO4)n3CCCCCS(C)(=O)=O)CC2)CC1 ZINC001304980162 1068019078 /nfs/dbraw/zinc/01/90/78/1068019078.db2.gz FRVFAGYIEQPRAV-XVAXZDLZSA-N 1 0 467.680 3.045 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC(C)(C)C(F)(F)F ZINC001304980656 1068019745 /nfs/dbraw/zinc/01/97/45/1068019745.db2.gz PQJGIUDVJHWPAA-CGZBRXJRSA-N 1 0 494.628 3.178 20 0 JGADRO CC1CCC([NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CCSCCCO)CC2)CC1 ZINC001304980674 1068019870 /nfs/dbraw/zinc/01/98/70/1068019870.db2.gz QLVCUSWFNZXRMJ-CBNMVNINSA-N 1 0 451.681 3.336 20 0 JGADRO CC1CCC(NC(=O)CN2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCC3)CC2)CC1 ZINC001304980903 1068020143 /nfs/dbraw/zinc/02/01/43/1068020143.db2.gz WDJFZBLLYLCNKS-UHFFFAOYSA-N 1 0 487.737 3.267 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001304980850 1068020434 /nfs/dbraw/zinc/02/04/34/1068020434.db2.gz KWEUCAWHBDGGCD-BRWVUGGUSA-N 1 0 479.716 3.483 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[NH+]2CCC(O)CC2)CCOC1 ZINC001303495878 1068022037 /nfs/dbraw/zinc/02/20/37/1068022037.db2.gz RTIHJENFCUOIMR-QFIPXVFZSA-N 1 0 488.460 3.065 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981790 1068022292 /nfs/dbraw/zinc/02/22/92/1068022292.db2.gz BGSIOAPMSVJRIS-VIPLHTEESA-N 1 0 494.628 3.178 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304981904 1068022321 /nfs/dbraw/zinc/02/23/21/1068022321.db2.gz BUUGAOHUYYTYAG-IDISGSTGSA-N 1 0 499.679 3.388 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCCOC(F)F)CCOC1 ZINC001303496340 1068022597 /nfs/dbraw/zinc/02/25/97/1068022597.db2.gz IDRAZLHOKKUZOU-XMSQKQJNSA-N 1 0 457.566 3.013 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(C(=O)Nc3ccccn3)nnc2N(CCO)Cc2ccccc2)([NH+](C)C)C1 ZINC001304982083 1068022850 /nfs/dbraw/zinc/02/28/50/1068022850.db2.gz CZQMIDFCWBBACA-JIPXPUAJSA-N 1 0 491.640 3.435 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)C2)([NH+](C)C)C1 ZINC001304982204 1068023146 /nfs/dbraw/zinc/02/31/46/1068023146.db2.gz FBRMIMDXAMWBPF-JLTOFOAXSA-N 1 0 481.464 3.216 20 0 JGADRO C[C@H]1CCC[C@](Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)C2)([NH+](C)C)C1 ZINC001304982207 1068023284 /nfs/dbraw/zinc/02/32/84/1068023284.db2.gz FBRMIMDXAMWBPF-XOBRGWDASA-N 1 0 481.464 3.216 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001304982461 1068023673 /nfs/dbraw/zinc/02/36/73/1068023673.db2.gz APGXOKREIDFAFD-NMMYMHLASA-N 1 0 482.739 3.143 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)([NH+](C)C)C1 ZINC001304983708 1068025774 /nfs/dbraw/zinc/02/57/74/1068025774.db2.gz FBQBJJXJXASGAV-FGSXEWAUSA-N 1 0 490.590 3.315 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304983848 1068025930 /nfs/dbraw/zinc/02/59/30/1068025930.db2.gz MWJVAKNGKCYUOD-RRQZXNHTSA-N 1 0 472.609 3.346 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304983847 1068025956 /nfs/dbraw/zinc/02/59/56/1068025956.db2.gz MWJVAKNGKCYUOD-MPCDZSKCSA-N 1 0 472.609 3.346 20 0 JGADRO 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CC1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001305104115 1068171942 /nfs/dbraw/zinc/17/19/42/1068171942.db2.gz SYMODTHFQBFOII-NHCUHLMSSA-N 1 0 476.666 3.255 20 0 JGADRO CC1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001305104519 1068172591 /nfs/dbraw/zinc/17/25/91/1068172591.db2.gz WJJXSIVHWBSWKE-UHFFFAOYSA-N 1 0 456.635 3.221 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001305105555 1068173577 /nfs/dbraw/zinc/17/35/77/1068173577.db2.gz CRFOZDCUWSPXGL-RBUKOAKNSA-N 1 0 475.037 3.470 20 0 JGADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cnccn2)n1CCC[NH+]1CCC(C)CC1 ZINC001305105694 1068173693 /nfs/dbraw/zinc/17/36/93/1068173693.db2.gz OWJQJNWVRPCUJG-HXUWFJFHSA-N 1 0 497.669 3.458 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001305106093 1068174107 /nfs/dbraw/zinc/17/41/07/1068174107.db2.gz BIHCESMQBGBSPN-VXKWHMMOSA-N 1 0 460.667 3.240 20 0 JGADRO O=C(CCc1cc(Br)c(Br)s1)N1CC([NH2+]C2CCOCC2)C1 ZINC001303647935 1068176263 /nfs/dbraw/zinc/17/62/63/1068176263.db2.gz ZNNITXHGDJNBFF-UHFFFAOYSA-N 1 0 452.212 3.185 20 0 JGADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCSC(F)(F)F)C2)CC1 ZINC001305107446 1068176277 /nfs/dbraw/zinc/17/62/77/1068176277.db2.gz JBYKOVIZMQEWKN-IAGOWNOFSA-N 1 0 474.597 3.431 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305108026 1068176800 /nfs/dbraw/zinc/17/68/00/1068176800.db2.gz LLJYOTLFXPSPIY-UHFFFAOYSA-N 1 0 487.615 3.003 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001305107876 1068176871 /nfs/dbraw/zinc/17/68/71/1068176871.db2.gz OYPGLSIELUCJQA-UHFFFAOYSA-N 1 0 453.635 3.307 20 0 JGADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1CC[NH+]1CCC(C)CC1 ZINC001305108642 1068178074 /nfs/dbraw/zinc/17/80/74/1068178074.db2.gz VXWQNCAMRDBWCW-TZIWHRDSSA-N 1 0 475.659 3.115 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001305109023 1068178456 /nfs/dbraw/zinc/17/84/56/1068178456.db2.gz YEJCOVLGMHBQJQ-IBGZPJMESA-N 1 0 457.623 3.451 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1Cc1ccc(Cl)nc1 ZINC001305110082 1068180734 /nfs/dbraw/zinc/18/07/34/1068180734.db2.gz VWFDIADAQHVIDQ-FQEVSTJZSA-N 1 0 474.053 3.461 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001305109995 1068180771 /nfs/dbraw/zinc/18/07/71/1068180771.db2.gz AWNXNOFJXXEMFJ-HKUYNNGSSA-N 1 0 452.525 3.152 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001305110464 1068181271 /nfs/dbraw/zinc/18/12/71/1068181271.db2.gz XTBHOLCAFYPLHD-QFIPXVFZSA-N 1 0 488.702 3.240 20 0 JGADRO CC1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001305110198 1068181283 /nfs/dbraw/zinc/18/12/83/1068181283.db2.gz FPRMDDDJVCTILT-UHFFFAOYSA-N 1 0 474.675 3.395 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001305110655 1068181781 /nfs/dbraw/zinc/18/17/81/1068181781.db2.gz NSWQMZNKIDQQSO-QFIPXVFZSA-N 1 0 481.689 3.375 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccncc3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001305110791 1068181823 /nfs/dbraw/zinc/18/18/23/1068181823.db2.gz OVHOYHNJTPWAEW-MGBGTMOVSA-N 1 0 466.655 3.370 20 0 JGADRO CC1CC[NH+](CCn2c(COc3ccc(Cl)cc3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001305110832 1068182393 /nfs/dbraw/zinc/18/23/93/1068182393.db2.gz QAJFFFSXEYYYHA-UHFFFAOYSA-N 1 0 477.053 3.011 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(Br)s3)nnc2N2CCOCC2)C[C@H](C)O1 ZINC001305111601 1068183623 /nfs/dbraw/zinc/18/36/23/1068183623.db2.gz BBWWSPLDCGTYFB-GASCZTMLSA-N 1 0 484.464 3.494 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001305111624 1068183637 /nfs/dbraw/zinc/18/36/37/1068183637.db2.gz BKMRWBNKIFPKQA-NJYVYQBISA-N 1 0 462.683 3.278 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3CCN(c4ncccc4F)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305111649 1068184131 /nfs/dbraw/zinc/18/41/31/1068184131.db2.gz FCBJNVYGHXCAKQ-KDURUIRLSA-N 1 0 473.641 3.324 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(CCCO)CC2)C[C@@H](C)O1 ZINC001305111729 1068184164 /nfs/dbraw/zinc/18/41/64/1068184164.db2.gz FYIYNUYQVIXMMM-KCZVDYSFSA-N 1 0 463.667 3.396 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC001305111883 1068184942 /nfs/dbraw/zinc/18/49/42/1068184942.db2.gz GUBIPESYLGPGBV-QZTJIDSGSA-N 1 0 450.672 3.105 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(C3CC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C[C@H](C)O1 ZINC001305112035 1068185187 /nfs/dbraw/zinc/18/51/87/1068185187.db2.gz DOBZIJMBMJFSQG-GJZGRUSLSA-N 1 0 469.556 3.432 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3C[C@H](C)O[C@]4(CCCOC4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112162 1068185327 /nfs/dbraw/zinc/18/53/27/1068185327.db2.gz JNUQXYBRYJQCTL-PBQROFAYSA-N 1 0 463.667 3.238 20 0 JGADRO CC1CC[NH+](CCn2c(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001305112259 1068186162 /nfs/dbraw/zinc/18/61/62/1068186162.db2.gz GELOZYJAAACGKF-UHFFFAOYSA-N 1 0 485.652 3.207 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@H](C)O1 ZINC001305112401 1068186842 /nfs/dbraw/zinc/18/68/42/1068186842.db2.gz LMOYLBHBOXJLOD-ROUUACIJSA-N 1 0 487.052 3.175 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001305112654 1068187299 /nfs/dbraw/zinc/18/72/99/1068187299.db2.gz NWODZKGJYWVKHF-QHAWAJNXSA-N 1 0 474.694 3.346 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001305113012 1068188554 /nfs/dbraw/zinc/18/85/54/1068188554.db2.gz MBCBALYWDDGQKL-VQTJNVASSA-N 1 0 462.639 3.307 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC001305113147 1068189548 /nfs/dbraw/zinc/18/95/48/1068189548.db2.gz MIVGZLQEOFPYDE-SFHLNBCPSA-N 1 0 482.673 3.442 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001305113625 1068190064 /nfs/dbraw/zinc/19/00/64/1068190064.db2.gz BKLFKQYXHGOWDI-OXQOHEQNSA-N 1 0 456.591 3.039 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N(C)Cc2cnccn2)C[C@H](C)O1 ZINC001305113700 1068190594 /nfs/dbraw/zinc/19/05/94/1068190594.db2.gz VXSXHQDDDTXGHP-SFTDATJTSA-N 1 0 463.630 3.378 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C[C@H](C)O1 ZINC001305113815 1068190711 /nfs/dbraw/zinc/19/07/11/1068190711.db2.gz QMQSHNJQDCFULD-QHAWAJNXSA-N 1 0 497.688 3.359 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCCC1 ZINC001305114649 1068192990 /nfs/dbraw/zinc/19/29/90/1068192990.db2.gz GLBRTLNOUTWLOM-INIZCTEOSA-N 1 0 475.435 3.249 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305115127 1068193247 /nfs/dbraw/zinc/19/32/47/1068193247.db2.gz WSAQHMWYGXERBB-FHWLQOOXSA-N 1 0 464.655 3.393 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305115287 1068194011 /nfs/dbraw/zinc/19/40/11/1068194011.db2.gz KEQLHUMQLMXPFH-APWZRJJASA-N 1 0 460.026 3.171 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001303663160 1068194498 /nfs/dbraw/zinc/19/44/98/1068194498.db2.gz LFFGKGZPENRQGZ-RTBURBONSA-N 1 0 464.618 3.300 20 0 JGADRO C[C@@H](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCCCC1 ZINC001303664269 1068196786 /nfs/dbraw/zinc/19/67/86/1068196786.db2.gz SYZHAMSXYJLACN-INIZCTEOSA-N 1 0 492.466 3.012 20 0 JGADRO C[C@H](CCn1c(-c2ccccc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303664452 1068197326 /nfs/dbraw/zinc/19/73/26/1068197326.db2.gz KTYIGYSCJLRUEK-FGZHOGPDSA-N 1 0 488.702 3.317 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[NH+]1CCOCC1 ZINC001305117780 1068198276 /nfs/dbraw/zinc/19/82/76/1068198276.db2.gz NPWDCCHACBQAOS-FQEVSTJZSA-N 1 0 468.646 3.022 20 0 JGADRO C[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303665104 1068198280 /nfs/dbraw/zinc/19/82/80/1068198280.db2.gz AMUHHIXTDBDOEE-SFTDATJTSA-N 1 0 460.667 3.449 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001303665153 1068198290 /nfs/dbraw/zinc/19/82/90/1068198290.db2.gz SHPYPJPYBQBBJO-XPNTWCBSSA-N 1 0 495.672 3.150 20 0 JGADRO C[C@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC001303665596 1068198937 /nfs/dbraw/zinc/19/89/37/1068198937.db2.gz DCECAUCSNVPWKK-MOPGFXCFSA-N 1 0 475.037 3.442 20 0 JGADRO C[C@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC001303665603 1068198976 /nfs/dbraw/zinc/19/89/76/1068198976.db2.gz DCECAUCSNVPWKK-RTBURBONSA-N 1 0 475.037 3.442 20 0 JGADRO C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303665799 1068199306 /nfs/dbraw/zinc/19/93/06/1068199306.db2.gz FZVAPFYAMNWKMB-WOJBJXKFSA-N 1 0 462.639 3.451 20 0 JGADRO C[C@@H](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303665878 1068199390 /nfs/dbraw/zinc/19/93/90/1068199390.db2.gz GSQIEGARRBZFGH-UGKGYDQZSA-N 1 0 493.649 3.274 20 0 JGADRO C[C@@H](CCn1c(-c2ccccc2Cl)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCCC1 ZINC001303666518 1068200446 /nfs/dbraw/zinc/20/04/46/1068200446.db2.gz YHTWYLCZVWMAKM-KRWDZBQOSA-N 1 0 452.024 3.098 20 0 JGADRO C[C@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCCC1 ZINC001303666556 1068200480 /nfs/dbraw/zinc/20/04/80/1068200480.db2.gz YOTZAMKLSLXVOL-HXUWFJFHSA-N 1 0 481.649 3.437 20 0 JGADRO C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)CCCO1 ZINC001305120006 1068201259 /nfs/dbraw/zinc/20/12/59/1068201259.db2.gz CMJWPWIWKIJYEM-KRWDZBQOSA-N 1 0 463.026 3.065 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303667025 1068201433 /nfs/dbraw/zinc/20/14/33/1068201433.db2.gz ONEAJLOJEFYTAK-CWKRKGSWSA-N 1 0 482.673 3.419 20 0 JGADRO C[C@H](CCn1c(N2CCN(C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667326 1068201867 /nfs/dbraw/zinc/20/18/67/1068201867.db2.gz QRXGQMSTEOQECV-DNQXCXABSA-N 1 0 498.716 3.402 20 0 JGADRO C[C@H](CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCCCC1 ZINC001303668592 1068202939 /nfs/dbraw/zinc/20/29/39/1068202939.db2.gz NXJMKLZNWYOXOE-KNQAVFIVSA-N 1 0 454.619 3.172 20 0 JGADRO C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC001303668794 1068203451 /nfs/dbraw/zinc/20/34/51/1068203451.db2.gz PWSDVBFHPFPJOE-QUCCMNQESA-N 1 0 463.623 3.220 20 0 JGADRO C[C@H](CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCCCC1 ZINC001303669318 1068203936 /nfs/dbraw/zinc/20/39/36/1068203936.db2.gz SPZIIEGNIMWTEC-HXUWFJFHSA-N 1 0 480.661 3.132 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(CSc2ccc(Cl)cc2)n1CCCC[NH+]1CCOCC1 ZINC001305121557 1068203951 /nfs/dbraw/zinc/20/39/51/1068203951.db2.gz JNZWYIOFEVSVCT-GOSISDBHSA-N 1 0 493.077 3.003 20 0 JGADRO C[C@H](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCCCC1 ZINC001303670386 1068204495 /nfs/dbraw/zinc/20/44/95/1068204495.db2.gz YMIORJSRZWHIJJ-MZNJEOGPSA-N 1 0 460.573 3.113 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001305122210 1068205522 /nfs/dbraw/zinc/20/55/22/1068205522.db2.gz MQBOWWFFKQAQNG-LPHOPBHVSA-N 1 0 472.590 3.028 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001303672233 1068207520 /nfs/dbraw/zinc/20/75/20/1068207520.db2.gz OXCOUZZRSZSURK-WOJBJXKFSA-N 1 0 484.649 3.303 20 0 JGADRO C[C@@H](CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC001303672884 1068209013 /nfs/dbraw/zinc/20/90/13/1068209013.db2.gz FQIQMYKNWSZOEP-BTYIYWSLSA-N 1 0 491.459 3.471 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001305124411 1068210268 /nfs/dbraw/zinc/21/02/68/1068210268.db2.gz ZKKZYRAAQOVLRT-BGYRXZFFSA-N 1 0 463.586 3.061 20 0 JGADRO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001305125427 1068212085 /nfs/dbraw/zinc/21/20/85/1068212085.db2.gz WUDSUXQKLBFLHK-MOPGFXCFSA-N 1 0 455.607 3.050 20 0 JGADRO C[C@@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCCC1)c1nccs1 ZINC001303675854 1068214476 /nfs/dbraw/zinc/21/44/76/1068214476.db2.gz UQOSLVKIWGLNNK-KRWDZBQOSA-N 1 0 454.604 3.108 20 0 JGADRO C[C@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1([NH+](C)C)CCSC1)c1nccs1 ZINC001303676536 1068215660 /nfs/dbraw/zinc/21/56/60/1068215660.db2.gz ZBAKUKHPXCGPOV-ZHRRBRCNSA-N 1 0 486.671 3.059 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001305131135 1068216001 /nfs/dbraw/zinc/21/60/01/1068216001.db2.gz AGFSHIBJGUICSF-ZWKOTPCHSA-N 1 0 454.685 3.025 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001303678526 1068216752 /nfs/dbraw/zinc/21/67/52/1068216752.db2.gz MDFKYHCSGNGODG-QGZVFWFLSA-N 1 0 480.642 3.229 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCC[NH+]2CCOCC2)CC(C)(C)O1 ZINC001305132226 1068217770 /nfs/dbraw/zinc/21/77/70/1068217770.db2.gz HOUGCODWZBIVEP-KRWDZBQOSA-N 1 0 495.466 3.162 20 0 JGADRO C[C@H](CN(C)c1nnc([C@H]2CCCOC2)n1CC1CC[NH+](CCN(C)C)CC1)c1nccs1 ZINC001303682761 1068219578 /nfs/dbraw/zinc/21/95/78/1068219578.db2.gz GBZJRKBEHIMGOK-CTNGQTDRSA-N 1 0 475.707 3.142 20 0 JGADRO C[C@@H](CN(C)c1nnc([C@@H]2CCCOC2)n1CC1CC[NH+](CCN(C)C)CC1)c1nccs1 ZINC001303682763 1068219674 /nfs/dbraw/zinc/21/96/74/1068219674.db2.gz GBZJRKBEHIMGOK-PZJWPPBQSA-N 1 0 475.707 3.142 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CC=CCC2)CCS1 ZINC001305133586 1068220113 /nfs/dbraw/zinc/22/01/13/1068220113.db2.gz OYFXWSBFCKZRJO-OAHLLOKOSA-N 1 0 451.438 3.250 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCC(=O)N(C)C ZINC001305134000 1068221165 /nfs/dbraw/zinc/22/11/65/1068221165.db2.gz OAXHNXYTJZCVJL-RBUKOAKNSA-N 1 0 472.609 3.346 20 0 JGADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1Br)[N@H+](C)C1CC1 ZINC001303683721 1068221499 /nfs/dbraw/zinc/22/14/99/1068221499.db2.gz DPZMGDBGXZNCBA-INIZCTEOSA-N 1 0 475.435 3.396 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCCO[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305134970 1068222742 /nfs/dbraw/zinc/22/27/42/1068222742.db2.gz GSZKIVTYRDCZFP-OALUTQOASA-N 1 0 461.582 3.019 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1)[NH+](C)C ZINC001303685156 1068223145 /nfs/dbraw/zinc/22/31/45/1068223145.db2.gz OHJCMVDAHYNORK-SJORKVTESA-N 1 0 469.977 3.187 20 0 JGADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC001303687377 1068225216 /nfs/dbraw/zinc/22/52/16/1068225216.db2.gz JZGOYPRXZWATKY-MSOLQXFVSA-N 1 0 480.654 3.142 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001305137325 1068228297 /nfs/dbraw/zinc/22/82/97/1068228297.db2.gz LTGHQEQFWLHKFJ-KHCICDEESA-N 1 0 461.582 3.282 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC001305137676 1068228945 /nfs/dbraw/zinc/22/89/45/1068228945.db2.gz NKMLQBZIRKOKIM-INIZCTEOSA-N 1 0 492.466 3.215 20 0 JGADRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001303689363 1068229018 /nfs/dbraw/zinc/22/90/18/1068229018.db2.gz SGQXCSUGFHNTPY-QFBILLFUSA-N 1 0 463.026 3.063 20 0 JGADRO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1F ZINC001303690308 1068229962 /nfs/dbraw/zinc/22/99/62/1068229962.db2.gz YNWUFYFQRNBMKO-FCHUYYIVSA-N 1 0 488.652 3.239 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(C1)CCCOC2)[NH+](C)C ZINC001303691758 1068231640 /nfs/dbraw/zinc/23/16/40/1068231640.db2.gz IUMJMROCTZQZGC-QRWLVFNGSA-N 1 0 451.413 3.003 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[N@H+](C)C1CC1 ZINC001303691625 1068231781 /nfs/dbraw/zinc/23/17/81/1068231781.db2.gz GIQKGYFUHMTDSN-ZWKOTPCHSA-N 1 0 495.093 3.189 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCC2(CC1)OCCO2)[NH+](C)C ZINC001303692216 1068233302 /nfs/dbraw/zinc/23/33/02/1068233302.db2.gz SFZJFJZWDGLCFV-HNNXBMFYSA-N 1 0 481.439 3.118 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001303692582 1068234663 /nfs/dbraw/zinc/23/46/63/1068234663.db2.gz ZOEXEGXLRYZMPU-KRWDZBQOSA-N 1 0 489.462 3.497 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001303693032 1068235298 /nfs/dbraw/zinc/23/52/98/1068235298.db2.gz BKCPFOXPZMRJAZ-VQTJNVASSA-N 1 0 488.080 3.072 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](Cn2cccn2)C1)[NH+](C)C ZINC001303693766 1068236420 /nfs/dbraw/zinc/23/64/20/1068236420.db2.gz JLHACIVEBJPXGO-NVXWUHKLSA-N 1 0 464.401 3.304 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1)[NH+](C)C ZINC001303693570 1068236538 /nfs/dbraw/zinc/23/65/38/1068236538.db2.gz IIZIMOYDCOQTFW-HNNXBMFYSA-N 1 0 489.958 3.184 20 0 JGADRO C[C@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303694990 1068237806 /nfs/dbraw/zinc/23/78/06/1068237806.db2.gz QUVNESUSKDLLPO-NQIIRXRSSA-N 1 0 487.626 3.081 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1)[N@H+](C)C1CC1 ZINC001303695730 1068238397 /nfs/dbraw/zinc/23/83/97/1068238397.db2.gz JODHAMGCYXGRKX-CHWSQXEVSA-N 1 0 481.826 3.155 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303696211 1068239626 /nfs/dbraw/zinc/23/96/26/1068239626.db2.gz MSTALUPFWBSDPG-KGLIPLIRSA-N 1 0 481.464 3.214 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCCCCC1)[N@H+](C)C1CC1 ZINC001303697614 1068240891 /nfs/dbraw/zinc/24/08/91/1068240891.db2.gz YTLHEEKPGFQDRX-IBGZPJMESA-N 1 0 474.675 3.449 20 0 JGADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303698696 1068241359 /nfs/dbraw/zinc/24/13/59/1068241359.db2.gz FGVAZBIBEXUKDS-HUUCEWRRSA-N 1 0 493.425 3.292 20 0 JGADRO C[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[NH+](C)C ZINC001303697916 1068241401 /nfs/dbraw/zinc/24/14/01/1068241401.db2.gz ARBBAZVIADFIPL-GOSISDBHSA-N 1 0 464.618 3.074 20 0 JGADRO CC(C)N(Cc1cccs1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)[NH+](C)C ZINC001303698709 1068241860 /nfs/dbraw/zinc/24/18/60/1068241860.db2.gz FTIOLMIWVHEBDG-QGZVFWFLSA-N 1 0 451.604 3.347 20 0 JGADRO CC(C)N(Cc1cccs1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)[NH+](C)C ZINC001303698708 1068241889 /nfs/dbraw/zinc/24/18/89/1068241889.db2.gz FTIOLMIWVHEBDG-KRWDZBQOSA-N 1 0 451.604 3.347 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[NH+]2CCCC2)C[C@H](C)S1 ZINC001305144574 1068244353 /nfs/dbraw/zinc/24/43/53/1068244353.db2.gz QBWSAEAPIYPMLR-KDURUIRLSA-N 1 0 492.715 3.012 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[NH+]2CCCC2)C[C@@H](C)S1 ZINC001305144576 1068244473 /nfs/dbraw/zinc/24/44/73/1068244473.db2.gz QBWSAEAPIYPMLR-RTBURBONSA-N 1 0 492.715 3.012 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001305145227 1068245879 /nfs/dbraw/zinc/24/58/79/1068245879.db2.gz FLCHWAHJLLGUBO-IEGUWTFLSA-N 1 0 463.026 3.497 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001303703074 1068247084 /nfs/dbraw/zinc/24/70/84/1068247084.db2.gz KAPNLDYNXQLJNW-QYZOEREBSA-N 1 0 457.623 3.212 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303703820 1068248790 /nfs/dbraw/zinc/24/87/90/1068248790.db2.gz VPPZAJTWLNYOMQ-OAQYLSRUSA-N 1 0 477.657 3.499 20 0 JGADRO CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001305147524 1068249883 /nfs/dbraw/zinc/24/98/83/1068249883.db2.gz HVIUDLMXSSGJTI-SFHVURJKSA-N 1 0 495.093 3.237 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCS1 ZINC001305148488 1068251627 /nfs/dbraw/zinc/25/16/27/1068251627.db2.gz YVUOPTQHTWKLAZ-WMZOPIPTSA-N 1 0 451.040 3.172 20 0 JGADRO CC(C)n1nc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303707214 1068252346 /nfs/dbraw/zinc/25/23/46/1068252346.db2.gz GUJHVCCGOULSGS-IRXDYDNUSA-N 1 0 455.632 3.128 20 0 JGADRO C[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCOC(C)(C)C)[N@H+](C)C1CC1 ZINC001303709263 1068255213 /nfs/dbraw/zinc/25/52/13/1068255213.db2.gz SLMUBDANZDIABB-INIZCTEOSA-N 1 0 453.591 3.328 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC001303709709 1068256173 /nfs/dbraw/zinc/25/61/73/1068256173.db2.gz WRYJAJDXJYXUIB-DNVCBOLYSA-N 1 0 461.492 3.282 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1)[N@H+](C)Cc1ccccc1 ZINC001303709673 1068256228 /nfs/dbraw/zinc/25/62/28/1068256228.db2.gz YRRXQUIJHFLZCM-IBGZPJMESA-N 1 0 467.618 3.034 20 0 JGADRO C[C@@H](Cn1c(C2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001303712986 1068258295 /nfs/dbraw/zinc/25/82/95/1068258295.db2.gz NXWIAWVURFEKKX-SIKLNZKXSA-N 1 0 484.645 3.406 20 0 JGADRO C[C@H](Cn1c(C2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001303712984 1068258331 /nfs/dbraw/zinc/25/83/31/1068258331.db2.gz NXWIAWVURFEKKX-DENIHFKCSA-N 1 0 484.645 3.406 20 0 JGADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303713846 1068259418 /nfs/dbraw/zinc/25/94/18/1068259418.db2.gz REJDJRZQWWDKNP-VQTJNVASSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(O)CC2)CCN1CC(F)(F)F ZINC001305152822 1068259995 /nfs/dbraw/zinc/25/99/95/1068259995.db2.gz VISCEIVBNBRBEO-QGZVFWFLSA-N 1 0 484.542 3.004 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCSCC2)C[C@@H](C(F)(F)F)O1 ZINC001305152814 1068260035 /nfs/dbraw/zinc/26/00/35/1068260035.db2.gz VESUJOTUJHRVFP-YOEHRIQHSA-N 1 0 459.513 3.289 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303715113 1068260890 /nfs/dbraw/zinc/26/08/90/1068260890.db2.gz AHOIYFILPXKFHK-NJDAHSKKSA-N 1 0 476.666 3.350 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001305153194 1068260993 /nfs/dbraw/zinc/26/09/93/1068260993.db2.gz XZCJBWBZCBRXBW-UGKGYDQZSA-N 1 0 461.054 3.486 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)[N@H+](C)C1CC1 ZINC001303715598 1068262419 /nfs/dbraw/zinc/26/24/19/1068262419.db2.gz AESSBNGAGAOCFD-ZWKOTPCHSA-N 1 0 464.680 3.429 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001303717155 1068265019 /nfs/dbraw/zinc/26/50/19/1068265019.db2.gz JGJGPUKFAODQIP-ICSRJNTNSA-N 1 0 494.681 3.178 20 0 JGADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001303717206 1068265156 /nfs/dbraw/zinc/26/51/56/1068265156.db2.gz LACAVTSPEPDJBG-IBGZPJMESA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001303717154 1068265176 /nfs/dbraw/zinc/26/51/76/1068265176.db2.gz JGJGPUKFAODQIP-AZUAARDMSA-N 1 0 494.681 3.178 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305159917 1068268675 /nfs/dbraw/zinc/26/86/75/1068268675.db2.gz GSQJLLBOVCQERK-RTBURBONSA-N 1 0 459.639 3.363 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001303721830 1068271239 /nfs/dbraw/zinc/27/12/39/1068271239.db2.gz IEPYOLJLCDYVQT-TZIWHRDSSA-N 1 0 459.660 3.295 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001303723160 1068273150 /nfs/dbraw/zinc/27/31/50/1068273150.db2.gz FUGZYXZYBGDKEC-IKGGRYGDSA-N 1 0 490.571 3.315 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001303723161 1068273371 /nfs/dbraw/zinc/27/33/71/1068273371.db2.gz FUGZYXZYBGDKEC-IXDOHACOSA-N 1 0 490.571 3.315 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305164626 1068274207 /nfs/dbraw/zinc/27/42/07/1068274207.db2.gz IOIOVPDXCMEUDT-SFHLNBCPSA-N 1 0 484.649 3.205 20 0 JGADRO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001303724078 1068274988 /nfs/dbraw/zinc/27/49/88/1068274988.db2.gz WQISOVVXUJNJII-IRLDBZIGSA-N 1 0 489.686 3.204 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC(C)(C)C1 ZINC001305167554 1068278857 /nfs/dbraw/zinc/27/88/57/1068278857.db2.gz BFQALZJEXAYKAX-KNQAVFIVSA-N 1 0 468.646 3.285 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303728246 1068282231 /nfs/dbraw/zinc/28/22/31/1068282231.db2.gz KRPWVBUEFYOANQ-VQTJNVASSA-N 1 0 483.661 3.440 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305170823 1068282789 /nfs/dbraw/zinc/28/27/89/1068282789.db2.gz AFFUOEJZRMBYNN-QYZOEREBSA-N 1 0 462.639 3.353 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305170821 1068282840 /nfs/dbraw/zinc/28/28/40/1068282840.db2.gz AFFUOEJZRMBYNN-QRVBRYPASA-N 1 0 462.639 3.353 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)c1cccc(N2CCOC2=O)c1)[NH+](C)C ZINC001303728901 1068283905 /nfs/dbraw/zinc/28/39/05/1068283905.db2.gz WNYDARLABZIMLA-RTBURBONSA-N 1 0 463.586 3.368 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303728835 1068284111 /nfs/dbraw/zinc/28/41/11/1068284111.db2.gz VMMWDALOVXSXMQ-YLJYHZDGSA-N 1 0 460.598 3.452 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303730318 1068285383 /nfs/dbraw/zinc/28/53/83/1068285383.db2.gz ASYNIGUDDOPQFE-FQEVSTJZSA-N 1 0 487.574 3.469 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1)C(C)C ZINC001305174998 1068287352 /nfs/dbraw/zinc/28/73/52/1068287352.db2.gz LCBOWHOJVVWGRD-BAGYTPMASA-N 1 0 454.619 3.314 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1)[NH+](C)C ZINC001303731760 1068287439 /nfs/dbraw/zinc/28/74/39/1068287439.db2.gz PMHRCVZDFZFVPF-UWJYYQICSA-N 1 0 472.540 3.393 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001303732752 1068288221 /nfs/dbraw/zinc/28/82/21/1068288221.db2.gz WWRHPSARNBZBJY-CTNGQTDRSA-N 1 0 469.634 3.194 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001305176011 1068288489 /nfs/dbraw/zinc/28/84/89/1068288489.db2.gz QYEZLSBAXNVTCO-KOSHJBKYSA-N 1 0 494.706 3.055 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCCCC2)CCN1CC(F)(F)F ZINC001305176931 1068290008 /nfs/dbraw/zinc/29/00/08/1068290008.db2.gz CNSWVRIKSRNVIC-RBUKOAKNSA-N 1 0 458.573 3.469 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC001305177610 1068291616 /nfs/dbraw/zinc/29/16/16/1068291616.db2.gz XXRABANSWWKYRH-KCZVDYSFSA-N 1 0 457.619 3.165 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2nccs2)CC1 ZINC001303735403 1068292454 /nfs/dbraw/zinc/29/24/54/1068292454.db2.gz DRIGABGEQDTJFT-GOSISDBHSA-N 1 0 459.664 3.217 20 0 JGADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1)[NH+](C)C ZINC001303735678 1068293468 /nfs/dbraw/zinc/29/34/68/1068293468.db2.gz GJZZLZAGCBBAOS-QFBILLFUSA-N 1 0 489.045 3.451 20 0 JGADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001303736404 1068294534 /nfs/dbraw/zinc/29/45/34/1068294534.db2.gz IUKZZWHMXDZQEE-INMHGKMJSA-N 1 0 481.428 3.076 20 0 JGADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)s1)[N@H+](C)C1CC1 ZINC001303736668 1068295212 /nfs/dbraw/zinc/29/52/12/1068295212.db2.gz NCKLUMNANNVOPS-AWEZNQCLSA-N 1 0 481.464 3.344 20 0 JGADRO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)C1CC1 ZINC001303737106 1068295319 /nfs/dbraw/zinc/29/53/19/1068295319.db2.gz NGRCRVYWUKZDKW-QAPCUYQASA-N 1 0 484.091 3.330 20 0 JGADRO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303737114 1068295817 /nfs/dbraw/zinc/29/58/17/1068295817.db2.gz NIRKZGPATPXZBB-ROUUACIJSA-N 1 0 476.597 3.297 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305180116 1068296371 /nfs/dbraw/zinc/29/63/71/1068296371.db2.gz POLJIZTWJCAJPH-QYZOEREBSA-N 1 0 474.606 3.124 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCCO1 ZINC001305180366 1068296475 /nfs/dbraw/zinc/29/64/75/1068296475.db2.gz REEYTBNOICKOMJ-RTWAWAEBSA-N 1 0 494.681 3.372 20 0 JGADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001303738304 1068297029 /nfs/dbraw/zinc/29/70/29/1068297029.db2.gz XDYKNHZWAVHAQH-HUUCEWRRSA-N 1 0 452.575 3.234 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001303738360 1068297589 /nfs/dbraw/zinc/29/75/89/1068297589.db2.gz SWTUZMWYYLRVMJ-DOTOQJQBSA-N 1 0 481.428 3.315 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001303738364 1068297616 /nfs/dbraw/zinc/29/76/16/1068297616.db2.gz SWTUZMWYYLRVMJ-RDJZCZTQSA-N 1 0 481.428 3.315 20 0 JGADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+](C)C ZINC001303739299 1068299381 /nfs/dbraw/zinc/29/93/81/1068299381.db2.gz YIDNCLIGHQWPAP-CVEARBPZSA-N 1 0 458.504 3.019 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[N@H+](C)Cc2ccccc2)CCN1CC(F)(F)F ZINC001305182688 1068299647 /nfs/dbraw/zinc/29/96/47/1068299647.db2.gz LLBPAOWXRMFJEH-FPOVZHCZSA-N 1 0 480.579 3.377 20 0 JGADRO C[C@H](Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739729 1068299936 /nfs/dbraw/zinc/29/99/36/1068299936.db2.gz VRELXYKLVODNBP-NQIIRXRSSA-N 1 0 456.610 3.261 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C(F)(F)F)O1 ZINC001305182638 1068300191 /nfs/dbraw/zinc/30/01/91/1068300191.db2.gz ZHDSWKAOFAQAFY-SLYNCCJLSA-N 1 0 497.562 3.121 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001303742747 1068301482 /nfs/dbraw/zinc/30/14/82/1068301482.db2.gz DZKHLNMSLJGTNM-HKUYNNGSSA-N 1 0 480.654 3.136 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001303742801 1068301587 /nfs/dbraw/zinc/30/15/87/1068301587.db2.gz GLXLYAUKOOCRNI-OWCLPIDISA-N 1 0 476.544 3.068 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(C)C ZINC001305184236 1068302171 /nfs/dbraw/zinc/30/21/71/1068302171.db2.gz UBMUQTFNOSVTLT-WOJBJXKFSA-N 1 0 464.655 3.346 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303743639 1068303159 /nfs/dbraw/zinc/30/31/59/1068303159.db2.gz CAFICMRFWBAYAI-SFHVURJKSA-N 1 0 468.543 3.424 20 0 JGADRO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)CC1)C[NH+]1CCCC1 ZINC001303744219 1068303991 /nfs/dbraw/zinc/30/39/91/1068303991.db2.gz BZIHHXIUTGTFNR-ROUUACIJSA-N 1 0 461.010 3.130 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001303744236 1068304075 /nfs/dbraw/zinc/30/40/75/1068304075.db2.gz 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C[C@H](Cn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305225625 1068369767 /nfs/dbraw/zinc/36/97/67/1068369767.db2.gz VPCJFVOXZIMCLP-NJYVYQBISA-N 1 0 484.645 3.486 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOCCCO ZINC001305226360 1068370674 /nfs/dbraw/zinc/37/06/74/1068370674.db2.gz YUKSEWNFOZIOKC-IRLDBZIGSA-N 1 0 471.646 3.227 20 0 JGADRO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C(C)C)cc(C(C)C)nc21 ZINC001305226530 1068370827 /nfs/dbraw/zinc/37/08/27/1068370827.db2.gz SJWUJZOSLKXBPW-XLIONFOSSA-N 1 0 455.603 3.365 20 0 JGADRO C[C@H](N1CCN(c2nnc(CC3CCCC3)n2CC2([NH+](C)C)CCOCC2)CC1)C(F)(F)F ZINC001303792567 1068376732 /nfs/dbraw/zinc/37/67/32/1068376732.db2.gz ICVGRXRQQUGGMH-SFHVURJKSA-N 1 0 472.600 3.194 20 0 JGADRO C[C@H](N1CCN(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCC2)CC1)C(F)(F)F ZINC001303792872 1068376875 /nfs/dbraw/zinc/37/68/75/1068376875.db2.gz MHZINXPELBOCPD-IBGZPJMESA-N 1 0 480.579 3.457 20 0 JGADRO C[C@@H](N1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303793841 1068379301 /nfs/dbraw/zinc/37/93/01/1068379301.db2.gz ZXDHVARULZJDHL-LJQANCHMSA-N 1 0 479.595 3.459 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001303796692 1068385527 /nfs/dbraw/zinc/38/55/27/1068385527.db2.gz IKHHIQOTHMIZNS-RTBURBONSA-N 1 0 470.643 3.339 20 0 JGADRO C[C@H]1CSCCN1c1nnc(CCOc2ccccc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305237223 1068386928 /nfs/dbraw/zinc/38/69/28/1068386928.db2.gz DEVJTYGGIACUQP-NRFANRHFSA-N 1 0 472.703 3.115 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001303800272 1068393803 /nfs/dbraw/zinc/39/38/03/1068393803.db2.gz WPNMTXXHKSXXBY-PKOBYXMFSA-N 1 0 456.616 3.026 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001303800587 1068395222 /nfs/dbraw/zinc/39/52/22/1068395222.db2.gz ZFUVOMDWGNOVOP-MSOLQXFVSA-N 1 0 472.638 3.062 20 0 JGADRO C[C@H]1N(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCOCC2)CCOC1(C)C ZINC001305244570 1068397205 /nfs/dbraw/zinc/39/72/05/1068397205.db2.gz VAKMBEJVKQSKRH-GOSISDBHSA-N 1 0 461.582 3.111 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1)c1ccccc1 ZINC001303802804 1068399223 /nfs/dbraw/zinc/39/92/23/1068399223.db2.gz DJXBGJKBECFCNQ-PKOBYXMFSA-N 1 0 488.683 3.403 20 0 JGADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1F)[NH+]1CCCCC1 ZINC001303802785 1068399292 /nfs/dbraw/zinc/39/92/92/1068399292.db2.gz DECUIELZEWBRBI-CEXWTWQISA-N 1 0 480.654 3.489 20 0 JGADRO C[C@@H]1N(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCOC1(C)C ZINC001305246415 1068400006 /nfs/dbraw/zinc/40/00/06/1068400006.db2.gz YIHBGUZDFKBOMA-UNMCSNQZSA-N 1 0 471.646 3.359 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 ZINC001303802969 1068400478 /nfs/dbraw/zinc/40/04/78/1068400478.db2.gz GOFWHTBUUVTJKK-VQTJNVASSA-N 1 0 461.614 3.060 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303803768 1068403311 /nfs/dbraw/zinc/40/33/11/1068403311.db2.gz OXYXJPVUKZAGAE-ZWOKBUDYSA-N 1 0 480.654 3.345 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOCC1)c1ccccc1 ZINC001303804119 1068403841 /nfs/dbraw/zinc/40/38/41/1068403841.db2.gz RFGJFOOGTXFKEP-GOSISDBHSA-N 1 0 468.627 3.236 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 ZINC001303804146 1068403879 /nfs/dbraw/zinc/40/38/79/1068403879.db2.gz ROUKXSXULJLMQR-UXHICEINSA-N 1 0 461.614 3.060 20 0 JGADRO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001303804397 1068405082 /nfs/dbraw/zinc/40/50/82/1068405082.db2.gz TXAIERSLRCKWAZ-LZLYRXPVSA-N 1 0 466.677 3.164 20 0 JGADRO C[C@@H]1OCC[C@@]1(O)Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305249560 1068407228 /nfs/dbraw/zinc/40/72/28/1068407228.db2.gz KDJHOKUDXVZTNU-HFZDXXHNSA-N 1 0 455.647 3.304 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001303805238 1068408036 /nfs/dbraw/zinc/40/80/36/1068408036.db2.gz YFCLCBJXDYWNGY-JQHSSLGASA-N 1 0 480.535 3.126 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CCN1CCOCC1)c1ccccc1 ZINC001303805852 1068410161 /nfs/dbraw/zinc/41/01/61/1068410161.db2.gz ZMXKKUPTIMNKJD-JTHBVZDNSA-N 1 0 470.662 3.418 20 0 JGADRO C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1C ZINC001305254927 1068417383 /nfs/dbraw/zinc/41/73/83/1068417383.db2.gz MVFMVKNGUDLQAH-HZPDHXFCSA-N 1 0 496.523 3.392 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303810523 1068418791 /nfs/dbraw/zinc/41/87/91/1068418791.db2.gz SYQXGQCNQIFGON-IERDGZPVSA-N 1 0 498.644 3.313 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303810525 1068418853 /nfs/dbraw/zinc/41/88/53/1068418853.db2.gz SYQXGQCNQIFGON-KKSFZXQISA-N 1 0 498.644 3.313 20 0 JGADRO C[C@H]1SCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001305258024 1068422508 /nfs/dbraw/zinc/42/25/08/1068422508.db2.gz SMCHCURKKCDJFO-IAGOWNOFSA-N 1 0 451.040 3.436 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCCCC[NH+]2CCCC2)C1 ZINC001305260784 1068428024 /nfs/dbraw/zinc/42/80/24/1068428024.db2.gz AAEHVRNZJIKVMO-NRFANRHFSA-N 1 0 453.635 3.410 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccsc2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303816603 1068428949 /nfs/dbraw/zinc/42/89/49/1068428949.db2.gz VHJWQMPJIGWHPN-GHTZIAJQSA-N 1 0 488.683 3.251 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001305261539 1068430708 /nfs/dbraw/zinc/43/07/08/1068430708.db2.gz BGQDOSJXNHLZBK-FQEVSTJZSA-N 1 0 453.635 3.408 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001305262422 1068431389 /nfs/dbraw/zinc/43/13/89/1068431389.db2.gz BJQKKLRGSFIUSO-KRWDZBQOSA-N 1 0 494.482 3.129 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303818264 1068432146 /nfs/dbraw/zinc/43/21/46/1068432146.db2.gz ATBIIVAAMYLFPT-UTKZUKDTSA-N 1 0 492.665 3.317 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001305262771 1068435990 /nfs/dbraw/zinc/43/59/90/1068435990.db2.gz DMHRDTQVRQMZNA-JOCHJYFZSA-N 1 0 468.646 3.127 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2c(F)cccc2F)C2CC2)n1CC[NH+]1CCCCCC1 ZINC001303820244 1068436165 /nfs/dbraw/zinc/43/61/65/1068436165.db2.gz MHDPCPHCTNXRQH-KRWDZBQOSA-N 1 0 496.628 3.212 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001305264074 1068440423 /nfs/dbraw/zinc/44/04/23/1068440423.db2.gz JYVDGXNWSLRJDP-OAQYLSRUSA-N 1 0 488.080 3.120 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001305265704 1068446598 /nfs/dbraw/zinc/44/65/98/1068446598.db2.gz IBEHIEQRNFNMFH-LEWJYISDSA-N 1 0 454.619 3.002 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001305265710 1068446699 /nfs/dbraw/zinc/44/66/99/1068446699.db2.gz IBEHIEQRNFNMFH-RTWAWAEBSA-N 1 0 454.619 3.002 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303827776 1068447618 /nfs/dbraw/zinc/44/76/18/1068447618.db2.gz JQLOZINDUIWLNZ-CMKODMSKSA-N 1 0 468.712 3.271 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC2)C1 ZINC001305266561 1068450184 /nfs/dbraw/zinc/45/01/84/1068450184.db2.gz OPNYUVKIILEZQZ-JOCHJYFZSA-N 1 0 481.645 3.128 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305266528 1068450204 /nfs/dbraw/zinc/45/02/04/1068450204.db2.gz LENCYIIQBCJCNW-IFMALSPDSA-N 1 0 467.662 3.269 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001303829083 1068451564 /nfs/dbraw/zinc/45/15/64/1068451564.db2.gz XYYDLVGXWRILES-BVKOHWRASA-N 1 0 492.665 3.345 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001303829090 1068451580 /nfs/dbraw/zinc/45/15/80/1068451580.db2.gz XYYDLVGXWRILES-ZBWQPJPKSA-N 1 0 492.665 3.345 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001303829965 1068453342 /nfs/dbraw/zinc/45/33/42/1068453342.db2.gz GCFBOPCEZJLVPQ-MXNKGDRCSA-N 1 0 492.665 3.127 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3F)n2CC[N@H+](C)C2CCCC2)C1 ZINC001305268515 1068457927 /nfs/dbraw/zinc/45/79/27/1068457927.db2.gz NGLCBDBSRUKMOE-IBGZPJMESA-N 1 0 472.609 3.366 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CC1(C)C ZINC001303833383 1068461406 /nfs/dbraw/zinc/46/14/06/1068461406.db2.gz HBRZUGOZEWKXCB-SVFBPWRDSA-N 1 0 480.723 3.415 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCCS1 ZINC001303835068 1068463360 /nfs/dbraw/zinc/46/33/60/1068463360.db2.gz VOYCTOWFRHROJY-IRFCIJBXSA-N 1 0 498.763 3.265 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CCC1CC1 ZINC001303835133 1068464057 /nfs/dbraw/zinc/46/40/57/1068464057.db2.gz WGILODNGJOHFOS-RBUKOAKNSA-N 1 0 466.696 3.169 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[NH+]2CCSCC2)C1 ZINC001305270659 1068466133 /nfs/dbraw/zinc/46/61/33/1068466133.db2.gz QDWYLSXNRMEULC-VXKWHMMOSA-N 1 0 470.687 3.364 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1Cc1ccsc1 ZINC001303836745 1068466328 /nfs/dbraw/zinc/46/63/28/1068466328.db2.gz PLSHIQROZPYZNA-GOSISDBHSA-N 1 0 480.704 3.091 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001305270992 1068467292 /nfs/dbraw/zinc/46/72/92/1068467292.db2.gz YRLGFYCCOYIQRM-FCHUYYIVSA-N 1 0 465.577 3.277 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3CC)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001305271630 1068469229 /nfs/dbraw/zinc/46/92/29/1068469229.db2.gz SEIUXPYXRXKNHT-QFIPXVFZSA-N 1 0 498.672 3.025 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001303842215 1068470365 /nfs/dbraw/zinc/47/03/65/1068470365.db2.gz LZMDCGRFUHLACK-XLIONFOSSA-N 1 0 478.638 3.101 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001305272245 1068471144 /nfs/dbraw/zinc/47/11/44/1068471144.db2.gz TUHJYVIEJOLMKJ-SFTDATJTSA-N 1 0 454.619 3.145 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001305272878 1068473342 /nfs/dbraw/zinc/47/33/42/1068473342.db2.gz VLYVJCMSNLKAQS-NHCUHLMSSA-N 1 0 454.619 3.145 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303843345 1068473482 /nfs/dbraw/zinc/47/34/82/1068473482.db2.gz WIXTUQRVUUOLHG-MOPGFXCFSA-N 1 0 466.696 3.169 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3cc(Cl)ccc3C2)n1CCCCC[NH+]1CCCC1 ZINC001303844828 1068477473 /nfs/dbraw/zinc/47/74/73/1068477473.db2.gz VKPWMTNGDNAAAJ-SFHVURJKSA-N 1 0 495.093 3.371 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001305278058 1068479519 /nfs/dbraw/zinc/47/95/19/1068479519.db2.gz NXSKSEAIRQWEQB-LCXINAFSSA-N 1 0 498.672 3.108 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001303847268 1068481666 /nfs/dbraw/zinc/48/16/66/1068481666.db2.gz VAOQKCVWFDMWKB-NHCUHLMSSA-N 1 0 486.686 3.447 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCc1ccsc1 ZINC001303848728 1068483144 /nfs/dbraw/zinc/48/31/44/1068483144.db2.gz JJOSCHIGOMOHPM-SVFBPWRDSA-N 1 0 494.731 3.283 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001305280847 1068484128 /nfs/dbraw/zinc/48/41/28/1068484128.db2.gz ZNLJZKISKFVBFL-ZZLPTCMGSA-N 1 0 474.694 3.424 20 0 JGADRO CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001305284957 1068486420 /nfs/dbraw/zinc/48/64/20/1068486420.db2.gz IYSOXTQMPCIXNR-FQEVSTJZSA-N 1 0 484.645 3.045 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccco2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001303851232 1068488527 /nfs/dbraw/zinc/48/85/27/1068488527.db2.gz DFHLBJVDBVDCLC-AABGKKOBSA-N 1 0 478.663 3.477 20 0 JGADRO CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001305288299 1068490831 /nfs/dbraw/zinc/49/08/31/1068490831.db2.gz OUVMKKCFABPVMG-XMMPIXPASA-N 1 0 495.716 3.432 20 0 JGADRO CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001305288480 1068491395 /nfs/dbraw/zinc/49/13/95/1068491395.db2.gz OIKQZRBOWNFMLE-OAQYLSRUSA-N 1 0 456.610 3.187 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C1CC(C(C)(C)C)C1 ZINC001303853686 1068493529 /nfs/dbraw/zinc/49/35/29/1068493529.db2.gz SCAAXSKBHBRIPT-AOCRQIFASA-N 1 0 454.685 3.196 20 0 JGADRO CC[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001305290642 1068493767 /nfs/dbraw/zinc/49/37/67/1068493767.db2.gz ZHJDSQDONGCKOU-HYBUGGRVSA-N 1 0 475.037 3.087 20 0 JGADRO CC[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001305290641 1068493810 /nfs/dbraw/zinc/49/38/10/1068493810.db2.gz ZHJDSQDONGCKOU-GBXCKJPGSA-N 1 0 475.037 3.087 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303856366 1068496430 /nfs/dbraw/zinc/49/64/30/1068496430.db2.gz VHLYDLRMMXCIBK-QXAKKESOSA-N 1 0 480.704 3.412 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001303855952 1068496473 /nfs/dbraw/zinc/49/64/73/1068496473.db2.gz CIQGCRYOARNWDG-INIZCTEOSA-N 1 0 499.056 3.184 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCOC1CCCCCC1 ZINC001303857656 1068498047 /nfs/dbraw/zinc/49/80/47/1068498047.db2.gz IWPPTACVHAKJFJ-FQEVSTJZSA-N 1 0 496.722 3.082 20 0 JGADRO CC[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305293705 1068498206 /nfs/dbraw/zinc/49/82/06/1068498206.db2.gz IQULBFURVBUJSZ-WOVHNISZSA-N 1 0 488.652 3.323 20 0 JGADRO C[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1Cc1cccs1)[NH+]1CCCCC1 ZINC001303858065 1068498774 /nfs/dbraw/zinc/49/87/74/1068498774.db2.gz OQUZMHNFLGEYMW-SLFFLAALSA-N 1 0 494.731 3.426 20 0 JGADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1Cc1cccs1)[NH+]1CCCCC1 ZINC001303858064 1068498786 /nfs/dbraw/zinc/49/87/86/1068498786.db2.gz OQUZMHNFLGEYMW-HSALFYBXSA-N 1 0 494.731 3.426 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC(F)(F)c1ccccc1 ZINC001303862125 1068500990 /nfs/dbraw/zinc/50/09/90/1068500990.db2.gz IIGXFBKZDPXNFA-GOSISDBHSA-N 1 0 496.628 3.135 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCC(C)(C)C ZINC001303863405 1068501653 /nfs/dbraw/zinc/50/16/53/1068501653.db2.gz RMRPMIDHAVZLNW-SFHVURJKSA-N 1 0 454.685 3.169 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(C)CCCC1 ZINC001303865168 1068502288 /nfs/dbraw/zinc/50/22/88/1068502288.db2.gz NOHHTXJCZVCWOU-SFHVURJKSA-N 1 0 454.685 3.027 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001303865955 1068502697 /nfs/dbraw/zinc/50/26/97/1068502697.db2.gz WTXYDHWBPFGSFZ-MOPGFXCFSA-N 1 0 468.712 3.273 20 0 JGADRO CC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001305299442 1068506841 /nfs/dbraw/zinc/50/68/41/1068506841.db2.gz MTBIDRKMXYORMV-AOUJKTHWSA-N 1 0 476.666 3.227 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CCC[NH+]1CCCCC1 ZINC001303874901 1068509216 /nfs/dbraw/zinc/50/92/16/1068509216.db2.gz FWWICKVWKVLYOI-LJQANCHMSA-N 1 0 484.736 3.020 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001305303512 1068512490 /nfs/dbraw/zinc/51/24/90/1068512490.db2.gz YCZGFJGMJAIDRH-SIBVEZHUSA-N 1 0 487.645 3.444 20 0 JGADRO CC[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001305314269 1068527412 /nfs/dbraw/zinc/52/74/12/1068527412.db2.gz HYJUBLDKQYDBTL-CYFREDJKSA-N 1 0 464.655 3.478 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC1([NH+](C)C)CCC1 ZINC001303893064 1068530985 /nfs/dbraw/zinc/53/09/85/1068530985.db2.gz OXEGPVDCBCJXEZ-KRWDZBQOSA-N 1 0 460.598 3.392 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001303893227 1068531169 /nfs/dbraw/zinc/53/11/69/1068531169.db2.gz PVHKYBYIPVKZCG-QZTJIDSGSA-N 1 0 472.609 3.392 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001303893448 1068531584 /nfs/dbraw/zinc/53/15/84/1068531584.db2.gz SXAFUNNSWBLFIT-AZUAARDMSA-N 1 0 481.638 3.299 20 0 JGADRO CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001305318209 1068534255 /nfs/dbraw/zinc/53/42/55/1068534255.db2.gz XFYSUMMKHWXBIY-KVZPGWMESA-N 1 0 463.667 3.254 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303896213 1068535490 /nfs/dbraw/zinc/53/54/90/1068535490.db2.gz YPQJREBUTOABOX-MSOLQXFVSA-N 1 0 458.582 3.133 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@H]2COCCO2)CC1 ZINC001303896674 1068536507 /nfs/dbraw/zinc/53/65/07/1068536507.db2.gz BCYZEXKSTLXTSW-UGKGYDQZSA-N 1 0 461.582 3.283 20 0 JGADRO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001303897610 1068538329 /nfs/dbraw/zinc/53/83/29/1068538329.db2.gz LDYOQAMMTAQLGR-CVEARBPZSA-N 1 0 458.504 3.192 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305321917 1068540621 /nfs/dbraw/zinc/54/06/21/1068540621.db2.gz JEZMRWQTQFGHJO-RXFWQSSRSA-N 1 0 495.676 3.276 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303899936 1068542871 /nfs/dbraw/zinc/54/28/71/1068542871.db2.gz XHQKYWMBZWFISI-LVCYWYKZSA-N 1 0 472.609 3.379 20 0 JGADRO C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(Nc2cccnn2)CC1)[NH+](C)C ZINC001303900296 1068543681 /nfs/dbraw/zinc/54/36/81/1068543681.db2.gz RQEDHLAFYWSAFO-QZTJIDSGSA-N 1 0 468.581 3.378 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303900536 1068543859 /nfs/dbraw/zinc/54/38/59/1068543859.db2.gz YWGSMYQVZOEDRG-UWVAXJGDSA-N 1 0 470.549 3.155 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303901423 1068544885 /nfs/dbraw/zinc/54/48/85/1068544885.db2.gz JVSASZSGWDJSKS-AVRDEDQJSA-N 1 0 493.649 3.303 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303901424 1068544936 /nfs/dbraw/zinc/54/49/36/1068544936.db2.gz JVSASZSGWDJSKS-GCJKJVERSA-N 1 0 493.649 3.303 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCNC(=O)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001303902522 1068545894 /nfs/dbraw/zinc/54/58/94/1068545894.db2.gz NQBNJRYYMRJUKP-SFHVURJKSA-N 1 0 458.582 3.148 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001303902321 1068546051 /nfs/dbraw/zinc/54/60/51/1068546051.db2.gz WJWWGRGEDMIUFY-CTNGQTDRSA-N 1 0 472.609 3.489 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCC(=O)N(C)C ZINC001303902735 1068546364 /nfs/dbraw/zinc/54/63/64/1068546364.db2.gz XVXMXLVPLXVTOG-AZUAARDMSA-N 1 0 458.582 3.100 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303903505 1068547494 /nfs/dbraw/zinc/54/74/94/1068547494.db2.gz RQHBAOVSEORKOP-NZQKXSOJSA-N 1 0 488.652 3.446 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001303903981 1068547899 /nfs/dbraw/zinc/54/78/99/1068547899.db2.gz VJJLCHWOZBJXHG-OALUTQOASA-N 1 0 475.609 3.408 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001303904294 1068548459 /nfs/dbraw/zinc/54/84/59/1068548459.db2.gz WEUZIAYKRLIXDA-UQBPGWFLSA-N 1 0 485.608 3.383 20 0 JGADRO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001303905816 1068550815 /nfs/dbraw/zinc/55/08/15/1068550815.db2.gz WXROHXPCMBEDQG-CVEARBPZSA-N 1 0 451.015 3.373 20 0 JGADRO 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20 0 JGADRO CC[C@H](c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC001305679923 1069039123 /nfs/dbraw/zinc/03/91/23/1069039123.db2.gz DMXVODJGFIGFRU-IRLDBZIGSA-N 1 0 459.660 3.177 20 0 JGADRO CC[C@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001305683774 1069043930 /nfs/dbraw/zinc/04/39/30/1069043930.db2.gz HROKPCUIVCLDMZ-CLAROIROSA-N 1 0 481.597 3.076 20 0 JGADRO CC[C@@H](c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001305684328 1069044670 /nfs/dbraw/zinc/04/46/70/1069044670.db2.gz TUTYOZSXXQPYDF-LOSJGSFVSA-N 1 0 482.673 3.283 20 0 JGADRO CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001305688479 1069051829 /nfs/dbraw/zinc/05/18/29/1069051829.db2.gz XLNGTJVUVFQEBW-UHFFFAOYSA-N 1 0 457.619 3.460 20 0 JGADRO CCC(CC)(Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)OC ZINC001305689148 1069053429 /nfs/dbraw/zinc/05/34/29/1069053429.db2.gz YDCGYBXWJCFNEX-QGZVFWFLSA-N 1 0 497.482 3.408 20 0 JGADRO CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)SC ZINC001305690217 1069055935 /nfs/dbraw/zinc/05/59/35/1069055935.db2.gz GVBIZBLVRBTUNN-UHFFFAOYSA-N 1 0 461.680 3.149 20 0 JGADRO CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001305692632 1069061303 /nfs/dbraw/zinc/06/13/03/1069061303.db2.gz IPQURZFGIWDSTR-KNQAVFIVSA-N 1 0 460.667 3.130 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@H](C)C1)[NH+](C)C ZINC001305702292 1069084761 /nfs/dbraw/zinc/08/47/61/1069084761.db2.gz AWCFMRNFCQCMIZ-XMSQKQJNSA-N 1 0 477.675 3.330 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001305703287 1069086227 /nfs/dbraw/zinc/08/62/27/1069086227.db2.gz HCOZWXKZKCAFSO-BWKNWUBXSA-N 1 0 454.619 3.179 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001305703290 1069086250 /nfs/dbraw/zinc/08/62/50/1069086250.db2.gz HCOZWXKZKCAFSO-SQJMNOBHSA-N 1 0 454.619 3.179 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001305703881 1069088824 /nfs/dbraw/zinc/08/88/24/1069088824.db2.gz CGUOGAMQGCZRQX-VQTJNVASSA-N 1 0 489.690 3.223 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001305704152 1069089734 /nfs/dbraw/zinc/08/97/34/1069089734.db2.gz BUJGGDBFOWEIIB-JOCHJYFZSA-N 1 0 453.635 3.155 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305704973 1069092163 /nfs/dbraw/zinc/09/21/63/1069092163.db2.gz HIPHXEUXGNSMFY-WFXMLNOXSA-N 1 0 461.680 3.146 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001305704979 1069093060 /nfs/dbraw/zinc/09/30/60/1069093060.db2.gz HJADPBSHHWHJQS-YADHBBJMSA-N 1 0 453.635 3.298 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1)[NH+]1CCOCC1 ZINC001305705702 1069093863 /nfs/dbraw/zinc/09/38/63/1069093863.db2.gz QYWLWURYXLCAPF-HOFKKMOUSA-N 1 0 498.672 3.053 20 0 JGADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1)[NH+]1CCOCC1 ZINC001305705675 1069094085 /nfs/dbraw/zinc/09/40/85/1069094085.db2.gz QLWGKJRBLAOENR-VWLOTQADSA-N 1 0 486.636 3.392 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C)[NH+](C)C ZINC001305706589 1069095966 /nfs/dbraw/zinc/09/59/66/1069095966.db2.gz NORASXYYOXSIRO-AVRDEDQJSA-N 1 0 456.635 3.377 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)[NH+](C)C ZINC001305707268 1069097860 /nfs/dbraw/zinc/09/78/60/1069097860.db2.gz DFWFPEFRZLJIIS-NRSPTQNISA-N 1 0 454.619 3.035 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001305707342 1069097898 /nfs/dbraw/zinc/09/78/98/1069097898.db2.gz DVPYMNWHLPTPLV-RUZDIDTESA-N 1 0 495.716 3.446 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001305708162 1069099881 /nfs/dbraw/zinc/09/98/81/1069099881.db2.gz TZCSZTWTRQPSMR-NRFANRHFSA-N 1 0 471.650 3.266 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001305708460 1069100473 /nfs/dbraw/zinc/10/04/73/1069100473.db2.gz VZDSAKABLFYFET-RXVVDRJESA-N 1 0 488.681 3.491 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001305708909 1069102088 /nfs/dbraw/zinc/10/20/88/1069102088.db2.gz YWSLTRFBDYDDAJ-AUSIDOKSSA-N 1 0 478.645 3.164 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)[NH+](C)C ZINC001305709245 1069103301 /nfs/dbraw/zinc/10/33/01/1069103301.db2.gz BGWRNZNCLYIZMW-IRLDBZIGSA-N 1 0 451.623 3.448 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC)(CC)C1)[NH+]1CCOCC1 ZINC001305709362 1069104023 /nfs/dbraw/zinc/10/40/23/1069104023.db2.gz CORYSZJOLFAJPD-RTWAWAEBSA-N 1 0 460.667 3.383 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC)(CC)C1)[NH+]1CCOCC1 ZINC001305709363 1069104231 /nfs/dbraw/zinc/10/42/31/1069104231.db2.gz CORYSZJOLFAJPD-SFTDATJTSA-N 1 0 460.667 3.383 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1)[NH+](C)C ZINC001305709620 1069104722 /nfs/dbraw/zinc/10/47/22/1069104722.db2.gz QQZDQWWKFNJKDK-RDGATRHJSA-N 1 0 493.656 3.201 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1)[NH+](C)C ZINC001305709650 1069104846 /nfs/dbraw/zinc/10/48/46/1069104846.db2.gz AVYDSHIXBCVQHR-QHCPKHFHSA-N 1 0 458.626 3.479 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001305709811 1069105497 /nfs/dbraw/zinc/10/54/97/1069105497.db2.gz GKNXRJKFYMQBTF-KPFFTGBYSA-N 1 0 479.670 3.399 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccs1)[NH+]1CCOCC1 ZINC001305709863 1069106114 /nfs/dbraw/zinc/10/61/14/1069106114.db2.gz GYRIFEXIAJJIKQ-UXHICEINSA-N 1 0 460.648 3.064 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001305710120 1069106858 /nfs/dbraw/zinc/10/68/58/1069106858.db2.gz DPNHQINBVZYZRL-AABGKKOBSA-N 1 0 460.648 3.232 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(CNC(C)=O)CC1)[NH+]1CCOCC1 ZINC001305710320 1069107195 /nfs/dbraw/zinc/10/71/95/1069107195.db2.gz UOKAKKNIOMQUEO-RUZDIDTESA-N 1 0 482.673 3.435 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(CO)CC1)[NH+](C)C ZINC001305710507 1069107822 /nfs/dbraw/zinc/10/78/22/1069107822.db2.gz JIEZQOCQIJOYQH-OAQYLSRUSA-N 1 0 467.618 3.169 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cncn2)C1)[NH+](C)C ZINC001305710765 1069108263 /nfs/dbraw/zinc/10/82/63/1069108263.db2.gz JBZNKXVBUANXIY-NHCUHLMSSA-N 1 0 471.679 3.433 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1)[NH+](C)C ZINC001305710744 1069108408 /nfs/dbraw/zinc/10/84/08/1069108408.db2.gz ISDXKDHESAVEOS-DHLKQENFSA-N 1 0 459.610 3.370 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC001305711058 1069109484 /nfs/dbraw/zinc/10/94/84/1069109484.db2.gz AJLKMPJSNGZVTO-BVSLBCMMSA-N 1 0 462.683 3.232 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001305711474 1069110495 /nfs/dbraw/zinc/11/04/95/1069110495.db2.gz BWSGCNPODCNVLD-PKTZIBPZSA-N 1 0 483.661 3.244 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001305711415 1069110504 /nfs/dbraw/zinc/11/05/04/1069110504.db2.gz MMVQAFOXVKEGAP-KNQAVFIVSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305711416 1069110590 /nfs/dbraw/zinc/11/05/90/1069110590.db2.gz MMVQAFOXVKEGAP-SIKLNZKXSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305711540 1069110631 /nfs/dbraw/zinc/11/06/31/1069110631.db2.gz OPZIMPYCLNZOIS-RBBKRZOGSA-N 1 0 476.691 3.418 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C)(COC)CC1)[NH+]1CCOCC1 ZINC001305711733 1069111654 /nfs/dbraw/zinc/11/16/54/1069111654.db2.gz CQJVVCMCUYJGNJ-YADHBBJMSA-N 1 0 463.667 3.172 20 0 JGADRO 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CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+]1CCOCC1 ZINC001305716893 1069123610 /nfs/dbraw/zinc/12/36/10/1069123610.db2.gz QHWFGEJNDHMNTB-HSZRJFAPSA-N 1 0 474.694 3.377 20 0 JGADRO CCC(CC)[C@@H](Cn1c(N2CCc3oncc3C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001305716993 1069124384 /nfs/dbraw/zinc/12/43/84/1069124384.db2.gz SHLISBXYPCALSD-YKSBVNFPSA-N 1 0 460.623 3.236 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001305717267 1069124877 /nfs/dbraw/zinc/12/48/77/1069124877.db2.gz SVIQOGIHNFCNNS-GOTSBHOMSA-N 1 0 474.694 3.410 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)[NH+](C)C ZINC001305718037 1069125543 /nfs/dbraw/zinc/12/55/43/1069125543.db2.gz VJNKEROKKALGEU-WOJBJXKFSA-N 1 0 477.723 3.152 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001305719970 1069128028 /nfs/dbraw/zinc/12/80/28/1069128028.db2.gz HFGGBTFPCBQURV-RXVVDRJESA-N 1 0 470.666 3.176 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305736049 1069157798 /nfs/dbraw/zinc/15/77/98/1069157798.db2.gz MOARKQQNWCLWJM-IBVKSMDESA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CCc1ccc2c[nH]nc2c1 ZINC001305738100 1069162857 /nfs/dbraw/zinc/16/28/57/1069162857.db2.gz LCUCGOKOTLYKNV-QZTJIDSGSA-N 1 0 466.634 3.234 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCOc1ccc(F)c(F)c1 ZINC001305738421 1069163723 /nfs/dbraw/zinc/16/37/23/1069163723.db2.gz FHADDOCLLBIZKJ-FUHWJXTLSA-N 1 0 476.572 3.227 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCOc1ccc(F)c(F)c1 ZINC001305738422 1069163799 /nfs/dbraw/zinc/16/37/99/1069163799.db2.gz FHADDOCLLBIZKJ-SJLPKXTDSA-N 1 0 476.572 3.227 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1Cc1ccc(N(CC)CC)nc1 ZINC001305739160 1069167036 /nfs/dbraw/zinc/16/70/36/1069167036.db2.gz JPONSEIYMNNFSD-SIKLNZKXSA-N 1 0 482.677 3.159 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001305739658 1069168082 /nfs/dbraw/zinc/16/80/82/1069168082.db2.gz GBLVKNDXQJXJER-MOPGFXCFSA-N 1 0 462.664 3.422 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H](C)Oc1ccccc1OC ZINC001305739843 1069168692 /nfs/dbraw/zinc/16/86/92/1069168692.db2.gz LRRRREHKSIWPGN-ZVDOUQERSA-N 1 0 484.645 3.346 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305740288 1069170500 /nfs/dbraw/zinc/17/05/00/1069170500.db2.gz HVPMBMIZFZWDMY-IHASJPSXSA-N 1 0 474.694 3.304 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](OC)c1ccccc1 ZINC001305740531 1069170932 /nfs/dbraw/zinc/17/09/32/1069170932.db2.gz OZQJJRJSOQIOBP-COPCDDAFSA-N 1 0 454.619 3.257 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741534 1069174275 /nfs/dbraw/zinc/17/42/75/1069174275.db2.gz STXVOQOHZVKSQB-PWRODBHTSA-N 1 0 495.672 3.169 20 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CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCc1ccn(C)n1 ZINC001305754258 1069204527 /nfs/dbraw/zinc/20/45/27/1069204527.db2.gz DSHRSTCUJHJIRW-UHFFFAOYSA-N 1 0 484.693 3.265 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@@H]1CCCOC1 ZINC001305754984 1069206316 /nfs/dbraw/zinc/20/63/16/1069206316.db2.gz IMRQQKSXWONDBA-GMAHTHKFSA-N 1 0 468.646 3.334 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305756241 1069210173 /nfs/dbraw/zinc/21/01/73/1069210173.db2.gz SQMYFGQWRXZFRI-QFIPXVFZSA-N 1 0 484.693 3.430 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCc1csc(C)n1 ZINC001305756371 1069210458 /nfs/dbraw/zinc/21/04/58/1069210458.db2.gz GSUTURYLEVMOPW-FQEVSTJZSA-N 1 0 459.664 3.269 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1cc(F)ccc1OC ZINC001305757179 1069213406 /nfs/dbraw/zinc/21/34/06/1069213406.db2.gz VDOQAUJWVIUKJU-NRFANRHFSA-N 1 0 472.609 3.457 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305758627 1069218045 /nfs/dbraw/zinc/21/80/45/1069218045.db2.gz KNFFCGUPEUGIKN-RXFWQSSRSA-N 1 0 486.636 3.308 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305758979 1069219579 /nfs/dbraw/zinc/21/95/79/1069219579.db2.gz NHRVWRAFZUVZMW-NIYFSFCBSA-N 1 0 486.636 3.165 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C2)CCCOC3)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305759219 1069220424 /nfs/dbraw/zinc/22/04/24/1069220424.db2.gz CAJIGISCBLFNSI-CPJSRVTESA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1CCCN1CC[NH+](CC)CC1 ZINC001305760536 1069225122 /nfs/dbraw/zinc/22/51/22/1069225122.db2.gz AKLRHAYGWAKPGG-UHFFFAOYSA-N 1 0 467.662 3.227 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CC(C)(C)C[NH+](C)C ZINC001305760598 1069225746 /nfs/dbraw/zinc/22/57/46/1069225746.db2.gz ZWLFYHWMESGXNQ-RUZDIDTESA-N 1 0 474.625 3.021 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001305760907 1069226653 /nfs/dbraw/zinc/22/66/53/1069226653.db2.gz FFSBQCLAOSQOSE-QGZVFWFLSA-N 1 0 454.619 3.251 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCOCC3)n1CC1(SC)CC[NH+](C)CC1 ZINC001305760851 1069226986 /nfs/dbraw/zinc/22/69/86/1069226986.db2.gz MLQXVHLQDRQBAX-UHFFFAOYSA-N 1 0 478.707 3.031 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)ccc3C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305761188 1069227335 /nfs/dbraw/zinc/22/73/35/1069227335.db2.gz HRARCKHRCBWNEI-KDURUIRLSA-N 1 0 486.636 3.398 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305762014 1069229429 /nfs/dbraw/zinc/22/94/29/1069229429.db2.gz VNMVXAIYCJXKIL-BWKNWUBXSA-N 1 0 454.619 3.116 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001305762758 1069231480 /nfs/dbraw/zinc/23/14/80/1069231480.db2.gz HLAOZLMQOUILRY-NRFANRHFSA-N 1 0 482.673 3.303 20 0 JGADRO 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CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](COC)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001305775333 1069257082 /nfs/dbraw/zinc/25/70/82/1069257082.db2.gz NOKRBYAJFRRWPA-IBGZPJMESA-N 1 0 480.723 3.277 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](COC)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001305775335 1069257741 /nfs/dbraw/zinc/25/77/41/1069257741.db2.gz NOKRBYAJFRRWPA-LJQANCHMSA-N 1 0 480.723 3.277 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001305776361 1069259667 /nfs/dbraw/zinc/25/96/67/1069259667.db2.gz MFSCLDGFFCEXTE-UHFFFAOYSA-N 1 0 487.615 3.145 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305776306 1069259768 /nfs/dbraw/zinc/25/97/68/1069259768.db2.gz SVDAEOMZGRPHOX-NQIIRXRSSA-N 1 0 456.639 3.003 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305776744 1069261030 /nfs/dbraw/zinc/26/10/30/1069261030.db2.gz ZQRUWGWPDFKBKX-NRFANRHFSA-N 1 0 460.667 3.468 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2[C@H]2CCCO2)n1CCC[NH+]1CCC(C)CC1 ZINC001305777113 1069262248 /nfs/dbraw/zinc/26/22/48/1069262248.db2.gz YZQJRFWIVXBSMB-FCHUYYIVSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(C)CCO[C@H]1C1CC1 ZINC001305779070 1069268077 /nfs/dbraw/zinc/26/80/77/1069268077.db2.gz KDMUZVGMEGRQFA-NBGIEHNGSA-N 1 0 460.667 3.322 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305780358 1069270619 /nfs/dbraw/zinc/27/06/19/1069270619.db2.gz CBDOMCFWTLVWSP-WOJBJXKFSA-N 1 0 487.718 3.483 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001305781250 1069272532 /nfs/dbraw/zinc/27/25/32/1069272532.db2.gz ZXWIXIKHUJQUTB-UUWRZZSWSA-N 1 0 488.702 3.044 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001305783977 1069279269 /nfs/dbraw/zinc/27/92/69/1069279269.db2.gz PTPQAHHUSSWHQH-UHFFFAOYSA-N 1 0 497.688 3.264 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001305784966 1069283016 /nfs/dbraw/zinc/28/30/16/1069283016.db2.gz CHMJQGCSHJHLOW-XIFFEERXSA-N 1 0 480.723 3.198 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H]1CCCC1(C)C ZINC001305785013 1069283564 /nfs/dbraw/zinc/28/35/64/1069283564.db2.gz DUJZWCMPTGGNLF-LJQANCHMSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCN1c2ccccc2C[C@@H]1C ZINC001305785164 1069284686 /nfs/dbraw/zinc/28/46/86/1069284686.db2.gz ASAIUFDNRZGHIK-NRFANRHFSA-N 1 0 481.689 3.426 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CC1(c2ccccc2OC)CC1 ZINC001305785299 1069285287 /nfs/dbraw/zinc/28/52/87/1069285287.db2.gz CPWBKBYZEDEVGF-IBGZPJMESA-N 1 0 468.646 3.467 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001305785378 1069285865 /nfs/dbraw/zinc/28/58/65/1069285865.db2.gz FOSAQJLJZONGJF-VWLOTQADSA-N 1 0 474.650 3.092 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001305785793 1069287785 /nfs/dbraw/zinc/28/77/85/1069287785.db2.gz LPLLDZMPULZNQO-GAJHUEQPSA-N 1 0 496.578 3.177 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305786418 1069290222 /nfs/dbraw/zinc/29/02/22/1069290222.db2.gz TWNOQJXTJRCWJD-HNNXBMFYSA-N 1 0 467.540 3.189 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccccc1OC ZINC001305786359 1069290262 /nfs/dbraw/zinc/29/02/62/1069290262.db2.gz VPGBUXXPBVWYMA-UHFFFAOYSA-N 1 0 454.619 3.318 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1Cc1ccc(Cl)cc1 ZINC001305787953 1069294829 /nfs/dbraw/zinc/29/48/29/1069294829.db2.gz SCSGEMMSAHPUAH-QGZVFWFLSA-N 1 0 463.026 3.055 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CC(F)(F)F ZINC001305787917 1069295587 /nfs/dbraw/zinc/29/55/87/1069295587.db2.gz QBHVCOQISNODSE-UHFFFAOYSA-N 1 0 452.525 3.389 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1ccc(OC)nc1 ZINC001305788220 1069296176 /nfs/dbraw/zinc/29/61/76/1069296176.db2.gz TZUHIHHFLCFDQG-HXUWFJFHSA-N 1 0 491.640 3.359 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccc(C)cc1C ZINC001305788218 1069296374 /nfs/dbraw/zinc/29/63/74/1069296374.db2.gz TYXYLNSKYLMWOV-NRFANRHFSA-N 1 0 468.646 3.020 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCOc1cccc(C)c1 ZINC001305788415 1069296857 /nfs/dbraw/zinc/29/68/57/1069296857.db2.gz LAFIYVAUJWKBOW-NRFANRHFSA-N 1 0 454.619 3.258 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305788667 1069297336 /nfs/dbraw/zinc/29/73/36/1069297336.db2.gz ABLFHUNBKKVLPH-RBUKOAKNSA-N 1 0 462.664 3.422 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@](C)(O)C1CCCCC1 ZINC001305788883 1069297968 /nfs/dbraw/zinc/29/79/68/1069297968.db2.gz MJPJRWPZHRYPMG-BWKNWUBXSA-N 1 0 460.667 3.202 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001305788995 1069298790 /nfs/dbraw/zinc/29/87/90/1069298790.db2.gz YYUKYAOWBKSLLK-NHCUHLMSSA-N 1 0 468.646 3.159 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001305789029 1069298841 /nfs/dbraw/zinc/29/88/41/1069298841.db2.gz ZPHNLPIVAXMODB-RUZDIDTESA-N 1 0 460.667 3.060 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccc(OC)cc1F ZINC001305789891 1069300100 /nfs/dbraw/zinc/30/01/00/1069300100.db2.gz SSNMTEMNZPPWOZ-LJQANCHMSA-N 1 0 458.582 3.067 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](C)c1ncc(C)s1 ZINC001305791087 1069303096 /nfs/dbraw/zinc/30/30/96/1069303096.db2.gz ZEZYXFXFFQJMBZ-LPHOPBHVSA-N 1 0 459.664 3.440 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001305791230 1069303891 /nfs/dbraw/zinc/30/38/91/1069303891.db2.gz ZXXLCJSQLOETBT-NQIIRXRSSA-N 1 0 472.609 3.478 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCC3)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305791757 1069304564 /nfs/dbraw/zinc/30/45/64/1069304564.db2.gz MAWJFCCWMSQVQI-FQEVSTJZSA-N 1 0 460.667 3.468 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305793314 1069308848 /nfs/dbraw/zinc/30/88/48/1069308848.db2.gz YLERGTLFOVDBQB-BVFVYWQFSA-N 1 0 492.709 3.337 20 0 JGADRO C[NH+](C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CCCCC1 ZINC000015387599 563011581 /nfs/dbraw/zinc/01/15/81/563011581.db2.gz WWMDPSWRYJQSJZ-UHFFFAOYSA-N 1 0 475.577 3.487 20 0 JGADRO C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=S)NCc4ccc5c(c4)OCO5)cc(c32)C1=O ZINC000028712279 563076857 /nfs/dbraw/zinc/07/68/57/563076857.db2.gz QRTVIFZCQAXQDT-UHFFFAOYSA-N 1 0 476.558 3.213 20 0 JGADRO c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)c1 ZINC001164402301 718839886 /nfs/dbraw/zinc/83/98/86/718839886.db2.gz FTYYOVNKWHCWKC-QGZVFWFLSA-N 1 0 454.669 3.500 20 0 JGADRO COc1ccccc1-c1cc(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c(Cl)nn1 ZINC001164415529 718885997 /nfs/dbraw/zinc/88/59/97/718885997.db2.gz JGAJQMVNAPDNEN-UHFFFAOYSA-N 1 0 461.904 3.041 20 0 JGADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1C ZINC001164421395 718893058 /nfs/dbraw/zinc/89/30/58/718893058.db2.gz XTSYZSFZOCEWST-LJQANCHMSA-N 1 0 487.670 3.367 20 0 JGADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c2c1C ZINC001164422666 718945504 /nfs/dbraw/zinc/94/55/04/718945504.db2.gz APKSUTHJQRSDJD-WOJBJXKFSA-N 1 0 493.633 3.084 20 0 JGADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C2 ZINC001164434373 718971636 /nfs/dbraw/zinc/97/16/36/718971636.db2.gz QVWMGVDDDNJZJP-IAGOWNOFSA-N 1 0 453.839 3.376 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1Cl ZINC001164620940 719006800 /nfs/dbraw/zinc/00/68/00/719006800.db2.gz ZTHSUGPSNLSLSF-QVKFZJNVSA-N 1 0 486.947 3.001 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1Cl ZINC001164620945 719007193 /nfs/dbraw/zinc/00/71/93/719007193.db2.gz ZTHSUGPSNLSLSF-YCRPNKLZSA-N 1 0 486.947 3.001 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164613989 719007800 /nfs/dbraw/zinc/00/78/00/719007800.db2.gz BCLOMERHXYCZJN-KSFYIVLOSA-N 1 0 483.991 3.424 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1[C@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164614457 719015365 /nfs/dbraw/zinc/01/53/65/719015365.db2.gz FLHNGFSOXYBHPA-GCUZGZFTSA-N 1 0 494.398 3.147 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(C(=O)OC)cc(Cl)n3)CC2)CC1 ZINC001164617486 719028181 /nfs/dbraw/zinc/02/81/81/719028181.db2.gz MNVZDLRLZUVTHZ-UHFFFAOYSA-N 1 0 459.921 3.310 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)nc(NC(=O)c4ccccc4)n3)CC2)CC1 ZINC001164618141 719034019 /nfs/dbraw/zinc/03/40/19/719034019.db2.gz TVLQGPHRFYDXGT-UHFFFAOYSA-N 1 0 451.571 3.281 20 0 JGADRO CN(C)C(=O)CN1CC[C@@]2(C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2c2ccccc2)C1=O ZINC001164633718 719145116 /nfs/dbraw/zinc/14/51/16/719145116.db2.gz SMHDYTVNVARCGI-CPJSRVTESA-N 1 0 455.002 3.376 20 0 JGADRO Clc1nc2c(c(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)n1)CN(Cc1ccccc1)CC2 ZINC001164633399 719266678 /nfs/dbraw/zinc/26/66/78/719266678.db2.gz CJDGJXAGRMOBDD-UHFFFAOYSA-N 1 0 488.983 3.450 20 0 JGADRO O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164648212 719306124 /nfs/dbraw/zinc/30/61/24/719306124.db2.gz QNNNZHRQIQXOTE-LDQXTDLNSA-N 1 0 466.960 3.263 20 0 JGADRO COc1nc(Cl)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681821 719657141 /nfs/dbraw/zinc/65/71/41/719657141.db2.gz REJBQZATFYGEJN-KRWDZBQOSA-N 1 0 458.006 3.232 20 0 JGADRO COc1nc(Cl)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681827 719657564 /nfs/dbraw/zinc/65/75/64/719657564.db2.gz REJBQZATFYGEJN-QGZVFWFLSA-N 1 0 458.006 3.232 20 0 JGADRO CCOC(=O)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164680950 719658124 /nfs/dbraw/zinc/65/81/24/719658124.db2.gz JPBQRDMJKGLTJV-OAQYLSRUSA-N 1 0 464.610 3.352 20 0 JGADRO COc1cnc(SC)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681670 719658448 /nfs/dbraw/zinc/65/84/48/719658448.db2.gz PUNMAGLFYUVKLY-SFHVURJKSA-N 1 0 469.655 3.301 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4c3COC4)CC2)c2ccccc21 ZINC001164681782 719663335 /nfs/dbraw/zinc/66/33/35/719663335.db2.gz QUUFIOGXGYYSLW-QGZVFWFLSA-N 1 0 470.017 3.254 20 0 JGADRO Cn1c(=O)ccc2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc21 ZINC001164684531 719669056 /nfs/dbraw/zinc/66/90/56/719669056.db2.gz UOEHUCFOTKYDCH-NRFANRHFSA-N 1 0 473.621 3.027 20 0 JGADRO COC(=O)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1C ZINC001164681192 719672593 /nfs/dbraw/zinc/67/25/93/719672593.db2.gz KMIZFEWRQZQFRU-FQEVSTJZSA-N 1 0 464.610 3.270 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)c2ccccc21 ZINC001164680901 719674518 /nfs/dbraw/zinc/67/45/18/719674518.db2.gz IPVOCUGBLUZLEN-HSZRJFAPSA-N 1 0 489.664 3.411 20 0 JGADRO Cc1nc2c(nc(Cl)nc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1C ZINC001164684459 719676771 /nfs/dbraw/zinc/67/67/71/719676771.db2.gz UFNOLVOFRWHBCU-SFHVURJKSA-N 1 0 496.059 3.419 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(Cn4ccccc4=O)cn3)CC2)c2ccccc21 ZINC001164680100 719678486 /nfs/dbraw/zinc/67/84/86/719678486.db2.gz CJSNJNPZILIERG-XMMPIXPASA-N 1 0 499.659 3.385 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN([C@@H](F)Oc3cncc(Cl)n3)CC2)c2ccccc21 ZINC001164688273 719681418 /nfs/dbraw/zinc/68/14/18/719681418.db2.gz ZVQRZPRKNORZRI-GAJHUEQPSA-N 1 0 475.996 3.351 20 0 JGADRO COc1ncc(Cl)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164688257 719682261 /nfs/dbraw/zinc/68/22/61/719682261.db2.gz ZBPQNFBHQDDTPY-KRWDZBQOSA-N 1 0 458.006 3.232 20 0 JGADRO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2O1 ZINC001164700129 719818519 /nfs/dbraw/zinc/81/85/19/719818519.db2.gz IQGTULBNCHUDGU-UIUQJESISA-N 1 0 497.643 3.378 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1 ZINC001164700902 719885156 /nfs/dbraw/zinc/88/51/56/719885156.db2.gz MUEAQKBXDYYMNI-CLAROIROSA-N 1 0 450.587 3.146 20 0 JGADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164697046 719896855 /nfs/dbraw/zinc/89/68/55/719896855.db2.gz IZAQACCPRGFOCE-UHFFFAOYSA-N 1 0 461.975 3.331 20 0 JGADRO CC(C)N1Cc2c(nc(Cl)nc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)C1=O ZINC001164696593 719897204 /nfs/dbraw/zinc/89/72/04/719897204.db2.gz GARMLZBNVGFZOW-UHFFFAOYSA-N 1 0 462.019 3.427 20 0 JGADRO O=S(=O)(c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1)N1CCCCC1 ZINC001164697729 719897932 /nfs/dbraw/zinc/89/79/32/719897932.db2.gz OOWLAMCXAIOGQM-UHFFFAOYSA-N 1 0 476.668 3.189 20 0 JGADRO 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COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]1)C2 ZINC001164817897 720158966 /nfs/dbraw/zinc/15/89/66/720158966.db2.gz QRARKMFCQGGJGA-DWACAAAGSA-N 1 0 476.621 3.431 20 0 JGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@@]34CCN(C)C4=O)CC2)nc1 ZINC001164716484 720161749 /nfs/dbraw/zinc/16/17/49/720161749.db2.gz ZSVZJDXCRDDOBX-NEKDWFFYSA-N 1 0 496.700 3.451 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cc(Cl)ncc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716316 720169103 /nfs/dbraw/zinc/16/91/03/720169103.db2.gz ZFWMANIPQNHHRR-MRXNPFEDSA-N 1 0 461.344 3.278 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712424 720172918 /nfs/dbraw/zinc/17/29/18/720172918.db2.gz GNHCEGLWEFTVOR-LJQANCHMSA-N 1 0 477.947 3.173 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716323 720173274 /nfs/dbraw/zinc/17/32/74/720173274.db2.gz ZJAIMPCLEHJGAX-OAHLLOKOSA-N 1 0 483.976 3.234 20 0 JGADRO Cn1nnc2c1CCN(c1cc(-c3ccnc(Cl)c3)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716150 720173325 /nfs/dbraw/zinc/17/33/25/720173325.db2.gz YCPUDDHFBCSXAN-FQEVSTJZSA-N 1 0 453.978 3.142 20 0 JGADRO Cn1nnc2c1CCN(c1ncnc3cc(C(C)(C)C)sc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719491 720174254 /nfs/dbraw/zinc/17/42/54/720174254.db2.gz VNDNXQAONYNKEB-GOSISDBHSA-N 1 0 455.632 3.334 20 0 JGADRO Cn1nnc2c1CCN(c1cc(Cl)nc(Cc3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717041 720177231 /nfs/dbraw/zinc/17/72/31/720177231.db2.gz JOXUCDOCCZZLMO-HXUWFJFHSA-N 1 0 468.005 3.066 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)nc3cc(Cl)ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716539 720182174 /nfs/dbraw/zinc/18/21/74/720182174.db2.gz GTZUUTBTTOFDIN-SFHVURJKSA-N 1 0 462.385 3.281 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)C2 ZINC001164813748 720182204 /nfs/dbraw/zinc/18/22/04/720182204.db2.gz DWOWUVPJFXWXPE-UUOWRZLLSA-N 1 0 492.592 3.345 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)C2 ZINC001164813747 720182356 /nfs/dbraw/zinc/18/23/56/720182356.db2.gz DWOWUVPJFXWXPE-MHECFPHRSA-N 1 0 492.592 3.345 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)[C@H]2COCC[NH+]1CCCC1 ZINC001164717748 720182516 /nfs/dbraw/zinc/18/25/16/720182516.db2.gz MDOFPEAQLVEAJA-KRWDZBQOSA-N 1 0 465.936 3.106 20 0 JGADRO COc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c2cc(Cl)ccc12 ZINC001164719929 720182763 /nfs/dbraw/zinc/18/27/63/720182763.db2.gz YZANZLVFNXWMPU-HXUWFJFHSA-N 1 0 456.978 3.242 20 0 JGADRO Cn1nnc2c1CCN(c1cc(Cl)nnc1-c1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717055 720182921 /nfs/dbraw/zinc/18/29/21/720182921.db2.gz JVCUGJWMRFSUTD-HXUWFJFHSA-N 1 0 453.978 3.142 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(OC)c(OC)c3OC)nn1)C2 ZINC001164819176 720189323 /nfs/dbraw/zinc/18/93/23/720189323.db2.gz WJVVZSBXCYLCIL-BCHFMIIMSA-N 1 0 468.598 3.354 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717127 720190177 /nfs/dbraw/zinc/19/01/77/720190177.db2.gz SJAGBKWOMLMHCV-QGZVFWFLSA-N 1 0 499.082 3.170 20 0 JGADRO Cn1nnc2c1CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716643 720193583 /nfs/dbraw/zinc/19/35/83/720193583.db2.gz QQXHUDUMYDDMFT-LJQANCHMSA-N 1 0 466.977 3.109 20 0 JGADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164713790 720197133 /nfs/dbraw/zinc/19/71/33/720197133.db2.gz DPPXLNQUGFBDON-HYBUGGRVSA-N 1 0 490.656 3.353 20 0 JGADRO Cn1nnc2c1CCN(c1ncnc3c(-c4ccccc4)nsc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164714980 720198176 /nfs/dbraw/zinc/19/81/76/720198176.db2.gz IBUSJTOVJYSYFA-IBGZPJMESA-N 1 0 476.610 3.098 20 0 JGADRO Cn1nnc2c1CCN(c1nnc(Cl)c3ccc(Cl)cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714527 720202094 /nfs/dbraw/zinc/20/20/94/720202094.db2.gz GGGJGARXCRCKMU-GOSISDBHSA-N 1 0 462.385 3.281 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719323 720204699 /nfs/dbraw/zinc/20/46/99/720204699.db2.gz RIMMTKNLMPAKRI-OAHLLOKOSA-N 1 0 477.343 3.158 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164716346 720206802 /nfs/dbraw/zinc/20/68/02/720206802.db2.gz BWCLOXISAWCQNR-IBGZPJMESA-N 1 0 466.964 3.113 20 0 JGADRO COc1cc2c(cc1F)cc(Cl)nc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719245 720207195 /nfs/dbraw/zinc/20/71/95/720207195.db2.gz PIXPBNMMSJPVLG-LJQANCHMSA-N 1 0 474.968 3.381 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)CCC2 ZINC001164813226 720216065 /nfs/dbraw/zinc/21/60/65/720216065.db2.gz NPEINQPZKWWXOV-UHFFFAOYSA-N 1 0 495.027 3.472 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CCC2 ZINC001164812911 720227354 /nfs/dbraw/zinc/22/73/54/720227354.db2.gz KGGIWWRTGLVDEC-UHFFFAOYSA-N 1 0 461.010 3.071 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CCC2 ZINC001164813939 720229078 /nfs/dbraw/zinc/22/90/78/720229078.db2.gz SIUDUIXEVFOQSY-UHFFFAOYSA-N 1 0 473.940 3.264 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3nc1N1CCCCC1)CCC2 ZINC001164812318 720234435 /nfs/dbraw/zinc/23/44/35/720234435.db2.gz FEDVTSBIIJVZKX-UHFFFAOYSA-N 1 0 461.614 3.427 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)N1CCc3ccccc31)CCC2 ZINC001164813338 720236479 /nfs/dbraw/zinc/23/64/79/720236479.db2.gz NAVKSOOZKYWKNY-UHFFFAOYSA-N 1 0 472.593 3.092 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CCC2 ZINC001164813261 720239177 /nfs/dbraw/zinc/23/91/77/720239177.db2.gz MDOIVDLKDQRKLF-UHFFFAOYSA-N 1 0 473.021 3.215 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C(=O)N3CCCCC3)cc(Cl)n2)CC1 ZINC001164828233 720302562 /nfs/dbraw/zinc/30/25/62/720302562.db2.gz ZFNBEDYYEUZZPM-LEWJYISDSA-N 1 0 474.049 3.273 20 0 JGADRO 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CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164888664 721430824 /nfs/dbraw/zinc/43/08/24/721430824.db2.gz AAGVACKQTYRSIH-KBMIEXCESA-N 1 0 488.032 3.225 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncccc4C(=O)N4CCc5ccccc54)C3)O2)CC1 ZINC001164893151 721433300 /nfs/dbraw/zinc/43/33/00/721433300.db2.gz JJBLNPKCCBKQSL-QDPGVEIFSA-N 1 0 475.637 3.050 20 0 JGADRO Cc1ccc(-c2nc3c(ncnc3N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)o2)cc1 ZINC001164892997 721437447 /nfs/dbraw/zinc/43/74/47/721437447.db2.gz INJBQLBSJLKOJS-RLWLMLJZSA-N 1 0 462.598 3.359 20 0 JGADRO Cc1nc(COC[C@H]2CCC[C@@]23CN(c2cccc(N4CC[NH+](C)CC4)n2)CCO3)cs1 ZINC001164785783 721444334 /nfs/dbraw/zinc/44/43/34/721444334.db2.gz SVEONKSMAHKDSO-HYBUGGRVSA-N 1 0 457.644 3.191 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)C3)O2)CC1 ZINC001164894912 721444439 /nfs/dbraw/zinc/44/44/39/721444439.db2.gz NFJOXUCFBKGRKI-DYESRHJHSA-N 1 0 482.963 3.095 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(C(=O)OC(C)(C)C)cc4Cl)C3)O2)CC1 ZINC001164898803 721446340 /nfs/dbraw/zinc/44/63/40/721446340.db2.gz XOIKGLCTMKKMJL-YADARESESA-N 1 0 465.038 3.456 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(C(=O)OC(C)(C)C)cc4Cl)C3)O2)CC1 ZINC001164898801 721446625 /nfs/dbraw/zinc/44/66/25/721446625.db2.gz XOIKGLCTMKKMJL-DVECYGJZSA-N 1 0 465.038 3.456 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)COC(=O)Nc4cccnc4Cl)C3)O2)CC1 ZINC001164889140 721447986 /nfs/dbraw/zinc/44/79/86/721447986.db2.gz NWBPIMQGECJUME-LAUBAEHRSA-N 1 0 487.979 3.137 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC001164788743 721448628 /nfs/dbraw/zinc/44/86/28/721448628.db2.gz UBWYJODIGGUZHD-JOCHJYFZSA-N 1 0 456.631 3.052 20 0 JGADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788728 721451307 /nfs/dbraw/zinc/45/13/07/721451307.db2.gz TVOONRLGJJATCJ-AXKGWLQCSA-N 1 0 457.615 3.392 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164892745 721451599 /nfs/dbraw/zinc/45/15/99/721451599.db2.gz XVJUXHGFFWYUHO-RXVVDRJESA-N 1 0 487.979 3.137 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(Cl)c1C(=O)OC)CC2 ZINC001164789486 721451930 /nfs/dbraw/zinc/45/19/30/721451930.db2.gz WRNKKXUWRQULIL-SFHVURJKSA-N 1 0 451.995 3.256 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)OC)cc(Cl)n1)CC2 ZINC001164790436 721452057 /nfs/dbraw/zinc/45/20/57/721452057.db2.gz ZAGKLINUUBUUJM-LJQANCHMSA-N 1 0 451.995 3.256 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C3)O2)CC1 ZINC001164885994 721453925 /nfs/dbraw/zinc/45/39/25/721453925.db2.gz GBWYNZJDFQCWAO-MGPUTAFESA-N 1 0 487.020 3.136 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)Cc4nc5c(ncnc5Cl)s4)C3)O2)CC1 ZINC001164885992 721454139 /nfs/dbraw/zinc/45/41/39/721454139.db2.gz GBWYNZJDFQCWAO-FOIQADDNSA-N 1 0 487.020 3.136 20 0 JGADRO 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Cc1cccc(Oc2nc(Cl)ncc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1 ZINC001164795389 721521862 /nfs/dbraw/zinc/52/18/62/721521862.db2.gz OLLMQAMLOCGOAS-UHFFFAOYSA-N 1 0 453.978 3.195 20 0 JGADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912316 721534307 /nfs/dbraw/zinc/53/43/07/721534307.db2.gz YVOMXZGUFHKOSL-AZUAARDMSA-N 1 0 467.545 3.459 20 0 JGADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906875 721539078 /nfs/dbraw/zinc/53/90/78/721539078.db2.gz LQJRUKKTOMKRNI-HIFRSBDPSA-N 1 0 455.317 3.441 20 0 JGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@@H+]3C2)c1 ZINC001164911422 721541274 /nfs/dbraw/zinc/54/12/74/721541274.db2.gz WRWDKRCVVRBTEK-GGAORHGYSA-N 1 0 475.572 3.405 20 0 JGADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912467 721545637 /nfs/dbraw/zinc/54/56/37/721545637.db2.gz ZWWZDEQVOKBNSP-IRLDBZIGSA-N 1 0 463.557 3.497 20 0 JGADRO 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CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1)OC ZINC001305837273 1069380399 /nfs/dbraw/zinc/38/03/99/1069380399.db2.gz MUMODBQTSNUJTK-JOCHJYFZSA-N 1 0 469.609 3.106 20 0 JGADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)[NH+]1CCCC1 ZINC001305837227 1069380502 /nfs/dbraw/zinc/38/05/02/1069380502.db2.gz SMIPHXBEUDJXMZ-AZUAARDMSA-N 1 0 457.619 3.422 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305837363 1069381034 /nfs/dbraw/zinc/38/10/34/1069381034.db2.gz SNUCQDOARMMCBW-WOJBJXKFSA-N 1 0 476.666 3.492 20 0 JGADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C)[NH+]1CCCC1 ZINC001305838155 1069381570 /nfs/dbraw/zinc/38/15/70/1069381570.db2.gz PLZXYWCUNWYPQP-AQNXPRMDSA-N 1 0 462.639 3.450 20 0 JGADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001305839472 1069385298 /nfs/dbraw/zinc/38/52/98/1069385298.db2.gz XQLXYPRWAOYGFP-QFIPXVFZSA-N 1 0 452.647 3.415 20 0 JGADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCCC2)CC1)OC ZINC001305838987 1069384434 /nfs/dbraw/zinc/38/44/34/1069384434.db2.gz SSXGGYQZXYAMFN-RTWAWAEBSA-N 1 0 492.665 3.076 20 0 JGADRO CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001305839204 1069384875 /nfs/dbraw/zinc/38/48/75/1069384875.db2.gz WEHLHVCJOSNYHO-IEBWSBKVSA-N 1 0 460.573 3.079 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001305839737 1069386109 /nfs/dbraw/zinc/38/61/09/1069386109.db2.gz AMFXHMAMFOJGOZ-IBGZPJMESA-N 1 0 457.623 3.098 20 0 JGADRO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305842538 1069391676 /nfs/dbraw/zinc/39/16/76/1069391676.db2.gz BVNKXHLGICJTGF-HBMCJLEFSA-N 1 0 486.665 3.116 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC001305842359 1069391706 /nfs/dbraw/zinc/39/17/06/1069391706.db2.gz ILRDAAGGNKIRIJ-NRFANRHFSA-N 1 0 458.676 3.500 20 0 JGADRO CC[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCCN(C(C)=O)CC1)[NH+]1CCCC1 ZINC001305843856 1069393562 /nfs/dbraw/zinc/39/35/62/1069393562.db2.gz GPLNTWXKSHCUBG-XMMPIXPASA-N 1 0 452.647 3.386 20 0 JGADRO CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001305843890 1069393654 /nfs/dbraw/zinc/39/36/54/1069393654.db2.gz HKVIDOOGOFHUMX-FPOVZHCZSA-N 1 0 472.659 3.025 20 0 JGADRO CC[C@@H](Cn1c(N2CCC(C[NH+]3CCOCC3)CC2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001305848373 1069399312 /nfs/dbraw/zinc/39/93/12/1069399312.db2.gz AEOZJZGYODVOMS-FQEVSTJZSA-N 1 0 478.682 3.428 20 0 JGADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1)[NH+]1CCCC1 ZINC001305850661 1069403544 /nfs/dbraw/zinc/40/35/44/1069403544.db2.gz QQYSVZXWHFRFFB-HSALFYBXSA-N 1 0 462.639 3.150 20 0 JGADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC001305850860 1069404086 /nfs/dbraw/zinc/40/40/86/1069404086.db2.gz UPZMLMKWKFJCGE-ZGXWSNOMSA-N 1 0 462.639 3.148 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC001305880404 1069433236 /nfs/dbraw/zinc/43/32/36/1069433236.db2.gz PNNQVRHYUPORJJ-JPYJTQIMSA-N 1 0 460.648 3.320 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001305881457 1069434689 /nfs/dbraw/zinc/43/46/89/1069434689.db2.gz KFGGYHDGJJYPFL-HSZRJFAPSA-N 1 0 463.648 3.084 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001305885037 1069440644 /nfs/dbraw/zinc/44/06/44/1069440644.db2.gz ZVVIROJYBWLVFR-CYFREDJKSA-N 1 0 455.607 3.053 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001305887456 1069444208 /nfs/dbraw/zinc/44/42/08/1069444208.db2.gz PTHWDQCBWYFKAP-NVQXNPDNSA-N 1 0 468.646 3.202 20 0 JGADRO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001305893887 1069451021 /nfs/dbraw/zinc/45/10/21/1069451021.db2.gz QBGVYDLLGKQBCZ-MOPGFXCFSA-N 1 0 454.685 3.025 20 0 JGADRO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001305893890 1069451156 /nfs/dbraw/zinc/45/11/56/1069451156.db2.gz QBGVYDLLGKQBCZ-RTBURBONSA-N 1 0 454.685 3.025 20 0 JGADRO CCc1ccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)NC(C)(C)C)[NH+](C)C)cc1 ZINC001305915991 1069470912 /nfs/dbraw/zinc/47/09/12/1069470912.db2.gz KSKBGRYEUJSVOP-OAQYLSRUSA-N 1 0 451.619 3.489 20 0 JGADRO CCc1ccc(-c2nnc(N(C)[C@H]3CCCc4c3cnn4C)n2CCOCC[NH+](C)C)cc1 ZINC001305916409 1069471381 /nfs/dbraw/zinc/47/13/81/1069471381.db2.gz DZDCRORMVWOYDE-QFIPXVFZSA-N 1 0 451.619 3.333 20 0 JGADRO CCc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC001305915299 1069469853 /nfs/dbraw/zinc/46/98/53/1069469853.db2.gz AKWGVOABPSNSEX-FYYLOGMGSA-N 1 0 468.646 3.129 20 0 JGADRO CCc1ccc([C@H](Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC001305915699 1069470302 /nfs/dbraw/zinc/47/03/02/1069470302.db2.gz BUHCGEJENZAVOM-QHCPKHFHSA-N 1 0 490.656 3.295 20 0 JGADRO CCc1ccc([C@H](Cn2c(N3CC(C)(OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001305918064 1069472560 /nfs/dbraw/zinc/47/25/60/1069472560.db2.gz CNHOSUJHMSKQAE-BKMJKUGQSA-N 1 0 471.646 3.409 20 0 JGADRO CCc1ccc([C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](COC)C2)[NH+](C)C)cc1 ZINC001305920490 1069475724 /nfs/dbraw/zinc/47/57/24/1069475724.db2.gz SFRRSTXHDZBVRR-XZOQPEGZSA-N 1 0 484.670 3.351 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@H](C)CC)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)[NH+](C)C)cc1 ZINC001305918524 1069473619 /nfs/dbraw/zinc/47/36/19/1069473619.db2.gz SKVYQFJSYRDOPB-QIJUGHKUSA-N 1 0 493.660 3.189 20 0 JGADRO CCc1ccc([C@H](Cn2c(N3CCC(NS(=O)(=O)CC)CC3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001305919200 1069474691 /nfs/dbraw/zinc/47/46/91/1069474691.db2.gz IRGRSFRSJOOQBH-QFIPXVFZSA-N 1 0 490.718 3.349 20 0 JGADRO CCc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)[NH+](C)C)cc1 ZINC001305920641 1069476311 /nfs/dbraw/zinc/47/63/11/1069476311.db2.gz UAKZGPCJUCJVLH-YKSBVNFPSA-N 1 0 492.672 3.237 20 0 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CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001298968241 1064758937 /nfs/dbraw/zinc/75/89/37/1064758937.db2.gz WJYIGLBIJNSDKS-IRXDYDNUSA-N 1 0 463.026 3.157 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001298969187 1064760296 /nfs/dbraw/zinc/76/02/96/1064760296.db2.gz AFZIEJJSICGSCQ-GBXCKJPGSA-N 1 0 492.672 3.460 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001298969199 1064760409 /nfs/dbraw/zinc/76/04/09/1064760409.db2.gz AFZIEJJSICGSCQ-YKSBVNFPSA-N 1 0 492.672 3.460 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001298969196 1064760545 /nfs/dbraw/zinc/76/05/45/1064760545.db2.gz AFZIEJJSICGSCQ-RDPSFJRHSA-N 1 0 492.672 3.460 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2OC)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001298970218 1064761306 /nfs/dbraw/zinc/76/13/06/1064761306.db2.gz NHRYAAZBXPLVJJ-MOPGFXCFSA-N 1 0 456.635 3.283 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001298972429 1064762908 /nfs/dbraw/zinc/76/29/08/1064762908.db2.gz XQEVGZCILZVYDI-QAPCUYQASA-N 1 0 489.418 3.422 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001298979843 1064766601 /nfs/dbraw/zinc/76/66/01/1064766601.db2.gz ZDOUDYBZCUUFQU-CVDCTZTESA-N 1 0 491.640 3.313 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001298981165 1064768204 /nfs/dbraw/zinc/76/82/04/1064768204.db2.gz CDKOYJOMJSZNHE-QGZVFWFLSA-N 1 0 487.073 3.460 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001298983667 1064769259 /nfs/dbraw/zinc/76/92/59/1064769259.db2.gz LBUOVQWTIBPMAR-WIYYLYMNSA-N 1 0 461.054 3.461 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001298988332 1064772149 /nfs/dbraw/zinc/77/21/49/1064772149.db2.gz UICSXURLYNMPOY-QGZVFWFLSA-N 1 0 462.589 3.230 20 0 JGADRO 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20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC001492282386 1065375898 /nfs/dbraw/zinc/37/58/98/1065375898.db2.gz XMZXGFVELMIOJH-SFTDATJTSA-N 1 0 483.661 3.459 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492283877 1065377030 /nfs/dbraw/zinc/37/70/30/1065377030.db2.gz MYBFWVVEMFBAIZ-OAHLLOKOSA-N 1 0 474.407 3.369 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492287167 1065379980 /nfs/dbraw/zinc/37/99/80/1065379980.db2.gz NRXDUDIPCXONKO-BHIFYINESA-N 1 0 484.645 3.055 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001492318042 1065394248 /nfs/dbraw/zinc/39/42/48/1065394248.db2.gz SNWSVMAJJZOHMR-FQEVSTJZSA-N 1 0 475.659 3.053 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001492336290 1065402645 /nfs/dbraw/zinc/40/26/45/1065402645.db2.gz DLXNIIDPJNZILJ-OAQYLSRUSA-N 1 0 468.646 3.405 20 0 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Cc1ccc(OCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492354138 1065418742 /nfs/dbraw/zinc/41/87/42/1065418742.db2.gz YJJMUIUFIGEQIE-SANMLTNESA-N 1 0 471.646 3.121 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)n2CC(C)C)cc1C ZINC001492391041 1065418785 /nfs/dbraw/zinc/41/87/85/1065418785.db2.gz KJRRDKHUXHAVPH-RUZDIDTESA-N 1 0 484.689 3.361 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCCS(C)(=O)=O)cc1C ZINC001492358461 1065419776 /nfs/dbraw/zinc/41/97/76/1065419776.db2.gz AUARLAVQCFFLBT-UHFFFAOYSA-N 1 0 489.686 3.363 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001492358918 1065420578 /nfs/dbraw/zinc/42/05/78/1065420578.db2.gz FRTCUJYWWBEBSZ-UHFFFAOYSA-N 1 0 494.562 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(N4CCCC4=O)CC3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492360009 1065421471 /nfs/dbraw/zinc/42/14/71/1065421471.db2.gz PGGGSPHUAUHAPX-UHFFFAOYSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)cc1C ZINC001492359604 1065421528 /nfs/dbraw/zinc/42/15/28/1065421528.db2.gz LFPICPMBRGFAAV-UHFFFAOYSA-N 1 0 489.686 3.408 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001492363363 1065424068 /nfs/dbraw/zinc/42/40/68/1065424068.db2.gz ISOPYLAJAHORDN-GMAHTHKFSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001492363924 1065425659 /nfs/dbraw/zinc/42/56/59/1065425659.db2.gz OPPRZKSCAQVMOT-UHFFFAOYSA-N 1 0 477.675 3.075 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492370820 1065433476 /nfs/dbraw/zinc/43/34/76/1065433476.db2.gz LZHXXOOWCHQVGE-FUDKSRODSA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[NH+]2CCCC2)cc1 ZINC001492371381 1065435051 /nfs/dbraw/zinc/43/50/51/1065435051.db2.gz PZEAZLXNJNGGRC-NRFANRHFSA-N 1 0 454.619 3.002 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492371605 1065436044 /nfs/dbraw/zinc/43/60/44/1065436044.db2.gz RVKYZVJGFNOFEP-NRFANRHFSA-N 1 0 468.646 3.392 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001492372147 1065436589 /nfs/dbraw/zinc/43/65/89/1065436589.db2.gz WKGIGEAXIXLCIE-QFIPXVFZSA-N 1 0 498.672 3.017 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCN2CCOC[C@@H]2C)cc1 ZINC001492377003 1065439963 /nfs/dbraw/zinc/43/99/63/1065439963.db2.gz IZMSHGAKSXIDLM-QFIPXVFZSA-N 1 0 470.662 3.197 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001492376764 1065439990 /nfs/dbraw/zinc/43/99/90/1065439990.db2.gz FCBOTBQDKRGFSS-FPOVZHCZSA-N 1 0 466.586 3.072 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001492382937 1065445228 /nfs/dbraw/zinc/44/52/28/1065445228.db2.gz GCKLMHJPXUJHBL-TZIWHRDSSA-N 1 0 466.586 3.037 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CCC(C)C)cc1C ZINC001492383326 1065447903 /nfs/dbraw/zinc/44/79/03/1065447903.db2.gz QUEWWFVYYHRTNM-HSZRJFAPSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001492386158 1065454861 /nfs/dbraw/zinc/45/48/61/1065454861.db2.gz YLWDWFYZKNWATB-UHFFFAOYSA-N 1 0 466.552 3.334 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001492341040 1065457059 /nfs/dbraw/zinc/45/70/59/1065457059.db2.gz YDCBFMVFAATZDG-GGAORHGYSA-N 1 0 468.646 3.261 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001492346255 1065461141 /nfs/dbraw/zinc/46/11/41/1065461141.db2.gz GHKQELKYQZZOHW-UHFFFAOYSA-N 1 0 494.562 3.156 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@@H+](C)C2CCCCC2)cc1C ZINC001492347065 1065462729 /nfs/dbraw/zinc/46/27/29/1065462729.db2.gz QHGJYFKLTLASGZ-HXUWFJFHSA-N 1 0 454.619 3.050 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(Cc4ccsc4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492392022 1065464273 /nfs/dbraw/zinc/46/42/73/1065464273.db2.gz VVCUQQUZLNPJOV-FQEVSTJZSA-N 1 0 454.644 3.499 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC[C@H]3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492399805 1065468548 /nfs/dbraw/zinc/46/85/48/1065468548.db2.gz CUEIXPRRYRLMPQ-GGAORHGYSA-N 1 0 457.619 3.056 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001492401990 1065471698 /nfs/dbraw/zinc/47/16/98/1065471698.db2.gz QHZFOXDUXCBIBJ-XUZZJYLKSA-N 1 0 459.660 3.118 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1C ZINC001492408480 1065474184 /nfs/dbraw/zinc/47/41/84/1065474184.db2.gz MMDFFKMISCVCJC-ZRZAMGCNSA-N 1 0 484.689 3.361 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001492418816 1065479541 /nfs/dbraw/zinc/47/95/41/1065479541.db2.gz NCEWFDNMJISMOP-QFIPXVFZSA-N 1 0 468.646 3.458 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001492420542 1065481112 /nfs/dbraw/zinc/48/11/12/1065481112.db2.gz GSHNNOQSLAKZIE-UXHICEINSA-N 1 0 468.627 3.417 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492432266 1065489707 /nfs/dbraw/zinc/48/97/07/1065489707.db2.gz YQOPSSOXKOGKGO-RTWAWAEBSA-N 1 0 488.702 3.389 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCn2c(C3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)s1 ZINC001492437511 1065493720 /nfs/dbraw/zinc/49/37/20/1065493720.db2.gz BNBVIHGQQQVUDY-UHFFFAOYSA-N 1 0 480.704 3.062 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001492455906 1065505723 /nfs/dbraw/zinc/50/57/23/1065505723.db2.gz DWTSLLDWARCRAZ-QUCCMNQESA-N 1 0 456.660 3.311 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492460360 1065508633 /nfs/dbraw/zinc/50/86/33/1065508633.db2.gz WBYSAZAELCQYPJ-IBGZPJMESA-N 1 0 465.689 3.090 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC(=O)N(C)C)cc1 ZINC001492463712 1065511404 /nfs/dbraw/zinc/51/14/04/1065511404.db2.gz WZGSHEGURZUHGJ-UHFFFAOYSA-N 1 0 456.660 3.422 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001492468077 1065515873 /nfs/dbraw/zinc/51/58/73/1065515873.db2.gz URUBLQMVXVNBMX-GOSISDBHSA-N 1 0 456.641 3.179 20 0 JGADRO Cc1ccc(SCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC001492469251 1065517958 /nfs/dbraw/zinc/51/79/58/1065517958.db2.gz DZEXCCOBFINZKX-PMACEKPBSA-N 1 0 492.715 3.054 20 0 JGADRO Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC001492469506 1065518569 /nfs/dbraw/zinc/51/85/69/1065518569.db2.gz MNYKJTRUJHGHOD-FQEVSTJZSA-N 1 0 486.686 3.207 20 0 JGADRO Cc1ccc(SCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001492469713 1065519085 /nfs/dbraw/zinc/51/90/85/1065519085.db2.gz SFBJSUQBTJKDPS-IBGZPJMESA-N 1 0 492.715 3.054 20 0 JGADRO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCOCC2)CC[C@@H]1C ZINC001300797091 1065529163 /nfs/dbraw/zinc/52/91/63/1065529163.db2.gz VVBWZHBZKPUWHL-LPHOPBHVSA-N 1 0 495.466 3.018 20 0 JGADRO CO[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCC2)CC1(C)C ZINC001300798112 1065530106 /nfs/dbraw/zinc/53/01/06/1065530106.db2.gz ZMKXSNWYPIFCCV-INIZCTEOSA-N 1 0 451.413 3.381 20 0 JGADRO CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC[C@H]1C ZINC001300800653 1065532595 /nfs/dbraw/zinc/53/25/95/1065532595.db2.gz UHJGZJBILJSKJS-WOIUINJBSA-N 1 0 489.064 3.455 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1(C)C ZINC001300812640 1065542769 /nfs/dbraw/zinc/54/27/69/1065542769.db2.gz KTPWJNDENGVUQO-FCHUYYIVSA-N 1 0 468.646 3.057 20 0 JGADRO CO[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2([NH+](C)C)CCOCC2)CC[C@H]1C ZINC001300826517 1065555124 /nfs/dbraw/zinc/55/51/24/1065555124.db2.gz NWIYULSBIFSPRA-UTKZUKDTSA-N 1 0 463.573 3.119 20 0 JGADRO CO[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)CC[C@@H]1C ZINC001300826713 1065555605 /nfs/dbraw/zinc/55/56/05/1065555605.db2.gz WHJBYKIXMKAJQO-ACIOBRDBSA-N 1 0 484.693 3.290 20 0 JGADRO CO[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[NH+]2CCOCC2)CC1(C)C ZINC001300827111 1065555670 /nfs/dbraw/zinc/55/56/70/1065555670.db2.gz RIGSWEBIMJHNAG-NRFANRHFSA-N 1 0 463.573 3.121 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC[C@@H]1C ZINC001300827305 1065556400 /nfs/dbraw/zinc/55/64/00/1065556400.db2.gz SAJLZEDDLAFXIV-YCRNBWNJSA-N 1 0 477.600 3.365 20 0 JGADRO CO[C@H]1CN(c2nnc(COc3cccc(C)c3)n2CC2CC[NH+](CCN(C)C)CC2)CC[C@H]1C ZINC001300842926 1065580754 /nfs/dbraw/zinc/58/07/54/1065580754.db2.gz OIADFIXVQXJLLO-RDGATRHJSA-N 1 0 484.689 3.300 20 0 JGADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[N@@H+]2CCCO)CC[C@H]1C ZINC001300843340 1065581916 /nfs/dbraw/zinc/58/19/16/1065581916.db2.gz PZHARMXZBQEJLL-CQOQZXRMSA-N 1 0 471.646 3.182 20 0 JGADRO CO[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CC[C@H]1C ZINC001300844237 1065584645 /nfs/dbraw/zinc/58/46/45/1065584645.db2.gz XIAKICCOCRBNGI-ZILOHOTNSA-N 1 0 459.660 3.198 20 0 JGADRO CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[NH+]2CCOCC2)CC1(C)C ZINC001300849046 1065592069 /nfs/dbraw/zinc/59/20/69/1065592069.db2.gz MFIVDKZZUWQVTD-QHAWAJNXSA-N 1 0 463.667 3.170 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2([NH+](C)C)CCSC2)CC[C@@H]1C ZINC001300850794 1065594203 /nfs/dbraw/zinc/59/42/03/1065594203.db2.gz SKXDWXAKHOURTO-ZMRSVYEUSA-N 1 0 465.708 3.495 20 0 JGADRO CO[C@@H]1COCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300857268 1065609685 /nfs/dbraw/zinc/60/96/85/1065609685.db2.gz PCIORNSHLVWZOP-SIKLNZKXSA-N 1 0 478.037 3.197 20 0 JGADRO COCC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001300873037 1065648580 /nfs/dbraw/zinc/64/85/80/1065648580.db2.gz MQTWOAUEKHMQSO-QFIPXVFZSA-N 1 0 468.646 3.016 20 0 JGADRO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)C1 ZINC001300874318 1065651935 /nfs/dbraw/zinc/65/19/35/1065651935.db2.gz ONRQROMMKKXWGW-HKUYNNGSSA-N 1 0 452.393 3.398 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300882663 1065669153 /nfs/dbraw/zinc/66/91/53/1065669153.db2.gz LCUSPQIDYVDFGV-WOJBJXKFSA-N 1 0 486.636 3.136 20 0 JGADRO COCC(C)(C)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001300914188 1065714146 /nfs/dbraw/zinc/71/41/46/1065714146.db2.gz KHOVIEBAZGJYAT-HXUWFJFHSA-N 1 0 472.634 3.042 20 0 JGADRO COCC(C)(C)CCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001300920387 1065719509 /nfs/dbraw/zinc/71/95/09/1065719509.db2.gz NQPPPRJPYDRADJ-OAQYLSRUSA-N 1 0 460.667 3.131 20 0 JGADRO COCC(C)(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001300924482 1065721830 /nfs/dbraw/zinc/72/18/30/1065721830.db2.gz CMZGNASKAWJDIW-YADHBBJMSA-N 1 0 463.667 3.174 20 0 JGADRO 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COC[C@H]1CCCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001301230372 1066049431 /nfs/dbraw/zinc/04/94/31/1066049431.db2.gz DHDGRIHRQZCCLV-HTAPYJJXSA-N 1 0 478.435 3.027 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001301230373 1066049582 /nfs/dbraw/zinc/04/95/82/1066049582.db2.gz DHDGRIHRQZCCLV-JTSKRJEESA-N 1 0 478.435 3.027 20 0 JGADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC001301231896 1066050564 /nfs/dbraw/zinc/05/05/64/1066050564.db2.gz DHFJFDXYNGARSX-HXUWFJFHSA-N 1 0 451.596 3.413 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001301239518 1066057429 /nfs/dbraw/zinc/05/74/29/1066057429.db2.gz MXVFRWXZSHTCKN-GOSISDBHSA-N 1 0 463.026 3.357 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001301247294 1066064013 /nfs/dbraw/zinc/06/40/13/1066064013.db2.gz BFPNUVXKSQWGQN-QNWVGRARSA-N 1 0 470.662 3.405 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(Cc3ccccn3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001301247426 1066064500 /nfs/dbraw/zinc/06/45/00/1066064500.db2.gz DSHASQIEFILQQU-FQEVSTJZSA-N 1 0 458.676 3.344 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCC2)C1 ZINC001301248351 1066065824 /nfs/dbraw/zinc/06/58/24/1066065824.db2.gz GTYVSGWBJGTZQZ-GOSISDBHSA-N 1 0 460.648 3.007 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001301249744 1066066705 /nfs/dbraw/zinc/06/67/05/1066066705.db2.gz XOTJGGBTSPLCQG-FDFHNCONSA-N 1 0 470.662 3.405 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001301250041 1066067049 /nfs/dbraw/zinc/06/70/49/1066067049.db2.gz ZZAURIAFBKHTHK-NRFANRHFSA-N 1 0 458.676 3.344 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301260666 1066075346 /nfs/dbraw/zinc/07/53/46/1066075346.db2.gz DEHQUMFCSCNASF-KNQAVFIVSA-N 1 0 489.064 3.404 20 0 JGADRO COC[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001301260672 1066075450 /nfs/dbraw/zinc/07/54/50/1066075450.db2.gz DGMWRNSNLXIXIJ-WHSBFGAESA-N 1 0 471.646 3.484 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001301261023 1066075765 /nfs/dbraw/zinc/07/57/65/1066075765.db2.gz IJDGKQPDMGZRCF-CVEARBPZSA-N 1 0 465.440 3.392 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001301260967 1066075807 /nfs/dbraw/zinc/07/58/07/1066075807.db2.gz HSJQAECVVXHTBG-IRXDYDNUSA-N 1 0 465.440 3.393 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001301263568 1066079072 /nfs/dbraw/zinc/07/90/72/1066079072.db2.gz MGTJPQITQFFEBU-RBUKOAKNSA-N 1 0 463.026 3.357 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001301267448 1066082921 /nfs/dbraw/zinc/08/29/21/1066082921.db2.gz XKWCNFRQIOBRDQ-HXUWFJFHSA-N 1 0 477.675 3.330 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC[N@H+](C)C(C)C)C1 ZINC001301274782 1066086081 /nfs/dbraw/zinc/08/60/81/1066086081.db2.gz UBXPMEKZXXVDRL-SFHVURJKSA-N 1 0 453.591 3.187 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001301284055 1066092038 /nfs/dbraw/zinc/09/20/38/1066092038.db2.gz STRYXCSLWKUBIU-JOCHJYFZSA-N 1 0 460.667 3.021 20 0 JGADRO COC[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301284713 1066092884 /nfs/dbraw/zinc/09/28/84/1066092884.db2.gz YMIRKCKBTRYZHI-VQTJNVASSA-N 1 0 474.675 3.253 20 0 JGADRO COCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001301286067 1066094063 /nfs/dbraw/zinc/09/40/63/1066094063.db2.gz MJFDDRZFHUKLBP-SFHVURJKSA-N 1 0 469.615 3.153 20 0 JGADRO COCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301287492 1066095367 /nfs/dbraw/zinc/09/53/67/1066095367.db2.gz RYWANNGXCYWPOH-OAQYLSRUSA-N 1 0 469.634 3.156 20 0 JGADRO COCC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001301293822 1066098755 /nfs/dbraw/zinc/09/87/55/1066098755.db2.gz CKMOKGMHFLBGQB-GAJHUEQPSA-N 1 0 464.010 3.001 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001301294659 1066099738 /nfs/dbraw/zinc/09/97/38/1066099738.db2.gz OUVULKKNESCVFB-OPAMFIHVSA-N 1 0 467.586 3.457 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001301297820 1066103961 /nfs/dbraw/zinc/10/39/61/1066103961.db2.gz GCNWVDNPGIUMEE-SFTDATJTSA-N 1 0 489.686 3.476 20 0 JGADRO COCC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCCCC2)CC1 ZINC001301299852 1066107277 /nfs/dbraw/zinc/10/72/77/1066107277.db2.gz YQQRKTPUJZCRPP-UHFFFAOYSA-N 1 0 475.659 3.087 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001301306484 1066110254 /nfs/dbraw/zinc/11/02/54/1066110254.db2.gz FBFNYLXYYFJDCV-MRXNPFEDSA-N 1 0 496.425 3.430 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001301309879 1066112372 /nfs/dbraw/zinc/11/23/72/1066112372.db2.gz WMQRDDNGOKTQGL-HUUCEWRRSA-N 1 0 452.397 3.139 20 0 JGADRO COCC1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001301328373 1066121541 /nfs/dbraw/zinc/12/15/41/1066121541.db2.gz FSVNYIHPJIXDAP-HSZRJFAPSA-N 1 0 471.646 3.097 20 0 JGADRO COC[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001301329032 1066122025 /nfs/dbraw/zinc/12/20/25/1066122025.db2.gz OMZFCEVHHMAYKX-REWPJTCUSA-N 1 0 450.587 3.048 20 0 JGADRO COC[C@H]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301342706 1066132658 /nfs/dbraw/zinc/13/26/58/1066132658.db2.gz HLFMEZAHWAEODJ-RTWAWAEBSA-N 1 0 457.619 3.459 20 0 JGADRO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001301348198 1066138546 /nfs/dbraw/zinc/13/85/46/1066138546.db2.gz VCNJKTIVPCKOHB-GGAORHGYSA-N 1 0 484.645 3.263 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC001301357413 1066146686 /nfs/dbraw/zinc/14/66/86/1066146686.db2.gz ACXHKLZUSZVAEH-AEFFLSMTSA-N 1 0 495.466 3.161 20 0 JGADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)(F)F)C2)ccn1 ZINC001301364676 1066159908 /nfs/dbraw/zinc/15/99/08/1066159908.db2.gz UZCARISZCSBGSC-LSBZLQRGSA-N 1 0 466.508 3.331 20 0 JGADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C3=CCCN(C(=O)OC(C)(C)C)CC3)C2)ccn1 ZINC001301364531 1066159935 /nfs/dbraw/zinc/15/99/35/1066159935.db2.gz PHAXKEWMHBGDRV-JOCHJYFZSA-N 1 0 458.603 3.470 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H](C)O1 ZINC001301368073 1066162093 /nfs/dbraw/zinc/16/20/93/1066162093.db2.gz HSIKFPQAGBFVFQ-WIYYLYMNSA-N 1 0 478.037 3.074 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(COc4ccccc4)o3)n2C[C@H](C)[NH+](C)C)C[C@@H](C)O1 ZINC001301369306 1066163868 /nfs/dbraw/zinc/16/38/68/1066163868.db2.gz PIZKSSZPOMJCMP-JQVVWYNYSA-N 1 0 469.586 3.307 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001301370601 1066165058 /nfs/dbraw/zinc/16/50/58/1066165058.db2.gz APQWFFBSQNCLDS-MXBUBSDBSA-N 1 0 487.645 3.082 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccccc2C[N@H+](C)C(C)C)C[C@@H](C)O1 ZINC001301372465 1066166589 /nfs/dbraw/zinc/16/65/89/1066166589.db2.gz AKPBRAIDVDDLTK-OFNKIYASSA-N 1 0 464.614 3.469 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCC[C@H]2C)C[C@H](C)O1 ZINC001301373945 1066167714 /nfs/dbraw/zinc/16/77/14/1066167714.db2.gz HMYINVAXJOAZIZ-SQNIBIBYSA-N 1 0 478.435 3.432 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001301376982 1066170602 /nfs/dbraw/zinc/17/06/02/1066170602.db2.gz WGRONWJVPUKPDB-MRXNPFEDSA-N 1 0 464.408 3.044 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccccc2C[N@H+](C)C(C)C)C[C@H](C)O1 ZINC001301378307 1066171610 /nfs/dbraw/zinc/17/16/10/1066171610.db2.gz TUWMBFMLNOIAIZ-GBXCKJPGSA-N 1 0 464.614 3.469 20 0 JGADRO CCC[N@@H+]1CC[C@@H](NC(=O)c2c(I)ccc(Br)c2F)C1 ZINC001301378450 1066171630 /nfs/dbraw/zinc/17/16/30/1066171630.db2.gz FXWCCLXJLUMDIG-SECBINFHSA-N 1 0 455.109 3.407 20 0 JGADRO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001301387646 1066174502 /nfs/dbraw/zinc/17/45/02/1066174502.db2.gz KVDQVDVAADHDOI-SQOUVECCSA-N 1 0 457.619 3.280 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC001301396359 1066177445 /nfs/dbraw/zinc/17/74/45/1066177445.db2.gz JSYXSKIBUGCDQZ-CBQOVEMMSA-N 1 0 459.610 3.369 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H](C)O1 ZINC001301397757 1066178532 /nfs/dbraw/zinc/17/85/32/1066178532.db2.gz UHTJMQIKXUEMAA-SESVDKBCSA-N 1 0 469.586 3.014 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H](C)O1 ZINC001301397988 1066179051 /nfs/dbraw/zinc/17/90/51/1066179051.db2.gz XZQYQLLDONNWIL-LMNJBCLMSA-N 1 0 457.550 3.144 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001301398009 1066179081 /nfs/dbraw/zinc/17/90/81/1066179081.db2.gz YFYSCYKDIDTWRB-UNMCSNQZSA-N 1 0 459.610 3.228 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301398109 1066179190 /nfs/dbraw/zinc/17/91/90/1066179190.db2.gz ZJKYFOXPBOSUDO-VWPQPMDRSA-N 1 0 459.610 3.228 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001301400259 1066180652 /nfs/dbraw/zinc/18/06/52/1066180652.db2.gz UKBVALFPORQKCN-OPYAIIAOSA-N 1 0 462.664 3.138 20 0 JGADRO COC[C@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001301403709 1066185292 /nfs/dbraw/zinc/18/52/92/1066185292.db2.gz OXHSJRXFVFVSQD-HSZRJFAPSA-N 1 0 471.646 3.188 20 0 JGADRO COC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C[NH+](C)C)C[C@@H](C)O1 ZINC001301407543 1066190149 /nfs/dbraw/zinc/19/01/49/1066190149.db2.gz PQBFEDZPKKWIKS-IFMALSPDSA-N 1 0 459.635 3.302 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301409518 1066194742 /nfs/dbraw/zinc/19/47/42/1066194742.db2.gz GTHZARJYMVDQRS-KNQAVFIVSA-N 1 0 475.609 3.358 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001301410057 1066196463 /nfs/dbraw/zinc/19/64/63/1066196463.db2.gz PKZDXZTWVXFKBN-RXVVDRJESA-N 1 0 464.010 3.094 20 0 JGADRO COC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001301411128 1066200072 /nfs/dbraw/zinc/20/00/72/1066200072.db2.gz XBHWBUHZARYANV-UYAOXDASSA-N 1 0 475.590 3.212 20 0 JGADRO COCC[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001301437750 1066239591 /nfs/dbraw/zinc/23/95/91/1066239591.db2.gz MCPXNSRCQKYVCX-HTAPYJJXSA-N 1 0 496.425 3.309 20 0 JGADRO COCCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301949888 1066245058 /nfs/dbraw/zinc/24/50/58/1066245058.db2.gz BWHKIYBQSJACEA-QHCPKHFHSA-N 1 0 468.646 3.136 20 0 JGADRO 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C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1CCCCC1 ZINC001301995635 1066322233 /nfs/dbraw/zinc/32/22/33/1066322233.db2.gz HTBWCZHYQLXSTL-QZTJIDSGSA-N 1 0 483.629 3.281 20 0 JGADRO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001301997868 1066327757 /nfs/dbraw/zinc/32/77/57/1066327757.db2.gz FIFAHBWAJURJPH-CXDZAULZSA-N 1 0 471.646 3.211 20 0 JGADRO COCC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001301502991 1066329072 /nfs/dbraw/zinc/32/90/72/1066329072.db2.gz JAEUKHUYVPFSPE-UNMCSNQZSA-N 1 0 477.613 3.400 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC=CCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001301999603 1066331671 /nfs/dbraw/zinc/33/16/71/1066331671.db2.gz HESRVTALTDNJRA-JTHBVZDNSA-N 1 0 455.603 3.060 20 0 JGADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001301999765 1066332486 /nfs/dbraw/zinc/33/24/86/1066332486.db2.gz CQPOJJVISDNKQV-UXHICEINSA-N 1 0 473.687 3.196 20 0 JGADRO 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COCC[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001301517141 1066345614 /nfs/dbraw/zinc/34/56/14/1066345614.db2.gz YLEBTJVOUJTEEB-ACRUOGEOSA-N 1 0 456.635 3.399 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CC[NH+]1CCCC1 ZINC001302006363 1066346490 /nfs/dbraw/zinc/34/64/90/1066346490.db2.gz FEJKYFOZWQUSFM-AWEZNQCLSA-N 1 0 473.462 3.419 20 0 JGADRO COCC[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001301518775 1066346971 /nfs/dbraw/zinc/34/69/71/1066346971.db2.gz WEBUEOWBYRDJLO-SFHVURJKSA-N 1 0 463.573 3.121 20 0 JGADRO COCC[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001301525607 1066352261 /nfs/dbraw/zinc/35/22/61/1066352261.db2.gz RQDOQCAMUDANFT-JOCHJYFZSA-N 1 0 471.646 3.264 20 0 JGADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001302009530 1066352342 /nfs/dbraw/zinc/35/23/42/1066352342.db2.gz VVUYPZRBWOVVSC-RTWAWAEBSA-N 1 0 487.693 3.017 20 0 JGADRO CCC1([NH+]2CCOCC2)CCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)CC1 ZINC001302010276 1066353849 /nfs/dbraw/zinc/35/38/49/1066353849.db2.gz SAZWBMRTTIBCIM-UHFFFAOYSA-N 1 0 456.631 3.054 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302011110 1066354473 /nfs/dbraw/zinc/35/44/73/1066354473.db2.gz IIADPSJKUFZHPD-XUVXKRRUSA-N 1 0 489.665 3.372 20 0 JGADRO COCCCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001301537050 1066365085 /nfs/dbraw/zinc/36/50/85/1066365085.db2.gz QKNIXWZSMXNLCH-UHFFFAOYSA-N 1 0 455.651 3.152 20 0 JGADRO CC(C)(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001302019247 1066370757 /nfs/dbraw/zinc/37/07/57/1066370757.db2.gz AQVLYJRIIPQKSD-FCHUYYIVSA-N 1 0 474.694 3.427 20 0 JGADRO CC(C)(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001302020270 1066371984 /nfs/dbraw/zinc/37/19/84/1066371984.db2.gz VEKMMLDMQFTGIP-UHFFFAOYSA-N 1 0 453.635 3.205 20 0 JGADRO 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CC(C)(C)[C@@]1(C)CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001302030216 1066394498 /nfs/dbraw/zinc/39/44/98/1066394498.db2.gz MSZJRSCRTNBWFJ-WXVAWEFUSA-N 1 0 485.673 3.388 20 0 JGADRO CC(C)(C)[C@]1(C)CN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001302030211 1066394573 /nfs/dbraw/zinc/39/45/73/1066394573.db2.gz MSZJRSCRTNBWFJ-AMGIVPHBSA-N 1 0 485.673 3.388 20 0 JGADRO COCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001301574426 1066399889 /nfs/dbraw/zinc/39/98/89/1066399889.db2.gz YBWRTQFZBDFJBN-QFIPXVFZSA-N 1 0 470.662 3.073 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CC[N@H+]1CC=CCC1 ZINC001302037131 1066407636 /nfs/dbraw/zinc/40/76/36/1066407636.db2.gz KPEUMRRHPAKSHF-FQEVSTJZSA-N 1 0 455.603 3.144 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001302037640 1066408167 /nfs/dbraw/zinc/40/81/67/1066408167.db2.gz NEFVHQPCRONZRS-IBGZPJMESA-N 1 0 475.609 3.123 20 0 JGADRO 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CC(C)(C)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001302051244 1066437409 /nfs/dbraw/zinc/43/74/09/1066437409.db2.gz XNIVFXPMJDQBTR-DOTOQJQBSA-N 1 0 456.557 3.097 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302051954 1066438664 /nfs/dbraw/zinc/43/86/64/1066438664.db2.gz ALVJCBPHCPQSEI-GIVPXCGWSA-N 1 0 489.665 3.273 20 0 JGADRO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC001301597576 1066441193 /nfs/dbraw/zinc/44/11/93/1066441193.db2.gz IAXRDEMDRXZPCW-UHFFFAOYSA-N 1 0 454.477 3.122 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](C)[NH+](C)C ZINC001302052753 1066441907 /nfs/dbraw/zinc/44/19/07/1066441907.db2.gz FZNJAXFKYRRQMU-ZACQAIPSSA-N 1 0 473.544 3.009 20 0 JGADRO CC(C)(C)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001302052837 1066442403 /nfs/dbraw/zinc/44/24/03/1066442403.db2.gz APOGHISUJXMOIA-UXHICEINSA-N 1 0 468.637 3.244 20 0 JGADRO CC(C)(C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001302052931 1066442978 /nfs/dbraw/zinc/44/29/78/1066442978.db2.gz DJQSXLPSOHDMQW-RUZDIDTESA-N 1 0 459.635 3.405 20 0 JGADRO COCCCN(C)c1nnc(Cc2ccncc2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001301599901 1066443223 /nfs/dbraw/zinc/44/32/23/1066443223.db2.gz LKSALAVPDCMWEI-UHFFFAOYSA-N 1 0 458.676 3.488 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[C@H](C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001302053195 1066443804 /nfs/dbraw/zinc/44/38/04/1066443804.db2.gz QZFQKCUBXBOZSS-SFTDATJTSA-N 1 0 471.646 3.243 20 0 JGADRO COCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001301601506 1066445349 /nfs/dbraw/zinc/44/53/49/1066445349.db2.gz CJONAGGZSSFFHS-SFTDATJTSA-N 1 0 492.665 3.076 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302054010 1066446051 /nfs/dbraw/zinc/44/60/51/1066446051.db2.gz KPYUADHUODQBMC-MSZDEVHKSA-N 1 0 490.693 3.104 20 0 JGADRO COCCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001301606206 1066450982 /nfs/dbraw/zinc/45/09/82/1066450982.db2.gz BJUCUCCUQOCMBW-IAGOWNOFSA-N 1 0 466.424 3.290 20 0 JGADRO COCCC[N@H+](C)CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCS(=O)(=O)CC1 ZINC001301606185 1066451050 /nfs/dbraw/zinc/45/10/50/1066451050.db2.gz BFDYTHWNBVMHBX-UHFFFAOYSA-N 1 0 498.074 3.016 20 0 JGADRO COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001301606738 1066452370 /nfs/dbraw/zinc/45/23/70/1066452370.db2.gz DALMKSHBTDCPAM-HXOBKFHXSA-N 1 0 482.000 3.090 20 0 JGADRO COCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001301607083 1066452923 /nfs/dbraw/zinc/45/29/23/1066452923.db2.gz ISPNPCWFIXWYHM-QAPCUYQASA-N 1 0 451.413 3.383 20 0 JGADRO COCCC[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@]2(CCOC2)C1 ZINC001301607763 1066455116 /nfs/dbraw/zinc/45/51/16/1066455116.db2.gz QEDDRQCTRWAIOY-QFIPXVFZSA-N 1 0 496.425 3.432 20 0 JGADRO COCCC[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001301608998 1066456393 /nfs/dbraw/zinc/45/63/93/1066456393.db2.gz GACOFMLISHWGEA-OAQYLSRUSA-N 1 0 458.994 3.473 20 0 JGADRO COCCC[N@H+](C)CCn1c(C2CC2)nnc1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC001301609042 1066456410 /nfs/dbraw/zinc/45/64/10/1066456410.db2.gz GKSZMSPBXPQDQG-QGZVFWFLSA-N 1 0 455.529 3.181 20 0 JGADRO CC(C)(C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001302061646 1066459993 /nfs/dbraw/zinc/45/99/93/1066459993.db2.gz UPSQESBEJUEEJL-SFHVURJKSA-N 1 0 470.584 3.487 20 0 JGADRO CC(C)(C)c1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302063229 1066461085 /nfs/dbraw/zinc/46/10/85/1066461085.db2.gz GBVGWWFTBRFXCM-NRFANRHFSA-N 1 0 488.702 3.273 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001301613244 1066462401 /nfs/dbraw/zinc/46/24/01/1066462401.db2.gz KNANNJPDWJVIFO-LVCYWYKZSA-N 1 0 461.632 3.089 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001301613743 1066463136 /nfs/dbraw/zinc/46/31/36/1066463136.db2.gz QJJHNEQVAREXQB-CQSZACIVSA-N 1 0 473.462 3.071 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001301613623 1066463281 /nfs/dbraw/zinc/46/32/81/1066463281.db2.gz NMTRMXWUPOCWRE-QHCPKHFHSA-N 1 0 456.635 3.123 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)CC[C@H]1C ZINC001301613862 1066463843 /nfs/dbraw/zinc/46/38/43/1066463843.db2.gz SFNRGBTWOAGPIE-NJYVYQBISA-N 1 0 494.681 3.180 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCCc3sccc3C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302065172 1066464431 /nfs/dbraw/zinc/46/44/31/1066464431.db2.gz JZKRQZNTIORJRA-LJQANCHMSA-N 1 0 477.675 3.252 20 0 JGADRO CC(C)(C)c1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302065594 1066465042 /nfs/dbraw/zinc/46/50/42/1066465042.db2.gz MGRGAFUPGMGGQD-OFVILXPXSA-N 1 0 476.065 3.260 20 0 JGADRO COCCC[N@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001301616807 1066466460 /nfs/dbraw/zinc/46/64/60/1066466460.db2.gz CQHIXELMZAEDFD-KDURUIRLSA-N 1 0 475.588 3.212 20 0 JGADRO COCCC[N@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001301617523 1066468705 /nfs/dbraw/zinc/46/87/05/1066468705.db2.gz JQLJCUSRDBCTIH-NQIIRXRSSA-N 1 0 494.562 3.405 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCn1c(C)nc2ccccc21 ZINC001302066834 1066468652 /nfs/dbraw/zinc/46/86/52/1066468652.db2.gz GWZYUHAMNKNDTM-HXUWFJFHSA-N 1 0 469.634 3.281 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001301617921 1066469431 /nfs/dbraw/zinc/46/94/31/1066469431.db2.gz LCAXITJONXUXLF-PSWRPDDJSA-N 1 0 463.667 3.169 20 0 JGADRO COCCC[N@H+](C)CCn1c(N2CCC(NC(=O)c3ccsc3)CC2)nnc1C(C)(C)C ZINC001301618853 1066472014 /nfs/dbraw/zinc/47/20/14/1066472014.db2.gz QKMQBRRYOCOQJZ-UHFFFAOYSA-N 1 0 462.664 3.004 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001302069461 1066473935 /nfs/dbraw/zinc/47/39/35/1066473935.db2.gz VPMXCPYIBYQQQF-QFIPXVFZSA-N 1 0 496.660 3.168 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCCC1(F)F ZINC001302070347 1066474722 /nfs/dbraw/zinc/47/47/22/1066474722.db2.gz ATYBXFBWZYFXIB-PCCBWWKXSA-N 1 0 485.620 3.376 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001302070925 1066477509 /nfs/dbraw/zinc/47/75/09/1066477509.db2.gz FHDPHHAREACVNH-NMLBUPMWSA-N 1 0 463.648 3.372 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302071698 1066480503 /nfs/dbraw/zinc/48/05/03/1066480503.db2.gz PHYHXBGSEXQCPI-RTWAWAEBSA-N 1 0 492.709 3.207 20 0 JGADRO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001301627159 1066485083 /nfs/dbraw/zinc/48/50/83/1066485083.db2.gz NDZBKMZJVQIAMQ-PHQPFNMISA-N 1 0 466.630 3.268 20 0 JGADRO CC(=O)c1ccc(N2CCN(c3nnc(C(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)CC2)c(F)c1 ZINC001301627778 1066486100 /nfs/dbraw/zinc/48/61/00/1066486100.db2.gz OQFQFFQCTLMUEB-IBGZPJMESA-N 1 0 472.609 3.038 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCO1 ZINC001302074195 1066486285 /nfs/dbraw/zinc/48/62/85/1066486285.db2.gz ZXVKHESTZJBQLU-SIKLNZKXSA-N 1 0 461.582 3.033 20 0 JGADRO COCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001301628927 1066488825 /nfs/dbraw/zinc/48/88/25/1066488825.db2.gz WNNOXMJRQWHKHS-MRXNPFEDSA-N 1 0 465.440 3.393 20 0 JGADRO CC(C)(C)c1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302077443 1066489285 /nfs/dbraw/zinc/48/92/85/1066489285.db2.gz NSFJXZGPOFBZEF-JTHBVZDNSA-N 1 0 482.673 3.069 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1(C)OCCc2sccc21 ZINC001302077952 1066490507 /nfs/dbraw/zinc/49/05/07/1066490507.db2.gz DKRHNVPVCSPZQC-MBSDFSHPSA-N 1 0 463.648 3.082 20 0 JGADRO CC(C)(C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001302078770 1066492644 /nfs/dbraw/zinc/49/26/44/1066492644.db2.gz BSRLHILJLJVYNL-UHFFFAOYSA-N 1 0 487.737 3.366 20 0 JGADRO CC(C)(C)c1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302079061 1066493430 /nfs/dbraw/zinc/49/34/30/1066493430.db2.gz WGYSLEFLNNXUMZ-QZTJIDSGSA-N 1 0 483.583 3.479 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001302079677 1066494404 /nfs/dbraw/zinc/49/44/04/1066494404.db2.gz LYKAKNZGIFEIFN-KRWDZBQOSA-N 1 0 494.036 3.396 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(-n2cccn2)cc1 ZINC001302080159 1066496087 /nfs/dbraw/zinc/49/60/87/1066496087.db2.gz OQXHNLBVTQVCFP-FQEVSTJZSA-N 1 0 467.618 3.157 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001301635796 1066499962 /nfs/dbraw/zinc/49/99/62/1066499962.db2.gz WCAVRSPVPIHNAG-UHFFFAOYSA-N 1 0 475.037 3.156 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC001301639347 1066503511 /nfs/dbraw/zinc/50/35/11/1066503511.db2.gz ADBOLAAJCNUQJH-UHFFFAOYSA-N 1 0 474.694 3.206 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001301640328 1066504414 /nfs/dbraw/zinc/50/44/14/1066504414.db2.gz QJNFOWYKLPCSOK-XMMPIXPASA-N 1 0 479.604 3.153 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001301640637 1066504900 /nfs/dbraw/zinc/50/49/00/1066504900.db2.gz VKOHAOQREYWLBT-UHFFFAOYSA-N 1 0 489.064 3.082 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(CCCc3ccccc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001301641191 1066505676 /nfs/dbraw/zinc/50/56/76/1066505676.db2.gz DYHKCGUNYPENND-UHFFFAOYSA-N 1 0 452.647 3.385 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001301647770 1066512193 /nfs/dbraw/zinc/51/21/93/1066512193.db2.gz IYMXFLMNRFJACG-UYAOXDASSA-N 1 0 474.625 3.450 20 0 JGADRO CC(C)(C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CC[NH+]1CCSCC1 ZINC001302087735 1066513138 /nfs/dbraw/zinc/51/31/38/1066513138.db2.gz UBUGENCELHXKOC-UHFFFAOYSA-N 1 0 472.659 3.083 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccn3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301648943 1066514511 /nfs/dbraw/zinc/51/45/11/1066514511.db2.gz GCKZPRPBRCPQAK-FUPPJEDESA-N 1 0 469.678 3.346 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001301650378 1066516624 /nfs/dbraw/zinc/51/66/24/1066516624.db2.gz NUNRDQRSKKYTJW-HWHXTQLESA-N 1 0 453.635 3.155 20 0 JGADRO CC(C)(C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001302090202 1066517231 /nfs/dbraw/zinc/51/72/31/1066517231.db2.gz WVVFFDRITDWOJN-UHFFFAOYSA-N 1 0 482.677 3.052 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCOC1 ZINC001302090442 1066517580 /nfs/dbraw/zinc/51/75/80/1066517580.db2.gz VHAKELVAQPLGGT-MQSCRBSSSA-N 1 0 457.619 3.139 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001301650948 1066517656 /nfs/dbraw/zinc/51/76/56/1066517656.db2.gz QXQZRZOVEUVFCF-XXBNENTESA-N 1 0 467.593 3.030 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(C)cc1F ZINC001302091180 1066518874 /nfs/dbraw/zinc/51/88/74/1066518874.db2.gz AKBQFYIFUOOGAY-PMACEKPBSA-N 1 0 475.609 3.187 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC1(O)CCCCCC1 ZINC001302091640 1066519350 /nfs/dbraw/zinc/51/93/50/1066519350.db2.gz FVTPSAOPKSHRNR-RTWAWAEBSA-N 1 0 463.667 3.398 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccc(F)c(COC)c1 ZINC001302093467 1066521125 /nfs/dbraw/zinc/52/11/25/1066521125.db2.gz VMGFRBCQBNLNQE-RXVVDRJESA-N 1 0 461.582 3.010 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(OC)cc1 ZINC001302093344 1066521173 /nfs/dbraw/zinc/52/11/73/1066521173.db2.gz MNYIPHXUTHEFIW-PMACEKPBSA-N 1 0 457.619 3.370 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C/C=C\c1ccccc1 ZINC001302094860 1066523865 /nfs/dbraw/zinc/52/38/65/1066523865.db2.gz SLVZIVSRPDYOEL-OFZKMZNQSA-N 1 0 469.630 3.405 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001301655998 1066524931 /nfs/dbraw/zinc/52/49/31/1066524931.db2.gz VXSJIUCJHICVKB-REWPJTCUSA-N 1 0 467.662 3.465 20 0 JGADRO CC(C)(C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302096136 1066526665 /nfs/dbraw/zinc/52/66/65/1066526665.db2.gz OVSZVCYFYNKINS-NRFANRHFSA-N 1 0 476.616 3.254 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001301663030 1066535246 /nfs/dbraw/zinc/53/52/46/1066535246.db2.gz HRIHJYRVSMWVKF-UNIVCBNLSA-N 1 0 467.662 3.079 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001301663318 1066536687 /nfs/dbraw/zinc/53/66/87/1066536687.db2.gz VBVSKFXAFODUQY-NOZRDPDXSA-N 1 0 492.672 3.056 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CC[NH+]1CCCCC1 ZINC001302104553 1066539010 /nfs/dbraw/zinc/53/90/10/1066539010.db2.gz DBQUEMWEORIGKB-XMSQKQJNSA-N 1 0 479.572 3.344 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302105116 1066539725 /nfs/dbraw/zinc/53/97/25/1066539725.db2.gz FQIZLRURZWRYIS-LEWJYISDSA-N 1 0 457.619 3.261 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CC[NH+]1CCCC1 ZINC001302105699 1066540964 /nfs/dbraw/zinc/54/09/64/1066540964.db2.gz HFOWXIIUZJNUSB-UTKZUKDTSA-N 1 0 482.000 3.468 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302106056 1066540966 /nfs/dbraw/zinc/54/09/66/1066540966.db2.gz UYWFKHSOHCCAPL-DHIUTWEWSA-N 1 0 493.693 3.289 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCSC(C)(C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302105817 1066540992 /nfs/dbraw/zinc/54/09/92/1066540992.db2.gz QNFRGPUOTKTRHF-OTWHNJEPSA-N 1 0 469.696 3.222 20 0 JGADRO COCCCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCC2)CC1 ZINC001301665960 1066541562 /nfs/dbraw/zinc/54/15/62/1066541562.db2.gz MEENFQWXZMXSIF-UHFFFAOYSA-N 1 0 489.064 3.452 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1CC1([NH+](C)C)CCC1 ZINC001302106784 1066542229 /nfs/dbraw/zinc/54/22/29/1066542229.db2.gz JRJNZWOTMPUYPO-DYESRHJHSA-N 1 0 479.572 3.343 20 0 JGADRO COCCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCCCC2)CC1 ZINC001301666398 1066542766 /nfs/dbraw/zinc/54/27/66/1066542766.db2.gz RYWWSNOVFJYOSV-UHFFFAOYSA-N 1 0 468.646 3.109 20 0 JGADRO O=C(c1ccc(S(=O)(=O)Cc2ccccc2)cc1)N1CCN[C@H](Cc2ccc(F)cc2)C1 ZINC001301667861 1066545102 /nfs/dbraw/zinc/54/51/02/1066545102.db2.gz LOIRUDGKSKDYEQ-HSZRJFAPSA-N 1 0 452.551 3.456 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H](C)[NH+](C)C ZINC001302108905 1066546387 /nfs/dbraw/zinc/54/63/87/1066546387.db2.gz RAQUZHQDWHWQBZ-RCCFBDPRSA-N 1 0 480.679 3.284 20 0 JGADRO CC(=O)N1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001301673463 1066552417 /nfs/dbraw/zinc/55/24/17/1066552417.db2.gz BCBVDAAKFZKLJI-UHFFFAOYSA-N 1 0 473.691 3.203 20 0 JGADRO CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCSCC2)CCO1 ZINC001302112477 1066552949 /nfs/dbraw/zinc/55/29/49/1066552949.db2.gz RWNLZNTYGCMYLH-QGZVFWFLSA-N 1 0 451.040 3.294 20 0 JGADRO CC(=O)N1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC001301674068 1066553614 /nfs/dbraw/zinc/55/36/14/1066553614.db2.gz HJNKZYXTVXZMIS-OYRHEFFESA-N 1 0 488.721 3.451 20 0 JGADRO COCCOC1(Cn2c(C(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC001302120196 1066561138 /nfs/dbraw/zinc/56/11/38/1066561138.db2.gz HGPCYZZLLSJICR-UHFFFAOYSA-N 1 0 463.667 3.316 20 0 JGADRO COCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001301684765 1066567932 /nfs/dbraw/zinc/56/79/32/1066567932.db2.gz ZFNRGMRCAYIYKD-INIZCTEOSA-N 1 0 453.429 3.249 20 0 JGADRO CC(=O)N1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001301689443 1066576114 /nfs/dbraw/zinc/57/61/14/1066576114.db2.gz DVSWEVRQJUIMKB-QHCPKHFHSA-N 1 0 483.661 3.182 20 0 JGADRO COCCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001301691760 1066578579 /nfs/dbraw/zinc/57/85/79/1066578579.db2.gz SAUMAYDSNNTHRI-GOSISDBHSA-N 1 0 496.450 3.156 20 0 JGADRO COCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001301691398 1066578678 /nfs/dbraw/zinc/57/86/78/1066578678.db2.gz NRRAOGLCSIXRPP-UHFFFAOYSA-N 1 0 455.434 3.361 20 0 JGADRO COCCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001301691761 1066579266 /nfs/dbraw/zinc/57/92/66/1066579266.db2.gz SAUMAYDSNNTHRI-SFHVURJKSA-N 1 0 496.450 3.156 20 0 JGADRO COCCN(C)c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001301692665 1066580285 /nfs/dbraw/zinc/58/02/85/1066580285.db2.gz RNGGZVHQOLELCW-GJZGRUSLSA-N 1 0 472.453 3.351 20 0 JGADRO CC(C)(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001302135539 1066581391 /nfs/dbraw/zinc/58/13/91/1066581391.db2.gz JQVZYQHOOVFUNF-NRFANRHFSA-N 1 0 468.646 3.091 20 0 JGADRO CC(C)(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001302136947 1066582500 /nfs/dbraw/zinc/58/25/00/1066582500.db2.gz WNWWETRMWWSEAS-NRFANRHFSA-N 1 0 488.702 3.157 20 0 JGADRO COCCN(C)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001301694857 1066582535 /nfs/dbraw/zinc/58/25/35/1066582535.db2.gz SQUZLAXFMSSDDK-KDURUIRLSA-N 1 0 452.603 3.464 20 0 JGADRO CC(C)(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302139347 1066586673 /nfs/dbraw/zinc/58/66/73/1066586673.db2.gz CWCVZTFYFITUIP-NVQXNPDNSA-N 1 0 473.637 3.341 20 0 JGADRO CC(=O)N1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301700331 1066589625 /nfs/dbraw/zinc/58/96/25/1066589625.db2.gz WAKCPGPDLPQGPD-OYRHEFFESA-N 1 0 467.662 3.079 20 0 JGADRO COCCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001301706952 1066596830 /nfs/dbraw/zinc/59/68/30/1066596830.db2.gz SXCVODKKPGGCEC-QHCPKHFHSA-N 1 0 451.619 3.368 20 0 JGADRO COCCN(C)c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001301707260 1066597553 /nfs/dbraw/zinc/59/75/53/1066597553.db2.gz XJVAMOIDTCKQRF-PMACEKPBSA-N 1 0 454.619 3.252 20 0 JGADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C)c(C)s3)C[C@H]2C)CC1 ZINC001301707581 1066598182 /nfs/dbraw/zinc/59/81/82/1066598182.db2.gz DIKUQEVNTQWCOF-DYESRHJHSA-N 1 0 487.718 3.367 20 0 JGADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301708409 1066600482 /nfs/dbraw/zinc/60/04/82/1066600482.db2.gz MNHNLIFFYNHLEH-RCZVLFRGSA-N 1 0 482.673 3.448 20 0 JGADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708420 1066600669 /nfs/dbraw/zinc/60/06/69/1066600669.db2.gz MQHOYFKZFGVHLG-IFMALSPDSA-N 1 0 462.683 3.017 20 0 JGADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3CCc3ccsc3)C[C@H]2C)CC1 ZINC001301708486 1066601186 /nfs/dbraw/zinc/60/11/86/1066601186.db2.gz NVIQPGGEOQJHKF-KNQAVFIVSA-N 1 0 458.676 3.160 20 0 JGADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708733 1066602150 /nfs/dbraw/zinc/60/21/50/1066602150.db2.gz PSCSXEGZXYVYQH-FYYLOGMGSA-N 1 0 462.683 3.233 20 0 JGADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(F)c3)C[C@@H]2C)CC1 ZINC001301709355 1066602699 /nfs/dbraw/zinc/60/26/99/1066602699.db2.gz UDPPRMWERCTHST-PGRDOPGGSA-N 1 0 456.610 3.142 20 0 JGADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCCCS3)C[C@@H]2C)CC1 ZINC001301709377 1066602741 /nfs/dbraw/zinc/60/27/41/1066602741.db2.gz UQTJDSIRTPBQSX-ILWGZMRPSA-N 1 0 462.708 3.141 20 0 JGADRO COCCO[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001302151542 1066602775 /nfs/dbraw/zinc/60/27/75/1066602775.db2.gz MBECGDFWONOLEN-PZJWPPBQSA-N 1 0 456.616 3.336 20 0 JGADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC4CCCC4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001301709652 1066603713 /nfs/dbraw/zinc/60/37/13/1066603713.db2.gz VPAAXHVZKARLPO-REWPJTCUSA-N 1 0 474.694 3.205 20 0 JGADRO COCCO[C@H]1CCCN(c2nnc(-c3ccc4ccccc4n3)n2CC[N@H+](C)C(C)C)C1 ZINC001302152194 1066604643 /nfs/dbraw/zinc/60/46/43/1066604643.db2.gz PHRJBGSVJKXHGT-NRFANRHFSA-N 1 0 452.603 3.465 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001301712649 1066609241 /nfs/dbraw/zinc/60/92/41/1066609241.db2.gz GUQTVBSPUUORBO-QGZVFWFLSA-N 1 0 461.916 3.334 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001301713291 1066611719 /nfs/dbraw/zinc/61/17/19/1066611719.db2.gz KGWCFGBNYAARAB-SIKLNZKXSA-N 1 0 475.659 3.086 20 0 JGADRO COCCO[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001302156852 1066611817 /nfs/dbraw/zinc/61/18/17/1066611817.db2.gz MCEXOCMDPXPKET-HSZRJFAPSA-N 1 0 459.610 3.372 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001301713408 1066612485 /nfs/dbraw/zinc/61/24/85/1066612485.db2.gz LMGNYBYWVCZVSU-AWEZNQCLSA-N 1 0 475.382 3.486 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(C(=O)OC)CC1 ZINC001301714325 1066614968 /nfs/dbraw/zinc/61/49/68/1066614968.db2.gz RPJJDFMXFKZRPN-SFHVURJKSA-N 1 0 489.686 3.489 20 0 JGADRO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001301714288 1066615445 /nfs/dbraw/zinc/61/54/45/1066615445.db2.gz XOXDNCGHGUYFEL-RBUKOAKNSA-N 1 0 472.609 3.489 20 0 JGADRO COCCO[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001302159138 1066615496 /nfs/dbraw/zinc/61/54/96/1066615496.db2.gz JSTUWFTVINCQNK-NFBKMPQASA-N 1 0 451.681 3.080 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCc2oncc2C1 ZINC001301714688 1066616713 /nfs/dbraw/zinc/61/67/13/1066616713.db2.gz VQIQUTZIGOUDFW-UHFFFAOYSA-N 1 0 493.381 3.366 20 0 JGADRO CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001301716820 1066618728 /nfs/dbraw/zinc/61/87/28/1066618728.db2.gz NPHBODXAYYBBLA-HSZRJFAPSA-N 1 0 453.652 3.247 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001301717198 1066619254 /nfs/dbraw/zinc/61/92/54/1066619254.db2.gz OMPOPBAPNJAGDP-CYFREDJKSA-N 1 0 478.037 3.341 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001301717805 1066619317 /nfs/dbraw/zinc/61/93/17/1066619317.db2.gz VQTAOKMBOYXVDO-JOCHJYFZSA-N 1 0 472.540 3.165 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001301718028 1066619994 /nfs/dbraw/zinc/61/99/94/1066619994.db2.gz ZKNHTKYJBYGTME-RUZDIDTESA-N 1 0 450.587 3.060 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C(C)C ZINC001301718116 1066620121 /nfs/dbraw/zinc/62/01/21/1066620121.db2.gz BOEYGENMWCSSIQ-SFTDATJTSA-N 1 0 494.681 3.180 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001301718475 1066620542 /nfs/dbraw/zinc/62/05/42/1066620542.db2.gz GFBUVDCGVGVTQJ-FXAWDEMLSA-N 1 0 465.545 3.240 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001301719742 1066621857 /nfs/dbraw/zinc/62/18/57/1066621857.db2.gz WGTTXAAUEMLBDF-GOTSBHOMSA-N 1 0 457.619 3.108 20 0 JGADRO COCCOC1CCN(c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001302162475 1066622358 /nfs/dbraw/zinc/62/23/58/1066622358.db2.gz KYMDHDZWEYKNIV-UHFFFAOYSA-N 1 0 471.646 3.038 20 0 JGADRO COCCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001302163130 1066623307 /nfs/dbraw/zinc/62/33/07/1066623307.db2.gz YVJACOWYMGWKJU-PKTZIBPZSA-N 1 0 471.646 3.108 20 0 JGADRO COCCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001302163127 1066623388 /nfs/dbraw/zinc/62/33/88/1066623388.db2.gz YVJACOWYMGWKJU-DHIUTWEWSA-N 1 0 471.646 3.108 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001301720573 1066623753 /nfs/dbraw/zinc/62/37/53/1066623753.db2.gz ABLCMNKLSGPZFB-IBGZPJMESA-N 1 0 460.941 3.302 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001301720590 1066623879 /nfs/dbraw/zinc/62/38/79/1066623879.db2.gz AQFAFBBRGZCLAD-UHFFFAOYSA-N 1 0 481.414 3.103 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2([NH+](C)C)CCSC2)[C@@H](C)C1 ZINC001301720778 1066624229 /nfs/dbraw/zinc/62/42/29/1066624229.db2.gz GDGMFZHPTRAPOS-QMHKHESXSA-N 1 0 494.612 3.041 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C1 ZINC001301721874 1066627641 /nfs/dbraw/zinc/62/76/41/1066627641.db2.gz NDSRKDWWWLZNAR-IIBYNOLFSA-N 1 0 485.995 3.493 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C1 ZINC001301721873 1066627777 /nfs/dbraw/zinc/62/77/77/1066627777.db2.gz NDSRKDWWWLZNAR-IERDGZPVSA-N 1 0 485.995 3.493 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001301722068 1066629045 /nfs/dbraw/zinc/62/90/45/1066629045.db2.gz NEZFOQOALUPULX-ZDUSSCGKSA-N 1 0 479.345 3.393 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001301722467 1066630308 /nfs/dbraw/zinc/63/03/08/1066630308.db2.gz QZOWLBVIUSFILM-MRXNPFEDSA-N 1 0 467.456 3.497 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001301723005 1066632801 /nfs/dbraw/zinc/63/28/01/1066632801.db2.gz UHUHGJBGSLIIGC-WTGUMLROSA-N 1 0 464.655 3.252 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C)[C@H]1C ZINC001301723007 1066632865 /nfs/dbraw/zinc/63/28/65/1066632865.db2.gz UHUHGJBGSLIIGC-ZGXWSNOMSA-N 1 0 464.655 3.252 20 0 JGADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001302167168 1066632783 /nfs/dbraw/zinc/63/27/83/1066632783.db2.gz XTTRMPWBLRLPOY-IBGZPJMESA-N 1 0 466.621 3.437 20 0 JGADRO COCCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001302167249 1066633612 /nfs/dbraw/zinc/63/36/12/1066633612.db2.gz QLAJERKMHKPXAS-GOSISDBHSA-N 1 0 495.466 3.399 20 0 JGADRO COCC[N@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001301723264 1066634031 /nfs/dbraw/zinc/63/40/31/1066634031.db2.gz XTANJTZUHOQUMB-QGZVFWFLSA-N 1 0 487.004 3.313 20 0 JGADRO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001302167581 1066634888 /nfs/dbraw/zinc/63/48/88/1066634888.db2.gz YOFTZRCXTDBWEE-HZPDHXFCSA-N 1 0 484.464 3.351 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OCC[NH+](C)C)[C@@H](C)C1 ZINC001301723488 1066634873 /nfs/dbraw/zinc/63/48/73/1066634873.db2.gz ZPWNZJSIZQMLJY-SFHVURJKSA-N 1 0 498.031 3.039 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001301724262 1066635988 /nfs/dbraw/zinc/63/59/88/1066635988.db2.gz MKPHGTUOTOFYQS-UHFFFAOYSA-N 1 0 475.435 3.108 20 0 JGADRO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001302168232 1066636031 /nfs/dbraw/zinc/63/60/31/1066636031.db2.gz BOJWMUOBXAOMIJ-VGSWGCGISA-N 1 0 484.041 3.417 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC001301724861 1066638341 /nfs/dbraw/zinc/63/83/41/1066638341.db2.gz KADRATUVERKNEG-SFTDATJTSA-N 1 0 482.673 3.268 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001301725280 1066639005 /nfs/dbraw/zinc/63/90/05/1066639005.db2.gz BHBJGJYMERYAKX-UHFFFAOYSA-N 1 0 492.949 3.390 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001301725720 1066641036 /nfs/dbraw/zinc/64/10/36/1066641036.db2.gz JOGRPCAWGILLJN-GOTSBHOMSA-N 1 0 471.646 3.205 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001301726893 1066643749 /nfs/dbraw/zinc/64/37/49/1066643749.db2.gz WYFULAOQJBPGFF-MHZLTWQESA-N 1 0 484.689 3.122 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001301727636 1066644884 /nfs/dbraw/zinc/64/48/84/1066644884.db2.gz IBPVZASCBMPAFG-OAQYLSRUSA-N 1 0 473.515 3.192 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(Br)cc1 ZINC001301727354 1066645006 /nfs/dbraw/zinc/64/50/06/1066645006.db2.gz CARUSDAVJPQPND-UHFFFAOYSA-N 1 0 459.392 3.317 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CC=C(COC)CC1 ZINC001301727826 1066645724 /nfs/dbraw/zinc/64/57/24/1066645724.db2.gz KXYIEVUAWXEQLF-UHFFFAOYSA-N 1 0 464.408 3.069 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001301727951 1066646461 /nfs/dbraw/zinc/64/64/61/1066646461.db2.gz PEERPLVJZSZPGN-UHFFFAOYSA-N 1 0 490.624 3.404 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001301728332 1066647228 /nfs/dbraw/zinc/64/72/28/1066647228.db2.gz ZGKHEDIYUNAORS-UHFFFAOYSA-N 1 0 498.531 3.364 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001301729788 1066647873 /nfs/dbraw/zinc/64/78/73/1066647873.db2.gz KZLQREQALRSTJA-RUZDIDTESA-N 1 0 467.618 3.104 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001301729811 1066648634 /nfs/dbraw/zinc/64/86/34/1066648634.db2.gz LZEXSPLQETUHFM-OAHLLOKOSA-N 1 0 496.563 3.173 20 0 JGADRO COCCOC1CCN(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001302175247 1066648730 /nfs/dbraw/zinc/64/87/30/1066648730.db2.gz VCSCBSVSBMZPNT-UHFFFAOYSA-N 1 0 478.037 3.341 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001301730535 1066649260 /nfs/dbraw/zinc/64/92/60/1066649260.db2.gz BLAMGIZXYSKLEU-UHFFFAOYSA-N 1 0 478.956 3.013 20 0 JGADRO COCC[N@H+](C)CCn1c(C2CCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001301730920 1066649891 /nfs/dbraw/zinc/64/98/91/1066649891.db2.gz GGMXAIKBAWXFDP-UHFFFAOYSA-N 1 0 468.433 3.152 20 0 JGADRO COCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001301731109 1066650631 /nfs/dbraw/zinc/65/06/31/1066650631.db2.gz JZTNHDZAHMJKBP-LEWJYISDSA-N 1 0 464.010 3.329 20 0 JGADRO COCCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001302176876 1066651886 /nfs/dbraw/zinc/65/18/86/1066651886.db2.gz WNKVQAAPOCGMAT-CTNGQTDRSA-N 1 0 456.616 3.255 20 0 JGADRO COCC[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001301732124 1066652005 /nfs/dbraw/zinc/65/20/05/1066652005.db2.gz REPSAGJKUQYOLG-BGYRXZFFSA-N 1 0 478.682 3.453 20 0 JGADRO COCC[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301732897 1066653313 /nfs/dbraw/zinc/65/33/13/1066653313.db2.gz WTBVAGPOJYPHFN-LJQANCHMSA-N 1 0 450.628 3.007 20 0 JGADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1Cl ZINC001302177996 1066653685 /nfs/dbraw/zinc/65/36/85/1066653685.db2.gz LNCDMVOAADPYCS-LJQANCHMSA-N 1 0 450.004 3.027 20 0 JGADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CC[NH2+][C@@H](Cc4ccccc4)C3)c2)C1 ZINC001302178578 1066653723 /nfs/dbraw/zinc/65/37/23/1066653723.db2.gz WKDRNBWKENBIQO-MZKRTTBSSA-N 1 0 455.624 3.010 20 0 JGADRO COCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001301734962 1066656688 /nfs/dbraw/zinc/65/66/88/1066656688.db2.gz TZIKGMBZLFZMEH-HXUWFJFHSA-N 1 0 492.596 3.068 20 0 JGADRO COCC[N@H+](C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001301735801 1066658114 /nfs/dbraw/zinc/65/81/14/1066658114.db2.gz DVAHXISAORYRBG-QFIPXVFZSA-N 1 0 471.646 3.184 20 0 JGADRO COCCOC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001302180452 1066658268 /nfs/dbraw/zinc/65/82/68/1066658268.db2.gz ZKVMRQUMAAEFHY-VWNXMTODSA-N 1 0 471.646 3.415 20 0 JGADRO COCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001301736296 1066658786 /nfs/dbraw/zinc/65/87/86/1066658786.db2.gz JXOAAJZTXRSGGB-NRFANRHFSA-N 1 0 459.591 3.226 20 0 JGADRO COCC[N@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001301736468 1066658867 /nfs/dbraw/zinc/65/88/67/1066658867.db2.gz MLNJTZHYHMMBOB-UHFFFAOYSA-N 1 0 468.627 3.120 20 0 JGADRO CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC001301738514 1066660085 /nfs/dbraw/zinc/66/00/85/1066660085.db2.gz SRFPCVRNZKIBPC-YGWSKSRPSA-N 1 0 457.615 3.477 20 0 JGADRO COCC[N@H+](C)CCn1c(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001301739533 1066660796 /nfs/dbraw/zinc/66/07/96/1066660796.db2.gz AIRGGGAARSGGPU-RTBURBONSA-N 1 0 466.671 3.283 20 0 JGADRO COCC[N@H+](C)CCn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001301739976 1066660952 /nfs/dbraw/zinc/66/09/52/1066660952.db2.gz GYALVBHSGYUDJT-LOSJGSFVSA-N 1 0 461.651 3.224 20 0 JGADRO COCC[N@H+](C)CCn1c(N2CCc3cccc(Br)c3C2)nnc1C(C)(C)C ZINC001301740453 1066662053 /nfs/dbraw/zinc/66/20/53/1066662053.db2.gz KVTVBPUAGZZJCY-UHFFFAOYSA-N 1 0 450.425 3.479 20 0 JGADRO CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001302186389 1066665884 /nfs/dbraw/zinc/66/58/84/1066665884.db2.gz 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CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CC=CCC2)C1 ZINC001302252614 1066790939 /nfs/dbraw/zinc/79/09/39/1066790939.db2.gz FHJGALHJQWALIF-WOJBJXKFSA-N 1 0 460.623 3.133 20 0 JGADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001302252742 1066791886 /nfs/dbraw/zinc/79/18/86/1066791886.db2.gz GJKBHAQHWUWWNU-NRFANRHFSA-N 1 0 484.645 3.409 20 0 JGADRO COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001301828305 1066793897 /nfs/dbraw/zinc/79/38/97/1066793897.db2.gz YGOWFBXQEROCHV-QHCPKHFHSA-N 1 0 454.663 3.494 20 0 JGADRO COCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001301828306 1066794103 /nfs/dbraw/zinc/79/41/03/1066794103.db2.gz YGVHTRMUADLINC-UHFFFAOYSA-N 1 0 488.434 3.108 20 0 JGADRO CC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001301828563 1066794376 /nfs/dbraw/zinc/79/43/76/1066794376.db2.gz JQWQEXFOWUTEFJ-QFIPXVFZSA-N 1 0 468.646 3.127 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001301828976 1066794430 /nfs/dbraw/zinc/79/44/30/1066794430.db2.gz QZQAYWOUOLRRJY-IRLDBZIGSA-N 1 0 470.618 3.477 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301829556 1066794867 /nfs/dbraw/zinc/79/48/67/1066794867.db2.gz OMNSOFBKPMKYBN-ZFGGDYGUSA-N 1 0 452.647 3.289 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001301830061 1066795952 /nfs/dbraw/zinc/79/59/52/1066795952.db2.gz YDTIEFBABVTANZ-NFBKMPQASA-N 1 0 453.635 3.023 20 0 JGADRO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001301831171 1066797393 /nfs/dbraw/zinc/79/73/93/1066797393.db2.gz CMJYXEYXRIKHJO-NRFANRHFSA-N 1 0 475.037 3.491 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+](C)C)C1 ZINC001301831604 1066797880 /nfs/dbraw/zinc/79/78/80/1066797880.db2.gz FIECXMSRVDNQPZ-WMLDXEAASA-N 1 0 469.417 3.219 20 0 JGADRO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001301835363 1066803396 /nfs/dbraw/zinc/80/33/96/1066803396.db2.gz NLVOHNQWJUEJGF-NRFANRHFSA-N 1 0 495.672 3.373 20 0 JGADRO CC(=O)NC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001301835844 1066804547 /nfs/dbraw/zinc/80/45/47/1066804547.db2.gz BGMJWBIUJQXNBS-UHFFFAOYSA-N 1 0 492.466 3.405 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302259034 1066804724 /nfs/dbraw/zinc/80/47/24/1066804724.db2.gz FLQWDDYGTAPHLH-IZBOUPIGSA-N 1 0 475.609 3.449 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCc2cnccn2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001302260119 1066807460 /nfs/dbraw/zinc/80/74/60/1066807460.db2.gz YYPHCKFQTKRPPW-FKEBYFGASA-N 1 0 485.677 3.228 20 0 JGADRO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301839386 1066810601 /nfs/dbraw/zinc/81/06/01/1066810601.db2.gz NUKBPJJNNWNXAB-DLBZAZTESA-N 1 0 460.026 3.219 20 0 JGADRO CC(C)(C)OC(=O)NCCCCn1c(C2CCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001302263166 1066811376 /nfs/dbraw/zinc/81/13/76/1066811376.db2.gz JCCQVRUZOUDXGX-UHFFFAOYSA-N 1 0 462.639 3.152 20 0 JGADRO COCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001301840503 1066811661 /nfs/dbraw/zinc/81/16/61/1066811661.db2.gz IZSHLJWZSWJAPH-UHFFFAOYSA-N 1 0 466.552 3.068 20 0 JGADRO COCCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001301841132 1066812610 /nfs/dbraw/zinc/81/26/10/1066812610.db2.gz GIWXIOVUIRXDSS-UHFFFAOYSA-N 1 0 452.397 3.044 20 0 JGADRO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001301844221 1066816958 /nfs/dbraw/zinc/81/69/58/1066816958.db2.gz HEYGASOKILVWIY-FQEVSTJZSA-N 1 0 473.672 3.103 20 0 JGADRO CC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC001301844422 1066817380 /nfs/dbraw/zinc/81/73/80/1066817380.db2.gz VLJFFBUCBBISRI-UHFFFAOYSA-N 1 0 462.708 3.333 20 0 JGADRO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301845033 1066818567 /nfs/dbraw/zinc/81/85/67/1066818567.db2.gz PLKVOVLRZIBAFZ-MZNJEOGPSA-N 1 0 473.691 3.249 20 0 JGADRO CC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001301845557 1066819632 /nfs/dbraw/zinc/81/96/32/1066819632.db2.gz WEEVBYKSOLYYBK-SFHVURJKSA-N 1 0 459.038 3.359 20 0 JGADRO COCCn1cc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC001301850213 1066824492 /nfs/dbraw/zinc/82/44/92/1066824492.db2.gz OBMSWSMJHSOTNB-UHFFFAOYSA-N 1 0 455.607 3.294 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCCCC[NH+]1CCCC1 ZINC001302273383 1066833944 /nfs/dbraw/zinc/83/39/44/1066833944.db2.gz LIHPCNOOKSTYJA-HAGHYFMRSA-N 1 0 489.583 3.424 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301857969 1066839947 /nfs/dbraw/zinc/83/99/47/1066839947.db2.gz MSHFNOQKCCOQLP-IRLDBZIGSA-N 1 0 453.635 3.121 20 0 JGADRO CC(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001301860066 1066844779 /nfs/dbraw/zinc/84/47/79/1066844779.db2.gz YKZSWTFYFDTLDP-OAQYLSRUSA-N 1 0 452.647 3.377 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001302277668 1066845457 /nfs/dbraw/zinc/84/54/57/1066845457.db2.gz JVCDFGKHEFADOE-PJKILVJMSA-N 1 0 471.646 3.475 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(C)C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001302279992 1066847976 /nfs/dbraw/zinc/84/79/76/1066847976.db2.gz ROZZAEHVIXTJEH-URVUXULASA-N 1 0 463.667 3.374 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301863235 1066850757 /nfs/dbraw/zinc/85/07/57/1066850757.db2.gz GHOTZMIPTMABSL-ILWGZMRPSA-N 1 0 460.667 3.383 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001301863375 1066851347 /nfs/dbraw/zinc/85/13/47/1066851347.db2.gz HDBPQTIHTDYLKE-OYDLWJJNSA-N 1 0 468.646 3.045 20 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3.046 20 0 JGADRO CC(=O)NC[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001301873699 1066873216 /nfs/dbraw/zinc/87/32/16/1066873216.db2.gz ZFHZBTJVHOKTOK-BVAGGSTKSA-N 1 0 484.714 3.243 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC001301873984 1066873960 /nfs/dbraw/zinc/87/39/60/1066873960.db2.gz CPYUINLEPQAAGP-QGZVFWFLSA-N 1 0 484.567 3.311 20 0 JGADRO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001301874277 1066874921 /nfs/dbraw/zinc/87/49/21/1066874921.db2.gz GYYWDPWRAHHMRA-HSZRJFAPSA-N 1 0 497.688 3.180 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001301876456 1066877981 /nfs/dbraw/zinc/87/79/81/1066877981.db2.gz WJAWCHIZMRJCJQ-AWEZNQCLSA-N 1 0 460.570 3.451 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C2CC(C(C)(C)C)C2)C[C@@H]1C ZINC001301876617 1066878104 /nfs/dbraw/zinc/87/81/04/1066878104.db2.gz GEHYNYXPAOFNIB-CBXLAJNBSA-N 1 0 463.667 3.473 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCCC2)CC1 ZINC001301878734 1066882891 /nfs/dbraw/zinc/88/28/91/1066882891.db2.gz FMXUKEQZTUZBFL-IBGZPJMESA-N 1 0 472.609 3.396 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCC[NH+]1CCCC1 ZINC001302299211 1066883351 /nfs/dbraw/zinc/88/33/51/1066883351.db2.gz DJXGAUANTOHIST-FHWLQOOXSA-N 1 0 475.556 3.036 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001301878921 1066883428 /nfs/dbraw/zinc/88/34/28/1066883428.db2.gz HPNGGNHOSWZFNB-GOSISDBHSA-N 1 0 474.625 3.498 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302300102 1066884232 /nfs/dbraw/zinc/88/42/32/1066884232.db2.gz HWFSUVRZSQTFBM-AZXNSQLWSA-N 1 0 481.707 3.223 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301880217 1066885211 /nfs/dbraw/zinc/88/52/11/1066885211.db2.gz QRJCDESVLVZURF-BGYRXZFFSA-N 1 0 453.635 3.061 20 0 JGADRO CC(C)(C)OC1CCN(c2nnc(-c3cccnc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001302300706 1066885362 /nfs/dbraw/zinc/88/53/62/1066885362.db2.gz RWMJOSRLLIZVEL-NRFANRHFSA-N 1 0 456.635 3.361 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCCCCC2)C[C@H]1C ZINC001301881112 1066887237 /nfs/dbraw/zinc/88/72/37/1066887237.db2.gz CBIPZJTXUMHYJR-HXUWFJFHSA-N 1 0 487.645 3.205 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001301881188 1066887640 /nfs/dbraw/zinc/88/76/40/1066887640.db2.gz XRARIMXHYOKQFU-INIZCTEOSA-N 1 0 492.466 3.120 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001302302213 1066887739 /nfs/dbraw/zinc/88/77/39/1066887739.db2.gz BBLTYZVMOFWPLP-MHTWAQMVSA-N 1 0 451.681 3.456 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001301881390 1066888450 /nfs/dbraw/zinc/88/84/50/1066888450.db2.gz FNCQISKJLOPHKT-HNNXBMFYSA-N 1 0 497.497 3.343 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccs2)C[C@@H]1C ZINC001301882640 1066890344 /nfs/dbraw/zinc/89/03/44/1066890344.db2.gz QQWLFVQTDFHCFA-HNNXBMFYSA-N 1 0 479.448 3.497 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC2(C)C)C[C@H]1C ZINC001301882730 1066890405 /nfs/dbraw/zinc/89/04/05/1066890405.db2.gz SQIMBTYTROPQMS-CVEARBPZSA-N 1 0 465.440 3.249 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCc1csc(C)n1 ZINC001302303844 1066891449 /nfs/dbraw/zinc/89/14/49/1066891449.db2.gz NYINYKZMSHYXRF-ICSRJNTNSA-N 1 0 462.664 3.320 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOc2ncccc2F)C[C@@H]1C ZINC001301883694 1066892256 /nfs/dbraw/zinc/89/22/56/1066892256.db2.gz ZXQVAXCIJUPUNE-KRWDZBQOSA-N 1 0 474.968 3.369 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C)Oc1cccc(OC)c1 ZINC001302304789 1066892709 /nfs/dbraw/zinc/89/27/09/1066892709.db2.gz BKNVMJRNBWIPQE-JTAQYXEDSA-N 1 0 487.645 3.399 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCC(C)(C)COC ZINC001302305182 1066893754 /nfs/dbraw/zinc/89/37/54/1066893754.db2.gz KSBCPHQXZHFFIY-PMACEKPBSA-N 1 0 451.656 3.375 20 0 JGADRO COCCN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001301885254 1066894009 /nfs/dbraw/zinc/89/40/09/1066894009.db2.gz HKQYUCMYLYAZFJ-SFHVURJKSA-N 1 0 488.702 3.014 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1C ZINC001301886362 1066897388 /nfs/dbraw/zinc/89/73/88/1066897388.db2.gz WHQIJBUPRGLSIO-WHSLLNHNSA-N 1 0 498.491 3.477 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@H]3CCCCO3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301886950 1066898389 /nfs/dbraw/zinc/89/83/89/1066898389.db2.gz NFZURYBVRGMLCS-NFBKMPQASA-N 1 0 460.667 3.384 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2cccc(C)n2)C[C@H]1C ZINC001301887786 1066901572 /nfs/dbraw/zinc/90/15/72/1066901572.db2.gz KZVNQEHFGHFNPZ-HXUWFJFHSA-N 1 0 480.613 3.065 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)COCCO2)C[C@@H]1C ZINC001301887985 1066902088 /nfs/dbraw/zinc/90/20/88/1066902088.db2.gz LBKNEPODVDNEGX-FNZWTVRRSA-N 1 0 471.646 3.205 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(C)COCCO2)C[C@@H]1C ZINC001301887988 1066902181 /nfs/dbraw/zinc/90/21/81/1066902181.db2.gz LBKNEPODVDNEGX-RXFWQSSRSA-N 1 0 471.646 3.205 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)C)CC2)n1CCOc1ccc(Cl)cc1 ZINC001302309705 1066902320 /nfs/dbraw/zinc/90/23/20/1066902320.db2.gz ZUKBMZIFRHJLGO-RXVVDRJESA-N 1 0 464.010 3.265 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OC)cc2OC)C[C@H]1C ZINC001301888391 1066903882 /nfs/dbraw/zinc/90/38/82/1066903882.db2.gz NRSKKGQIOCGZFW-GOSISDBHSA-N 1 0 469.586 3.263 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccnc(OC(F)F)c2)C[C@H]1C ZINC001301888404 1066903915 /nfs/dbraw/zinc/90/39/15/1066903915.db2.gz NYWSQMPFFBHMGZ-OAHLLOKOSA-N 1 0 462.501 3.048 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001301888424 1066904517 /nfs/dbraw/zinc/90/45/17/1066904517.db2.gz ONAGEYFVBIGFTF-INIZCTEOSA-N 1 0 460.966 3.131 20 0 JGADRO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCCC2)CC1=O ZINC001301889125 1066906062 /nfs/dbraw/zinc/90/60/62/1066906062.db2.gz UKOIMODDQPQYNR-UHFFFAOYSA-N 1 0 475.037 3.158 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2CCCO2)C[C@H]1C ZINC001301889119 1066906332 /nfs/dbraw/zinc/90/63/32/1066906332.db2.gz UHFSGRGYJUAKFK-IEBWSBKVSA-N 1 0 478.435 3.352 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCOc1ccccc1C ZINC001302312137 1066907187 /nfs/dbraw/zinc/90/71/87/1066907187.db2.gz PHQYTGBSPZBGIR-GMAHTHKFSA-N 1 0 457.619 3.168 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](C)Oc1ccccc1 ZINC001302312675 1066908374 /nfs/dbraw/zinc/90/83/74/1066908374.db2.gz YXKIBOFHSRDSGD-FUDKSRODSA-N 1 0 457.619 3.248 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@](C)(O)C(C)C)C[C@H]1C ZINC001301889813 1066909189 /nfs/dbraw/zinc/90/91/89/1066909189.db2.gz CZIKEZOFGHFCSK-CLOONOSVSA-N 1 0 452.603 3.057 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC(F)(F)F)C[C@@H]1C ZINC001301890129 1066909633 /nfs/dbraw/zinc/90/96/33/1066909633.db2.gz HQQMTEMCXWGZAV-ZDUSSCGKSA-N 1 0 462.314 3.427 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(CCc3ccccc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001301890634 1066910263 /nfs/dbraw/zinc/91/02/63/1066910263.db2.gz MIHRYKWADVSEAN-HSZRJFAPSA-N 1 0 464.614 3.312 20 0 JGADRO COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001301891493 1066910670 /nfs/dbraw/zinc/91/06/70/1066910670.db2.gz ORECPYJWEJZGDV-NRFANRHFSA-N 1 0 470.643 3.087 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSC(C)(C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001302315819 1066913074 /nfs/dbraw/zinc/91/30/74/1066913074.db2.gz VGCVZDDHXOCHDC-UFYCRDLUSA-N 1 0 451.681 3.454 20 0 JGADRO CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001302316440 1066914260 /nfs/dbraw/zinc/91/42/60/1066914260.db2.gz SGDQNEIDJBSQRN-SFHVURJKSA-N 1 0 481.066 3.271 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CC(C)(C)C[NH+](C)C ZINC001302317237 1066914975 /nfs/dbraw/zinc/91/49/75/1066914975.db2.gz VOAGJXXHAUJGNH-WWNPGLIZSA-N 1 0 487.645 3.176 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302319831 1066916187 /nfs/dbraw/zinc/91/61/87/1066916187.db2.gz DMCNITGJNOEJBF-GPHNJDIKSA-N 1 0 459.660 3.442 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CCCCc2nc(C)cs2)C[C@H]1C ZINC001301896321 1066919230 /nfs/dbraw/zinc/91/92/30/1066919230.db2.gz PYAFNCQRDFEUTJ-LJQANCHMSA-N 1 0 457.648 3.228 20 0 JGADRO COCCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001301896431 1066919736 /nfs/dbraw/zinc/91/97/36/1066919736.db2.gz JQEPWSWSKQTDCT-OAQYLSRUSA-N 1 0 470.643 3.087 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@@H](C)[C@H]2C)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302323284 1066920917 /nfs/dbraw/zinc/92/09/17/1066920917.db2.gz WQDYABUVZZSGNX-SQVLJLFZSA-N 1 0 489.686 3.321 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCCOC(F)(F)F)C[C@H]1C ZINC001301897485 1066921516 /nfs/dbraw/zinc/92/15/16/1066921516.db2.gz XYISVDMFFQEDHP-MRXNPFEDSA-N 1 0 457.497 3.037 20 0 JGADRO COCCN1CCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1=O ZINC001301897602 1066921533 /nfs/dbraw/zinc/92/15/33/1066921533.db2.gz YJPXNWOJPBJWSK-VXKWHMMOSA-N 1 0 482.673 3.307 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(Br)cc2)C[C@H]1C ZINC001301897940 1066921885 /nfs/dbraw/zinc/92/18/85/1066921885.db2.gz FCDUSRZFJAQSLK-QGZVFWFLSA-N 1 0 473.419 3.435 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301898680 1066923318 /nfs/dbraw/zinc/92/33/18/1066923318.db2.gz NKMAPZOYYDCZME-SVFBPWRDSA-N 1 0 487.649 3.076 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(C)ccc2OC(F)F)C[C@@H]1C ZINC001301899246 1066923893 /nfs/dbraw/zinc/92/38/93/1066923893.db2.gz RODHLXBIGYNLLX-KRWDZBQOSA-N 1 0 460.529 3.388 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C3CC3)n2CCc2ccc(Br)s2)C[C@@H]1C ZINC001301899393 1066924250 /nfs/dbraw/zinc/92/42/50/1066924250.db2.gz DROCRYNGUWPPTB-AWEZNQCLSA-N 1 0 454.438 3.379 20 0 JGADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCCC2)CCO1 ZINC001301900955 1066926230 /nfs/dbraw/zinc/92/62/30/1066926230.db2.gz NZMVBMKWYWQBSW-QHCPKHFHSA-N 1 0 468.646 3.070 20 0 JGADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001301901780 1066926935 /nfs/dbraw/zinc/92/69/35/1066926935.db2.gz GINUAXPKHAIDBV-SXWKCWPCSA-N 1 0 482.673 3.351 20 0 JGADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301901777 1066926966 /nfs/dbraw/zinc/92/69/66/1066926966.db2.gz GINUAXPKHAIDBV-MZKRTTBSSA-N 1 0 482.673 3.351 20 0 JGADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001301902287 1066927761 /nfs/dbraw/zinc/92/77/61/1066927761.db2.gz SYKKBSWXIOCNSL-IBGZPJMESA-N 1 0 493.027 3.343 20 0 JGADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3C)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001301903605 1066929447 /nfs/dbraw/zinc/92/94/47/1066929447.db2.gz MRDLGVGTZMQHCL-LADGPHEKSA-N 1 0 468.646 3.105 20 0 JGADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001301904640 1066930418 /nfs/dbraw/zinc/93/04/18/1066930418.db2.gz UGIQIENQXXTLEJ-UGKGYDQZSA-N 1 0 475.037 3.060 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C3CCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001301906726 1066931184 /nfs/dbraw/zinc/93/11/84/1066931184.db2.gz FNHWGYRVHJTITA-RTBURBONSA-N 1 0 464.655 3.206 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001301908243 1066932179 /nfs/dbraw/zinc/93/21/79/1066932179.db2.gz XOBQIIKSRFVLAO-KRWDZBQOSA-N 1 0 482.551 3.477 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001301908895 1066932731 /nfs/dbraw/zinc/93/27/31/1066932731.db2.gz KIOBRASDTCFSES-HKUYNNGSSA-N 1 0 467.536 3.200 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(NC(C)=O)nc2)C[C@@H]1C ZINC001301909452 1066932936 /nfs/dbraw/zinc/93/29/36/1066932936.db2.gz BNBKWUMLVMZTME-SFHVURJKSA-N 1 0 498.031 3.081 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cscc2C(F)(F)F)C[C@H]1C ZINC001301910185 1066934541 /nfs/dbraw/zinc/93/45/41/1066934541.db2.gz USSDPXMDWBOONK-CABCVRRESA-N 1 0 459.538 3.068 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cscc2C(F)(F)F)C[C@H]1C ZINC001301910189 1066934655 /nfs/dbraw/zinc/93/46/55/1066934655.db2.gz USSDPXMDWBOONK-HUUCEWRRSA-N 1 0 459.538 3.068 20 0 JGADRO CC(C)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCCC1 ZINC001302335409 1066935159 /nfs/dbraw/zinc/93/51/59/1066935159.db2.gz VTUYMYDKSSBEQQ-UHFFFAOYSA-N 1 0 475.037 3.334 20 0 JGADRO 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CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001302462059 1067065517 /nfs/dbraw/zinc/06/55/17/1067065517.db2.gz YYKSSDUYXFXZGQ-FCHUYYIVSA-N 1 0 454.619 3.003 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001304021207 1067065539 /nfs/dbraw/zinc/06/55/39/1067065539.db2.gz RGZHXYOFLRBYCB-UMTXDNHDSA-N 1 0 498.672 3.093 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304022456 1067066635 /nfs/dbraw/zinc/06/66/35/1067066635.db2.gz CYODCYNMZVKOQK-CTNGQTDRSA-N 1 0 468.646 3.434 20 0 JGADRO CC(C)C(=O)NCCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001302462651 1067066790 /nfs/dbraw/zinc/06/67/90/1067066790.db2.gz MSJSSTSRXBFBLP-QGZVFWFLSA-N 1 0 493.425 3.293 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2cnnn2C)c1C ZINC001304025289 1067070782 /nfs/dbraw/zinc/07/07/82/1067070782.db2.gz VAYLMXCQYWYYMM-IBGZPJMESA-N 1 0 452.607 3.179 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCS(C)(=O)=O)c1C ZINC001304025987 1067072027 /nfs/dbraw/zinc/07/20/27/1067072027.db2.gz KOLZEZNWAOLXRG-NHCUHLMSSA-N 1 0 475.659 3.144 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001304029190 1067077031 /nfs/dbraw/zinc/07/70/31/1067077031.db2.gz KGFSFCDJWBLJEX-FPOVZHCZSA-N 1 0 454.619 3.236 20 0 JGADRO CC(C)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001302476711 1067078351 /nfs/dbraw/zinc/07/83/51/1067078351.db2.gz DSLZQDBNWOTXSJ-NRFANRHFSA-N 1 0 460.667 3.240 20 0 JGADRO CC(C)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001302478323 1067079427 /nfs/dbraw/zinc/07/94/27/1067079427.db2.gz UHFKYTYCKUCHAN-QFIPXVFZSA-N 1 0 451.619 3.216 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCC[N@@H+](C)C(C)C)c1C ZINC001304031934 1067080643 /nfs/dbraw/zinc/08/06/43/1067080643.db2.gz YKBVJYAODRQVGC-YADHBBJMSA-N 1 0 483.661 3.321 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001304032141 1067081295 /nfs/dbraw/zinc/08/12/95/1067081295.db2.gz ZZIHMNUEJVDJSZ-DENIHFKCSA-N 1 0 468.646 3.483 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1C ZINC001304032147 1067081464 /nfs/dbraw/zinc/08/14/64/1067081464.db2.gz ZZIHMNUEJVDJSZ-UGKGYDQZSA-N 1 0 468.646 3.483 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCC(=O)N2)c1C ZINC001304031992 1067081624 /nfs/dbraw/zinc/08/16/24/1067081624.db2.gz YUKJEDQSCPHOET-NHCUHLMSSA-N 1 0 454.619 3.092 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC(C)(C)C[NH+](C)C ZINC001304057249 1067097317 /nfs/dbraw/zinc/09/73/17/1067097317.db2.gz LJMMSYCFHIQCRC-IAGOWNOFSA-N 1 0 493.747 3.465 20 0 JGADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+](C)C ZINC001304057611 1067098904 /nfs/dbraw/zinc/09/89/04/1067098904.db2.gz WZNBWVUJQJOXRV-MRXNPFEDSA-N 1 0 488.683 3.341 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001302502932 1067102367 /nfs/dbraw/zinc/10/23/67/1067102367.db2.gz GYISVLHKZQMKIV-MOPGFXCFSA-N 1 0 453.635 3.200 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001302503934 1067104247 /nfs/dbraw/zinc/10/42/47/1067104247.db2.gz PPDAEAAJSVIEHV-HXUWFJFHSA-N 1 0 482.677 3.377 20 0 JGADRO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)cc2)c1 ZINC001304060741 1067104289 /nfs/dbraw/zinc/10/42/89/1067104289.db2.gz RLRNILKOMASASH-JOCHJYFZSA-N 1 0 457.596 3.087 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001302503968 1067104982 /nfs/dbraw/zinc/10/49/82/1067104982.db2.gz QCQBWKMISGHPCX-UUOWRZLLSA-N 1 0 462.708 3.360 20 0 JGADRO CC(C)[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302506248 1067108674 /nfs/dbraw/zinc/10/86/74/1067108674.db2.gz WRINGFCWFHIXAT-HHJKRLRDSA-N 1 0 476.666 3.130 20 0 JGADRO C[S@](=O)C1(Cn2c(CCOc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC001302508881 1067113577 /nfs/dbraw/zinc/11/35/77/1067113577.db2.gz VBCZLRLZNRRMAC-YTTGMZPUSA-N 1 0 459.660 3.121 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001302509301 1067114710 /nfs/dbraw/zinc/11/47/10/1067114710.db2.gz BZLWDVKLXBYZTC-IRLDBZIGSA-N 1 0 462.683 3.278 20 0 JGADRO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN(C)c1ccccc1)[NH+]1CCCC1 ZINC001302509305 1067114770 /nfs/dbraw/zinc/11/47/70/1067114770.db2.gz CAGVGVOOIUZCRD-QHCPKHFHSA-N 1 0 467.662 3.207 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304073234 1067117489 /nfs/dbraw/zinc/11/74/89/1067117489.db2.gz DQFLCOLSTFSXNX-QZTJIDSGSA-N 1 0 459.664 3.283 20 0 JGADRO Cc1c(CN(C)c2nnc(C(C)(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC001304076068 1067119969 /nfs/dbraw/zinc/11/99/69/1067119969.db2.gz CXBOKMSYCKNWIO-UHFFFAOYSA-N 1 0 464.662 3.072 20 0 JGADRO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCCC1 ZINC001302512099 1067124204 /nfs/dbraw/zinc/12/42/04/1067124204.db2.gz BHPGZNSYENJYGH-FHWLQOOXSA-N 1 0 457.648 3.376 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001302512484 1067125015 /nfs/dbraw/zinc/12/50/15/1067125015.db2.gz CSPMSXGLYWUOPN-VQTJNVASSA-N 1 0 466.051 3.342 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccsc2)[NH+](C)C)cnn1C ZINC001304080174 1067125733 /nfs/dbraw/zinc/12/57/33/1067125733.db2.gz RAQAFFBFUBLMSB-ZJSXRUAMSA-N 1 0 487.674 3.361 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001302513051 1067126997 /nfs/dbraw/zinc/12/69/97/1067126997.db2.gz HETGIFWDXCZAPK-PXNSSMCTSA-N 1 0 478.435 3.290 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)cnn1C ZINC001304081862 1067128293 /nfs/dbraw/zinc/12/82/93/1067128293.db2.gz NWLFKKZSDSXRGV-HXUWFJFHSA-N 1 0 499.635 3.471 20 0 JGADRO Cc1occc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001304082176 1067128790 /nfs/dbraw/zinc/12/87/90/1067128790.db2.gz WMSOHPRJHSVGKB-VQIMIIECSA-N 1 0 492.671 3.325 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCC[NH+](C)C ZINC001304087418 1067131511 /nfs/dbraw/zinc/13/15/11/1067131511.db2.gz RSVBDEFNKXFYES-UHFFFAOYSA-N 1 0 466.615 3.069 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302515013 1067132786 /nfs/dbraw/zinc/13/27/86/1067132786.db2.gz HXLKCNRAKUYNON-PZJWPPBQSA-N 1 0 486.665 3.245 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCc1cnccn1)[NH+]1CCOCC1 ZINC001302515517 1067133845 /nfs/dbraw/zinc/13/38/45/1067133845.db2.gz YLNDNJAAYXBXSV-JOCHJYFZSA-N 1 0 470.021 3.424 20 0 JGADRO CC(C)[C@@H](Cn1c(C2CC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001302515856 1067134533 /nfs/dbraw/zinc/13/45/33/1067134533.db2.gz NWSLVVPDKOVXEG-DYESRHJHSA-N 1 0 460.648 3.121 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cnn1C ZINC001304092015 1067135153 /nfs/dbraw/zinc/13/51/53/1067135153.db2.gz OPWICWYFKXCYBX-LJQANCHMSA-N 1 0 450.635 3.453 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC001302515929 1067135185 /nfs/dbraw/zinc/13/51/85/1067135185.db2.gz OQTXTVDDJIIALQ-CVDCTZTESA-N 1 0 497.669 3.456 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC001302515930 1067135193 /nfs/dbraw/zinc/13/51/93/1067135193.db2.gz OQTXTVDDJIIALQ-WMZHIEFXSA-N 1 0 497.669 3.456 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3ccncc3)n2CC[N@H+](C)Cc2ccc(F)cc2)cnn1C ZINC001304091897 1067135194 /nfs/dbraw/zinc/13/51/94/1067135194.db2.gz LPYVJBZBPRLTQA-UHFFFAOYSA-N 1 0 462.577 3.213 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](c2cccs2)[NH+](C)C)cnn1C ZINC001304092060 1067135220 /nfs/dbraw/zinc/13/52/20/1067135220.db2.gz PMZFHQOPRAJBNB-HXUWFJFHSA-N 1 0 450.616 3.307 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302516613 1067135699 /nfs/dbraw/zinc/13/56/99/1067135699.db2.gz WGWKEOOQIPZJHO-NHCUHLMSSA-N 1 0 486.665 3.245 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302517696 1067136857 /nfs/dbraw/zinc/13/68/57/1067136857.db2.gz AVYGGOVIQHXAJE-REWPJTCUSA-N 1 0 498.594 3.170 20 0 JGADRO CSC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001302517853 1067137521 /nfs/dbraw/zinc/13/75/21/1067137521.db2.gz ANNQSGKNCWUEQP-BGYRXZFFSA-N 1 0 457.692 3.477 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302518293 1067137866 /nfs/dbraw/zinc/13/78/66/1067137866.db2.gz FMNOSJCAUKBPTG-IRLDBZIGSA-N 1 0 499.660 3.190 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+]1CCCC1 ZINC001302519202 1067139054 /nfs/dbraw/zinc/13/90/54/1067139054.db2.gz MBTNVGPBRIGYIP-HSZRJFAPSA-N 1 0 469.678 3.487 20 0 JGADRO Cc1ncsc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+](C)C ZINC001304098913 1067141711 /nfs/dbraw/zinc/14/17/11/1067141711.db2.gz URIIIGFDXODRFV-BHYGNILZSA-N 1 0 463.652 3.400 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)N1CCOCC1 ZINC001302523377 1067143937 /nfs/dbraw/zinc/14/39/37/1067143937.db2.gz JENADBRDTQCUTM-DNQXCXABSA-N 1 0 476.710 3.086 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCCC1 ZINC001302523406 1067144116 /nfs/dbraw/zinc/14/41/16/1067144116.db2.gz JNNUFBNJKIFZPN-DYESRHJHSA-N 1 0 476.572 3.256 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCCC1 ZINC001302525552 1067148645 /nfs/dbraw/zinc/14/86/45/1067148645.db2.gz NRXINTULUBXARC-WIYYLYMNSA-N 1 0 459.038 3.310 20 0 JGADRO CSC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001302525785 1067149080 /nfs/dbraw/zinc/14/90/80/1067149080.db2.gz GBCSOIKKKQDCKX-VQTJNVASSA-N 1 0 483.748 3.414 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302525970 1067150000 /nfs/dbraw/zinc/15/00/00/1067150000.db2.gz UANGTSQBUULRJG-HKBOAZHASA-N 1 0 476.666 3.396 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)N1CCOCC1 ZINC001302526948 1067152378 /nfs/dbraw/zinc/15/23/78/1067152378.db2.gz WSPNIUXFGDWNIJ-GOTSBHOMSA-N 1 0 476.710 3.087 20 0 JGADRO CC(C)[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCCC1 ZINC001302527193 1067153117 /nfs/dbraw/zinc/15/31/17/1067153117.db2.gz AJOURSDSFFIFPF-FYYLOGMGSA-N 1 0 452.647 3.241 20 0 JGADRO CC(C)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001302528220 1067156204 /nfs/dbraw/zinc/15/62/04/1067156204.db2.gz HLMVLJIJNIFJKK-QHCPKHFHSA-N 1 0 473.687 3.197 20 0 JGADRO CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCCC1 ZINC001302529078 1067157845 /nfs/dbraw/zinc/15/78/45/1067157845.db2.gz RKUVRCZIXYPMGG-TZIWHRDSSA-N 1 0 472.609 3.208 20 0 JGADRO CC(C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001302529121 1067157943 /nfs/dbraw/zinc/15/79/43/1067157943.db2.gz RXZAZLBQOMFFAF-PZJWPPBQSA-N 1 0 496.077 3.254 20 0 JGADRO CSC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001302531467 1067160686 /nfs/dbraw/zinc/16/06/86/1067160686.db2.gz QICFBDFELDYMNN-HXUWFJFHSA-N 1 0 491.105 3.407 20 0 JGADRO CC(C)[C@H](Cn1c(N2CCN(C(=O)c3ccc(O)cc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001302532094 1067161272 /nfs/dbraw/zinc/16/12/72/1067161272.db2.gz TZJACLCMAZEDOU-QFIPXVFZSA-N 1 0 468.646 3.364 20 0 JGADRO Cc1c(Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)cnn1CC(C)C ZINC001304127582 1067165638 /nfs/dbraw/zinc/16/56/38/1067165638.db2.gz CQCZKCLEJONIRA-SANMLTNESA-N 1 0 487.693 3.306 20 0 JGADRO CS[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001302537016 1067168388 /nfs/dbraw/zinc/16/83/88/1067168388.db2.gz UZTNJWLWUSVJCJ-FQEVSTJZSA-N 1 0 486.686 3.447 20 0 JGADRO Cc1c(Cl)cccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001304131044 1067169078 /nfs/dbraw/zinc/16/90/78/1067169078.db2.gz UWRVATDUJRSXJF-SFHVURJKSA-N 1 0 497.109 3.455 20 0 JGADRO CC(C)c1csc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC001302542430 1067174129 /nfs/dbraw/zinc/17/41/29/1067174129.db2.gz UGEVZCVWSLUHNZ-GOSISDBHSA-N 1 0 459.664 3.414 20 0 JGADRO COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001304136444 1067174939 /nfs/dbraw/zinc/17/49/39/1067174939.db2.gz ZSLXKUWYRDBIMA-DFBJGRDBSA-N 1 0 452.530 3.136 20 0 JGADRO CS[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001302542954 1067175380 /nfs/dbraw/zinc/17/53/80/1067175380.db2.gz WGTUPKFIBCUYAZ-JLAWEPINSA-N 1 0 457.648 3.378 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304136456 1067175438 /nfs/dbraw/zinc/17/54/38/1067175438.db2.gz OJLTYENZHDPFSJ-DNVJHFABSA-N 1 0 498.672 3.363 20 0 JGADRO 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CSC1(Cn2c(CC(C)(C)C)nnc2N2CCCN(Cc3noc(C)n3)CC2)CC[NH+](C)CC1 ZINC001302611364 1067244558 /nfs/dbraw/zinc/24/45/58/1067244558.db2.gz OALYQIAPSWTCTL-UHFFFAOYSA-N 1 0 490.722 3.098 20 0 JGADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(I)c1 ZINC001302611307 1067244888 /nfs/dbraw/zinc/24/48/88/1067244888.db2.gz SFRRJKUALKREAC-DJIMGWMZSA-N 1 0 458.340 3.132 20 0 JGADRO CSC1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001302612557 1067245875 /nfs/dbraw/zinc/24/58/75/1067245875.db2.gz MJPXJQWZZAEYEB-RBUKOAKNSA-N 1 0 494.706 3.055 20 0 JGADRO Cc1cc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCOCC[NH+](C)C)c2ccccc2n1 ZINC001304197401 1067246841 /nfs/dbraw/zinc/24/68/41/1067246841.db2.gz ZCEYJDBBOMZBRY-UHFFFAOYSA-N 1 0 493.656 3.075 20 0 JGADRO CSC1(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCOCC2)CC[NH+](C)CC1 ZINC001302613990 1067247366 /nfs/dbraw/zinc/24/73/66/1067247366.db2.gz SRJQUSUNXDYQSO-UHFFFAOYSA-N 1 0 494.706 3.057 20 0 JGADRO CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C)s2)CC[NH+](C)CC1 ZINC001302613987 1067247388 /nfs/dbraw/zinc/24/73/88/1067247388.db2.gz SOMATMBMYFKWMN-QGZVFWFLSA-N 1 0 483.729 3.014 20 0 JGADRO Cc1cc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[NH+]2CCC(O)CC2)no1 ZINC001304199172 1067249018 /nfs/dbraw/zinc/24/90/18/1067249018.db2.gz SMULZASWTRECHA-GOSISDBHSA-N 1 0 472.565 3.337 20 0 JGADRO Cc1cccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001304206089 1067252293 /nfs/dbraw/zinc/25/22/93/1067252293.db2.gz RLBFRTBXBCFWHH-JOCHJYFZSA-N 1 0 459.660 3.247 20 0 JGADRO Cc1cc(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)no1 ZINC001304207757 1067252786 /nfs/dbraw/zinc/25/27/86/1067252786.db2.gz CMKUYTCCRZIVSN-QHCPKHFHSA-N 1 0 452.603 3.467 20 0 JGADRO CSC1(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC[NH+](C)CC1 ZINC001302623812 1067253621 /nfs/dbraw/zinc/25/36/21/1067253621.db2.gz QBZDMTCZJVGIOX-KDURUIRLSA-N 1 0 463.721 3.297 20 0 JGADRO CC[NH+]1CCN(CCC(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)CC1 ZINC001304210464 1067254623 /nfs/dbraw/zinc/25/46/23/1067254623.db2.gz ALJHQTVEGJTGHL-UHFFFAOYSA-N 1 0 458.647 3.099 20 0 JGADRO Cc1cccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304210562 1067254684 /nfs/dbraw/zinc/25/46/84/1067254684.db2.gz DOXIUTGNDVAHII-FGZHOGPDSA-N 1 0 454.619 3.017 20 0 JGADRO CSC1(Cn2c(N3CC(C)(C)OC[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001302626021 1067256302 /nfs/dbraw/zinc/25/63/02/1067256302.db2.gz ZLBGKMFBWIIXKH-CYFREDJKSA-N 1 0 481.707 3.150 20 0 JGADRO CC(C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001302632584 1067261495 /nfs/dbraw/zinc/26/14/95/1067261495.db2.gz FEMBZIOQHUKJDN-UHFFFAOYSA-N 1 0 453.635 3.308 20 0 JGADRO CC(C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001302633627 1067262617 /nfs/dbraw/zinc/26/26/17/1067262617.db2.gz QKLSGYHDVBIANC-HXUWFJFHSA-N 1 0 456.610 3.340 20 0 JGADRO CSc1cc(C)ccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001302634398 1067263523 /nfs/dbraw/zinc/26/35/23/1067263523.db2.gz WODPPBGIFLEHQS-UHFFFAOYSA-N 1 0 456.660 3.225 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001302635222 1067264551 /nfs/dbraw/zinc/26/45/51/1067264551.db2.gz QTOBFVNTBVNZSX-FCHUYYIVSA-N 1 0 484.645 3.120 20 0 JGADRO CSc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001302636897 1067267028 /nfs/dbraw/zinc/26/70/28/1067267028.db2.gz VHNCORQRGHYIJJ-NRFANRHFSA-N 1 0 470.687 3.298 20 0 JGADRO CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302638670 1067268288 /nfs/dbraw/zinc/26/82/88/1067268288.db2.gz OVQGXALJNSWXTH-UHFFFAOYSA-N 1 0 469.634 3.065 20 0 JGADRO Cc1cc(CN2CCN(c3nnc([C@H]4CCCCO4)n3CC[NH+](C(C)C)C(C)C)CC2)no1 ZINC001304231322 1067268533 /nfs/dbraw/zinc/26/85/33/1067268533.db2.gz XHCOLCHUQAQPNC-JOCHJYFZSA-N 1 0 459.639 3.257 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CC(=O)N(C)C ZINC001304231403 1067268545 /nfs/dbraw/zinc/26/85/45/1067268545.db2.gz JAEKQDJZIULFNE-AZUAARDMSA-N 1 0 475.037 3.013 20 0 JGADRO CSc1cc(Cn2c(-c3cnccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)ccn1 ZINC001302640957 1067270093 /nfs/dbraw/zinc/27/00/93/1067270093.db2.gz HATAYXKKGAHRMN-UHFFFAOYSA-N 1 0 452.632 3.457 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC(=O)N(C)C ZINC001304233175 1067271358 /nfs/dbraw/zinc/27/13/58/1067271358.db2.gz RNDWLIVULPIZHQ-OAQYLSRUSA-N 1 0 489.064 3.404 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001304233604 1067271717 /nfs/dbraw/zinc/27/17/17/1067271717.db2.gz WRIWHOQDRILABZ-NQIIRXRSSA-N 1 0 489.064 3.259 20 0 JGADRO CSc1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[NH+](CC(C)C)CC2)ccn1 ZINC001302643774 1067272053 /nfs/dbraw/zinc/27/20/53/1067272053.db2.gz RDDMELUWTSXZKM-UHFFFAOYSA-N 1 0 454.648 3.083 20 0 JGADRO Cc1cc(F)ccc1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001304242069 1067279017 /nfs/dbraw/zinc/27/90/17/1067279017.db2.gz YWKWFADKUAXDCF-XMMPIXPASA-N 1 0 472.653 3.323 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001304248974 1067284465 /nfs/dbraw/zinc/28/44/65/1067284465.db2.gz CHTYDPAEXATYNO-UHFFFAOYSA-N 1 0 468.646 3.460 20 0 JGADRO CSc1ccccc1CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CC[NH+](C)CC1 ZINC001302661246 1067288350 /nfs/dbraw/zinc/28/83/50/1067288350.db2.gz TUJFKYUBSFTOQQ-GOSISDBHSA-N 1 0 474.700 3.415 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001302663584 1067290560 /nfs/dbraw/zinc/29/05/60/1067290560.db2.gz OSTWYJXTDIPKKG-VGSWGCGISA-N 1 0 475.688 3.085 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001302670998 1067296999 /nfs/dbraw/zinc/29/69/99/1067296999.db2.gz JMGXCRQLHWHGRP-UHFFFAOYSA-N 1 0 475.037 3.130 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302673383 1067299022 /nfs/dbraw/zinc/29/90/22/1067299022.db2.gz BYCOSPZYVUQLJM-UXHICEINSA-N 1 0 464.655 3.084 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001302673985 1067299859 /nfs/dbraw/zinc/29/98/59/1067299859.db2.gz KONNZZNBXNCBOR-UHFFFAOYSA-N 1 0 497.688 3.037 20 0 JGADRO CC(C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001302674836 1067300709 /nfs/dbraw/zinc/30/07/09/1067300709.db2.gz YEJHVYFFQONUQJ-BJKOFHAPSA-N 1 0 481.689 3.261 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ncn(C)n2)c1 ZINC001304268693 1067302427 /nfs/dbraw/zinc/30/24/27/1067302427.db2.gz OARQODRIZVZMEL-UHFFFAOYSA-N 1 0 466.634 3.433 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCNC(=O)CC3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001304271129 1067305925 /nfs/dbraw/zinc/30/59/25/1067305925.db2.gz GASZUBDGCJMPBI-UHFFFAOYSA-N 1 0 468.646 3.490 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC001304270892 1067306002 /nfs/dbraw/zinc/30/60/02/1067306002.db2.gz AXAIMCBVQKVEGM-SJBKTWHCSA-N 1 0 474.675 3.270 20 0 JGADRO Cc1ccc([C@H](C)Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001304271502 1067306793 /nfs/dbraw/zinc/30/67/93/1067306793.db2.gz FWSVHCDDAQQBFM-OAQYLSRUSA-N 1 0 452.647 3.432 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001304271433 1067306906 /nfs/dbraw/zinc/30/69/06/1067306906.db2.gz AXOJMJXCSXFKDI-DENIHFKCSA-N 1 0 468.646 3.296 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCC(=O)N(C)C)c1 ZINC001304272751 1067308853 /nfs/dbraw/zinc/30/88/53/1067308853.db2.gz IVUSBVSMZRPHAZ-RTWAWAEBSA-N 1 0 468.646 3.440 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCC(=O)N(C)C)c1 ZINC001304272750 1067308906 /nfs/dbraw/zinc/30/89/06/1067308906.db2.gz IVUSBVSMZRPHAZ-NHCUHLMSSA-N 1 0 468.646 3.440 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)C(C)C)C1 ZINC001302683926 1067309753 /nfs/dbraw/zinc/30/97/53/1067309753.db2.gz UIKKONSKJSLDDV-QGZVFWFLSA-N 1 0 450.678 3.332 20 0 JGADRO Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)n1 ZINC001304273410 1067309807 /nfs/dbraw/zinc/30/98/07/1067309807.db2.gz KKAOASQKTIYOOK-NRFANRHFSA-N 1 0 494.644 3.277 20 0 JGADRO Cc1cnn(C[C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)CCO2)c1 ZINC001304274420 1067311159 /nfs/dbraw/zinc/31/11/59/1067311159.db2.gz NAXXCSWBHUGPFF-GOTSBHOMSA-N 1 0 451.619 3.423 20 0 JGADRO Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001304274357 1067311225 /nfs/dbraw/zinc/31/12/25/1067311225.db2.gz LTEBFUMPDQBMJN-PKTZIBPZSA-N 1 0 484.645 3.462 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccco3)C2)[NH+](C)C)cc1 ZINC001304274981 1067312522 /nfs/dbraw/zinc/31/25/22/1067312522.db2.gz OWYMQWDOZVDKQY-TYPHKJRUSA-N 1 0 486.642 3.087 20 0 JGADRO Cc1ccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](CC(N)=O)C2)[NH+](C)C)cc1 ZINC001304275336 1067312720 /nfs/dbraw/zinc/31/27/20/1067312720.db2.gz PHJDSASCQXLLJJ-OFNKIYASSA-N 1 0 461.614 3.352 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302688693 1067313077 /nfs/dbraw/zinc/31/30/77/1067313077.db2.gz DBXIPIWDLFMCMC-DEOSSOPVSA-N 1 0 499.679 3.368 20 0 JGADRO Cc1ccc([C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC(N)=O)CC2)[NH+](C)C)cc1 ZINC001304275485 1067313424 /nfs/dbraw/zinc/31/34/24/1067313424.db2.gz QDYUSIZNAHLYJH-QHCPKHFHSA-N 1 0 461.614 3.352 20 0 JGADRO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC1CCN(CC(F)(F)F)CC1 ZINC001302689687 1067313972 /nfs/dbraw/zinc/31/39/72/1067313972.db2.gz PDVPILKOKWKAJA-SFHVURJKSA-N 1 0 472.600 3.365 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001304276412 1067314894 /nfs/dbraw/zinc/31/48/94/1067314894.db2.gz XSSVPRPVZRCIGC-SIKLNZKXSA-N 1 0 468.646 3.296 20 0 JGADRO Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccs3)CC2)[NH+](C)C)cc1 ZINC001304276557 1067315347 /nfs/dbraw/zinc/31/53/47/1067315347.db2.gz SRPIYXJTHQNQLY-NRFANRHFSA-N 1 0 481.670 3.416 20 0 JGADRO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001302690599 1067315597 /nfs/dbraw/zinc/31/55/97/1067315597.db2.gz SYBKXLHCMKKGGC-QZTJIDSGSA-N 1 0 450.628 3.004 20 0 JGADRO Cc1ccc([C@@H](Cn2c(N(C)CCN3CCOCC3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001304277249 1067315619 /nfs/dbraw/zinc/31/56/19/1067315619.db2.gz CYWCWPKFLXHWML-HSZRJFAPSA-N 1 0 454.663 3.490 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001302690975 1067315818 /nfs/dbraw/zinc/31/58/18/1067315818.db2.gz UHGLKHPBZFCDKE-CTNGQTDRSA-N 1 0 456.660 3.366 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302691050 1067315887 /nfs/dbraw/zinc/31/58/87/1067315887.db2.gz BHDOETKOPXKNEJ-GCJKJVERSA-N 1 0 467.536 3.010 20 0 JGADRO CSC[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001302690978 1067315994 /nfs/dbraw/zinc/31/59/94/1067315994.db2.gz UHGLKHPBZFCDKE-TZIWHRDSSA-N 1 0 456.660 3.366 20 0 JGADRO Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2cnn(C)c2)[NH+](C)C)cc1 ZINC001304277591 1067316269 /nfs/dbraw/zinc/31/62/69/1067316269.db2.gz XSJXMVCSXAAOCZ-FCHUYYIVSA-N 1 0 464.618 3.103 20 0 JGADRO Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)CC2CCOCC2)[NH+]2CCCC2)cc1 ZINC001304277328 1067316292 /nfs/dbraw/zinc/31/62/92/1067316292.db2.gz XHHPIYXDIWRCFK-QHCPKHFHSA-N 1 0 468.646 3.425 20 0 JGADRO Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2cnn(C)c2)[NH+](C)C)cc1 ZINC001304277595 1067316366 /nfs/dbraw/zinc/31/63/66/1067316366.db2.gz XSJXMVCSXAAOCZ-VXKWHMMOSA-N 1 0 464.618 3.103 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC001304278084 1067317007 /nfs/dbraw/zinc/31/70/07/1067317007.db2.gz JCLAMAPBEMPMPO-GOTSBHOMSA-N 1 0 482.673 3.478 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC001304278086 1067317218 /nfs/dbraw/zinc/31/72/18/1067317218.db2.gz JCLAMAPBEMPMPO-PKTZIBPZSA-N 1 0 482.673 3.478 20 0 JGADRO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001302693892 1067319234 /nfs/dbraw/zinc/31/92/34/1067319234.db2.gz YRWTWVLSSXXJCW-JOCHJYFZSA-N 1 0 492.615 3.282 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)[NH+](C)C)cc1 ZINC001304278770 1067319322 /nfs/dbraw/zinc/31/93/22/1067319322.db2.gz NYLRCGLIOVOFEN-GOTSBHOMSA-N 1 0 484.645 3.308 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)CC2COC(C)(C)OC2)[NH+](C)C)cc1 ZINC001304279259 1067319649 /nfs/dbraw/zinc/31/96/49/1067319649.db2.gz SVKPWQOMGDRKLO-YADHBBJMSA-N 1 0 457.619 3.229 20 0 JGADRO Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CC[C@H](CN3CCOCC3)C2)[NH+](C)C)cc1 ZINC001304279299 1067319777 /nfs/dbraw/zinc/31/97/77/1067319777.db2.gz UDMYQIAFWVAKQH-VWNXMTODSA-N 1 0 454.663 3.246 20 0 JGADRO CSC[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001302694874 1067319862 /nfs/dbraw/zinc/31/98/62/1067319862.db2.gz WUKCRTYJDVXZLX-HXUWFJFHSA-N 1 0 460.623 3.117 20 0 JGADRO Cc1nc(CN2CCCN(c3nnc(CC(C)C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)no1 ZINC001304279756 1067320251 /nfs/dbraw/zinc/32/02/51/1067320251.db2.gz ZVGJHCWYAUAYAF-QHCPKHFHSA-N 1 0 480.661 3.492 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001304280942 1067321360 /nfs/dbraw/zinc/32/13/60/1067321360.db2.gz APPDVHLKQRIZQF-FCHUYYIVSA-N 1 0 468.646 3.296 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001302697744 1067322829 /nfs/dbraw/zinc/32/28/29/1067322829.db2.gz HQSSCZKFFBFGEG-GOSISDBHSA-N 1 0 475.556 3.036 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC(=O)NC(C)C)c1 ZINC001304283302 1067323887 /nfs/dbraw/zinc/32/38/87/1067323887.db2.gz UGEDMCFRSAYKFQ-LEWJYISDSA-N 1 0 454.619 3.062 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)CCc3cnccn3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001304283067 1067324074 /nfs/dbraw/zinc/32/40/74/1067324074.db2.gz RDAMJYLVCRTLEB-UHFFFAOYSA-N 1 0 493.656 3.178 20 0 JGADRO CC(C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001302699302 1067324364 /nfs/dbraw/zinc/32/43/64/1067324364.db2.gz PVKWGDBTACICES-JXALWOEJSA-N 1 0 460.692 3.366 20 0 JGADRO CSC[C@H]1CCCN1c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302700296 1067324640 /nfs/dbraw/zinc/32/46/40/1067324640.db2.gz FPHOFIASATYWTN-LEWJYISDSA-N 1 0 459.660 3.493 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001304284088 1067325487 /nfs/dbraw/zinc/32/54/87/1067325487.db2.gz YFHURENESRGDHB-QFIPXVFZSA-N 1 0 465.520 3.239 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001304286638 1067328764 /nfs/dbraw/zinc/32/87/64/1067328764.db2.gz BXPBHRBMTVUIRW-FCHUYYIVSA-N 1 0 468.646 3.296 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1(SC)CC[NH+](C)CC1 ZINC001302708734 1067330540 /nfs/dbraw/zinc/33/05/40/1067330540.db2.gz BFIAVCTXOAIUAC-KRWDZBQOSA-N 1 0 494.756 3.429 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc(COc2ccccc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001302709001 1067330779 /nfs/dbraw/zinc/33/07/79/1067330779.db2.gz HFZHKAQURDJTOF-SFHVURJKSA-N 1 0 463.623 3.439 20 0 JGADRO CC(C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001302711385 1067332459 /nfs/dbraw/zinc/33/24/59/1067332459.db2.gz GJHNZMHVMXFAKM-IBGZPJMESA-N 1 0 450.628 3.007 20 0 JGADRO CSCC[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001302714785 1067333962 /nfs/dbraw/zinc/33/39/62/1067333962.db2.gz VNWGXTGFHAENDL-IBGZPJMESA-N 1 0 471.675 3.404 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304289390 1067335033 /nfs/dbraw/zinc/33/50/33/1067335033.db2.gz XPESJZRJVUPULC-TZIWHRDSSA-N 1 0 457.575 3.318 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)N2CCOCC2)c1 ZINC001304289590 1067335510 /nfs/dbraw/zinc/33/55/10/1067335510.db2.gz UWTNDPDZKWWRQF-JOCHJYFZSA-N 1 0 470.662 3.115 20 0 JGADRO Cc1nn(C)c(C)c1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001304289689 1067335788 /nfs/dbraw/zinc/33/57/88/1067335788.db2.gz XXRDOJMTLLIMFI-UHFFFAOYSA-N 1 0 451.619 3.403 20 0 JGADRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1 ZINC001302720743 1067336969 /nfs/dbraw/zinc/33/69/69/1067336969.db2.gz BFIJUCYPDOFYIF-TZIWHRDSSA-N 1 0 454.958 3.244 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2C[C@@](C)(O)C(C)C)c1 ZINC001304290831 1067338395 /nfs/dbraw/zinc/33/83/95/1067338395.db2.gz HYEIOBDLUNIKMK-HHHXNRCGSA-N 1 0 485.673 3.430 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001304291674 1067339937 /nfs/dbraw/zinc/33/99/37/1067339937.db2.gz RSGLVDWCORNUIO-FQEVSTJZSA-N 1 0 459.660 3.165 20 0 JGADRO Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC2CC[NH+](CCC(C)C)CC2)o1 ZINC001304293994 1067342870 /nfs/dbraw/zinc/34/28/70/1067342870.db2.gz KBKVNCFNCUJIEA-GOSISDBHSA-N 1 0 465.664 3.474 20 0 JGADRO CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC001302728175 1067344194 /nfs/dbraw/zinc/34/41/94/1067344194.db2.gz SUWMGDOKZSSKDK-RUZDIDTESA-N 1 0 451.611 3.094 20 0 JGADRO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001304295539 1067344454 /nfs/dbraw/zinc/34/44/54/1067344454.db2.gz DOCVMCXTZKLOCT-ISARSNTHSA-N 1 0 451.637 3.225 20 0 JGADRO Cc1ccc(-c2nnc(N(C)Cc3ccoc3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC001304295870 1067345356 /nfs/dbraw/zinc/34/53/56/1067345356.db2.gz GGOSZQWKSNVIOT-FQEVSTJZSA-N 1 0 454.575 3.327 20 0 JGADRO Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[NH+]2CCCC2)cc1Br ZINC001304295744 1067345441 /nfs/dbraw/zinc/34/54/41/1067345441.db2.gz KWFYMQZTKQCJGS-UHFFFAOYSA-N 1 0 477.451 3.463 20 0 JGADRO Cc1ccc(-c2nnc(N(C)[C@H]3CCCN(c4cccnn4)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304297524 1067346356 /nfs/dbraw/zinc/34/63/56/1067346356.db2.gz CGFPWDPGQMWQKA-IBGZPJMESA-N 1 0 452.607 3.330 20 0 JGADRO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCCC2)o1 ZINC001304297937 1067347163 /nfs/dbraw/zinc/34/71/63/1067347163.db2.gz QXVZCULGSAMIEL-QXAKKESOSA-N 1 0 451.637 3.226 20 0 JGADRO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001302733365 1067347167 /nfs/dbraw/zinc/34/71/67/1067347167.db2.gz YVMVUWTVRLMCIK-UXHICEINSA-N 1 0 451.681 3.317 20 0 JGADRO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCCC2)o1 ZINC001304297933 1067347383 /nfs/dbraw/zinc/34/73/83/1067347383.db2.gz QXVZCULGSAMIEL-BHIYHBOVSA-N 1 0 451.637 3.226 20 0 JGADRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F ZINC001302734581 1067347995 /nfs/dbraw/zinc/34/79/95/1067347995.db2.gz UXHFAHJYTJRIRJ-LJQANCHMSA-N 1 0 453.530 3.101 20 0 JGADRO 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Cc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCC[N@@H+](C)C(C)C)cc1Br ZINC001304312459 1067359736 /nfs/dbraw/zinc/35/97/36/1067359736.db2.gz PJIIHFPVDYDJNL-JOCHJYFZSA-N 1 0 477.451 3.448 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCC[NH+]2CCCCC2)o1 ZINC001304312597 1067359864 /nfs/dbraw/zinc/35/98/64/1067359864.db2.gz QPLCTLWPNZUAJU-QGZVFWFLSA-N 1 0 468.524 3.227 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(O)CCOC2)cc1Br ZINC001304315015 1067362816 /nfs/dbraw/zinc/36/28/16/1067362816.db2.gz NDTABXXPRRZBAT-QFIPXVFZSA-N 1 0 478.435 3.134 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(S(=O)(=O)c4ccccc4)CC3)n2C[C@H](C)[NH+](C)C)o1 ZINC001304315576 1067363236 /nfs/dbraw/zinc/36/32/36/1067363236.db2.gz CTHSSYQMNVAYOB-KRWDZBQOSA-N 1 0 457.600 3.239 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCCC1 ZINC001302762299 1067363923 /nfs/dbraw/zinc/36/39/23/1067363923.db2.gz QCDNNEKEUPUHEB-LEWJYISDSA-N 1 0 451.681 3.173 20 0 JGADRO 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CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001302771797 1067369374 /nfs/dbraw/zinc/36/93/74/1067369374.db2.gz CVMHLAZYYLOZLQ-IRXDYDNUSA-N 1 0 498.491 3.477 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(NC(=O)OC(C)(C)C)COC2)o1 ZINC001304322579 1067370418 /nfs/dbraw/zinc/37/04/18/1067370418.db2.gz VZZSCGXGBYMHGT-UHFFFAOYSA-N 1 0 474.606 3.061 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CCOc2ncccc2F)o1 ZINC001304323304 1067371454 /nfs/dbraw/zinc/37/14/54/1067371454.db2.gz ATVNMOZWMMKWOR-UHFFFAOYSA-N 1 0 458.538 3.007 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001302775940 1067373105 /nfs/dbraw/zinc/37/31/05/1067373105.db2.gz CFRMOFJCSDOPKR-HBMCJLEFSA-N 1 0 478.707 3.040 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOc4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)o1 ZINC001304325844 1067374876 /nfs/dbraw/zinc/37/48/76/1067374876.db2.gz YCMPQWCBXVNYIV-RUZDIDTESA-N 1 0 453.587 3.455 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(Cc4cccc(F)c4)C(=O)C3)n2CC[N@@H+](C)C(C)C)o1 ZINC001304325884 1067374981 /nfs/dbraw/zinc/37/49/81/1067374981.db2.gz YVOSHEAGOJDFPF-UHFFFAOYSA-N 1 0 454.550 3.175 20 0 JGADRO Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1Br ZINC001304328190 1067376526 /nfs/dbraw/zinc/37/65/26/1067376526.db2.gz OCKQZSALJDSUNP-INIZCTEOSA-N 1 0 480.476 3.317 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001304328894 1067377268 /nfs/dbraw/zinc/37/72/68/1067377268.db2.gz RJOKFGLIKDJISV-MJGOQNOKSA-N 1 0 489.462 3.319 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCS1 ZINC001302784724 1067377753 /nfs/dbraw/zinc/37/77/53/1067377753.db2.gz XLXCKYKGXQQHLG-RTWAWAEBSA-N 1 0 474.650 3.420 20 0 JGADRO Cc1ccc([C@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001304333694 1067380189 /nfs/dbraw/zinc/38/01/89/1067380189.db2.gz WVZJFYFXPSOVCA-PZJWPPBQSA-N 1 0 474.675 3.413 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001302789999 1067381426 /nfs/dbraw/zinc/38/14/26/1067381426.db2.gz VXWONYAYGWRRLT-QFIPXVFZSA-N 1 0 475.609 3.093 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC001304337451 1067382984 /nfs/dbraw/zinc/38/29/84/1067382984.db2.gz FISNTTJXFDVRPI-IEBWSBKVSA-N 1 0 492.671 3.325 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)o1 ZINC001304338343 1067383667 /nfs/dbraw/zinc/38/36/67/1067383667.db2.gz NWRILYVRKNMYDF-PKTZIBPZSA-N 1 0 463.648 3.294 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)o1 ZINC001304338342 1067383686 /nfs/dbraw/zinc/38/36/86/1067383686.db2.gz NWRILYVRKNMYDF-GOTSBHOMSA-N 1 0 463.648 3.294 20 0 JGADRO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001302799896 1067388869 /nfs/dbraw/zinc/38/88/69/1067388869.db2.gz WNXMMRJLGZUJEK-GOEBONIOSA-N 1 0 453.454 3.472 20 0 JGADRO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)s1 ZINC001304349317 1067390648 /nfs/dbraw/zinc/39/06/48/1067390648.db2.gz FXSSKKMYHCOAFR-AZUAARDMSA-N 1 0 488.683 3.017 20 0 JGADRO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)s1 ZINC001304349322 1067390706 /nfs/dbraw/zinc/39/07/06/1067390706.db2.gz FXSSKKMYHCOAFR-QUCCMNQESA-N 1 0 488.683 3.017 20 0 JGADRO COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001304352680 1067393553 /nfs/dbraw/zinc/39/35/53/1067393553.db2.gz QOTZAZLNBYYFTK-IZZNHLLZSA-N 1 0 473.573 3.218 20 0 JGADRO Cc1ccc(Cn2c(-c3ccccc3Cl)nnc2N2CC[NH+](CCOC(C)C)CC2)c(=O)n1C ZINC001304353196 1067393667 /nfs/dbraw/zinc/39/36/67/1067393667.db2.gz YOWDMIJWSJQHKO-UHFFFAOYSA-N 1 0 485.032 3.201 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001302806959 1067394249 /nfs/dbraw/zinc/39/42/49/1067394249.db2.gz BGSDIVXUJVHIDV-CABCVRRESA-N 1 0 483.480 3.447 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001302807450 1067394886 /nfs/dbraw/zinc/39/48/86/1067394886.db2.gz GBESZOKQDQARGQ-RDJZCZTQSA-N 1 0 495.441 3.490 20 0 JGADRO CC(C)C[C@H](Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1)[NH+](C)C ZINC001302807650 1067395367 /nfs/dbraw/zinc/39/53/67/1067395367.db2.gz HNZLBHKCMMZVJR-HSZRJFAPSA-N 1 0 481.689 3.089 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001302808806 1067396730 /nfs/dbraw/zinc/39/67/30/1067396730.db2.gz RIGVFRXYUIFQLU-WBVHZDCISA-N 1 0 450.990 3.416 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1)[NH+](C)C ZINC001302808543 1067396761 /nfs/dbraw/zinc/39/67/61/1067396761.db2.gz PWIBHPDVUYXUNM-XUVXKRRUSA-N 1 0 472.609 3.345 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001302808836 1067396960 /nfs/dbraw/zinc/39/69/60/1067396960.db2.gz RNRPFCUGXCDUBJ-IBGZPJMESA-N 1 0 470.025 3.086 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001302808916 1067397238 /nfs/dbraw/zinc/39/72/38/1067397238.db2.gz SFJOFVRNCORYKP-QWFCFKBJSA-N 1 0 460.598 3.235 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccs1)[NH+](C)C ZINC001302809280 1067397776 /nfs/dbraw/zinc/39/77/76/1067397776.db2.gz UWYXQRUVZAZFFP-KURKYZTESA-N 1 0 468.693 3.268 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccs1)[NH+](C)C ZINC001302809277 1067397820 /nfs/dbraw/zinc/39/78/20/1067397820.db2.gz UWYXQRUVZAZFFP-KSZLIROESA-N 1 0 468.693 3.268 20 0 JGADRO Cc1ccc(Cn2c(CC(C)C)nnc2N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(=O)n1C ZINC001304359983 1067398232 /nfs/dbraw/zinc/39/82/32/1067398232.db2.gz KMXVNYTYFMKWBO-QHCPKHFHSA-N 1 0 462.642 3.490 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001302809432 1067398287 /nfs/dbraw/zinc/39/82/87/1067398287.db2.gz WJYSPQXZRHJVGG-YZGWKJHDSA-N 1 0 495.466 3.396 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001302809615 1067398294 /nfs/dbraw/zinc/39/82/94/1067398294.db2.gz XWQKZGOGSRXXEE-GOSISDBHSA-N 1 0 481.016 3.009 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001302810635 1067398816 /nfs/dbraw/zinc/39/88/16/1067398816.db2.gz BAQRVWMAYXPGHE-GOSISDBHSA-N 1 0 455.573 3.334 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001302811697 1067399243 /nfs/dbraw/zinc/39/92/43/1067399243.db2.gz LEMRSGRADXIVKO-NHCUHLMSSA-N 1 0 456.635 3.338 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001302813166 1067400326 /nfs/dbraw/zinc/40/03/26/1067400326.db2.gz WCTIWLVJIXOXOU-JOCHJYFZSA-N 1 0 498.672 3.387 20 0 JGADRO CSCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001302814560 1067401346 /nfs/dbraw/zinc/40/13/46/1067401346.db2.gz SRELVBVCAIIIKW-SVFBPWRDSA-N 1 0 451.681 3.251 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302816323 1067403129 /nfs/dbraw/zinc/40/31/29/1067403129.db2.gz GTHQKARJIHLHMD-MSOLQXFVSA-N 1 0 458.632 3.026 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2[C@@H]1C)[NH+](C)C ZINC001302817051 1067404089 /nfs/dbraw/zinc/40/40/89/1067404089.db2.gz CILINBNYTZCWSL-SESVDKBCSA-N 1 0 459.660 3.280 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001302817344 1067404127 /nfs/dbraw/zinc/40/41/27/1067404127.db2.gz KCUGIJRSXNOFAM-JOCHJYFZSA-N 1 0 494.619 3.249 20 0 JGADRO C[NH+](C)C[C@]1(O)CCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 ZINC001302819105 1067406614 /nfs/dbraw/zinc/40/66/14/1067406614.db2.gz VXDGCDYRJQUKLY-TZIWHRDSSA-N 1 0 451.336 3.233 20 0 JGADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+](C)C ZINC001302820111 1067407458 /nfs/dbraw/zinc/40/74/58/1067407458.db2.gz DPCKYOSUBSIWCQ-MBSDFSHPSA-N 1 0 463.026 3.189 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001302820369 1067407863 /nfs/dbraw/zinc/40/78/63/1067407863.db2.gz PDEDJWTTXHCEOA-JBAWTIAASA-N 1 0 456.635 3.013 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1)[NH+](C)C ZINC001302820563 1067408314 /nfs/dbraw/zinc/40/83/14/1067408314.db2.gz QFKSYSJTLTWYGZ-VQTJNVASSA-N 1 0 459.614 3.009 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)[NH+](C)C ZINC001302820484 1067408400 /nfs/dbraw/zinc/40/84/00/1067408400.db2.gz SHRNPUOUMGPSRX-QFIPXVFZSA-N 1 0 482.677 3.377 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1)[NH+](C)C ZINC001302820562 1067408438 /nfs/dbraw/zinc/40/84/38/1067408438.db2.gz QFKSYSJTLTWYGZ-UXHICEINSA-N 1 0 459.614 3.009 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nncn1C)[NH+](C)C ZINC001302820881 1067408726 /nfs/dbraw/zinc/40/87/26/1067408726.db2.gz RWLNJRXKVCVXFU-NHCUHLMSSA-N 1 0 454.598 3.454 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001302821031 1067409223 /nfs/dbraw/zinc/40/92/23/1067409223.db2.gz TVATUONUBMTBAJ-RTWAWAEBSA-N 1 0 490.643 3.282 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001302821347 1067409708 /nfs/dbraw/zinc/40/97/08/1067409708.db2.gz WZJODKHYAGHFMD-GUDVDZBRSA-N 1 0 472.638 3.096 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)[NH+](C)C ZINC001302821436 1067410023 /nfs/dbraw/zinc/41/00/23/1067410023.db2.gz VZCMQRYCHVEGJX-XMMPIXPASA-N 1 0 489.668 3.264 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3([NH+](C)C)CCC[C@@H](C)C3)CC2=O)cc1 ZINC001304372463 1067410217 /nfs/dbraw/zinc/41/02/17/1067410217.db2.gz YYFFLIBVYMMXNI-JIPXPUAJSA-N 1 0 495.672 3.088 20 0 JGADRO CC(C)C[C@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1)[NH+](C)C ZINC001302821761 1067410605 /nfs/dbraw/zinc/41/06/05/1067410605.db2.gz YPQOTFJGFOIGQJ-HXUWFJFHSA-N 1 0 454.619 3.190 20 0 JGADRO CC(C)C[C@@H](Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+](C)C ZINC001302822320 1067411448 /nfs/dbraw/zinc/41/14/48/1067411448.db2.gz MSJXWDHDFHQEHV-SFHVURJKSA-N 1 0 458.573 3.102 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)CC2=O)cc1 ZINC001304373629 1067411602 /nfs/dbraw/zinc/41/16/02/1067411602.db2.gz YAEDGXVLWNXRPW-QFIPXVFZSA-N 1 0 468.646 3.094 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001302822873 1067411984 /nfs/dbraw/zinc/41/19/84/1067411984.db2.gz PFXHHMDOROJMLR-BGWNEDDSSA-N 1 0 488.652 3.129 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCSCC3)CC2=O)cc1 ZINC001304373939 1067412074 /nfs/dbraw/zinc/41/20/74/1067412074.db2.gz IOLYRHNYABBMFU-UHFFFAOYSA-N 1 0 456.660 3.077 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CC2=O)cc1 ZINC001304374044 1067412570 /nfs/dbraw/zinc/41/25/70/1067412570.db2.gz KXUAQVTZWROWMP-UHFFFAOYSA-N 1 0 481.689 3.054 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1)[NH+](C)C ZINC001302824365 1067413310 /nfs/dbraw/zinc/41/33/10/1067413310.db2.gz ZVILQVRGNAICKU-BHDDXSALSA-N 1 0 460.667 3.020 20 0 JGADRO Cc1c(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CC=CCC2)cnn1C ZINC001304374477 1067413319 /nfs/dbraw/zinc/41/33/19/1067413319.db2.gz LLNJNMIFUKRAGM-UHFFFAOYSA-N 1 0 462.602 3.087 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)C2CC2)CC1)[NH+](C)C ZINC001302824316 1067413348 /nfs/dbraw/zinc/41/33/48/1067413348.db2.gz ZBENAOAZJXCASY-OAQYLSRUSA-N 1 0 458.676 3.402 20 0 JGADRO CC(C)CC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001302824618 1067413802 /nfs/dbraw/zinc/41/38/02/1067413802.db2.gz PCMPDTPVDCHTDS-LJQANCHMSA-N 1 0 466.696 3.169 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1C ZINC001304375067 1067414255 /nfs/dbraw/zinc/41/42/55/1067414255.db2.gz JALNEIRIBKQELC-OAQYLSRUSA-N 1 0 497.688 3.177 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O)[NH+](C)C ZINC001302824868 1067414309 /nfs/dbraw/zinc/41/43/09/1067414309.db2.gz VKOYSOCFIHUIOF-QRVBRYPASA-N 1 0 479.670 3.027 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001304375207 1067415152 /nfs/dbraw/zinc/41/51/52/1067415152.db2.gz HURWGCUKEQDMSH-YADHBBJMSA-N 1 0 454.619 3.493 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001302828220 1067418157 /nfs/dbraw/zinc/41/81/57/1067418157.db2.gz HDWWSAADTCVCNQ-MOPGFXCFSA-N 1 0 462.664 3.046 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001302829212 1067418935 /nfs/dbraw/zinc/41/89/35/1067418935.db2.gz MUVKYNOYSQZVQC-GTJUCTONSA-N 1 0 461.676 3.258 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001304376815 1067418941 /nfs/dbraw/zinc/41/89/41/1067418941.db2.gz BBEAONPBAAQHBA-QFIPXVFZSA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](Cc4cnn(C)c4)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001304376838 1067418982 /nfs/dbraw/zinc/41/89/82/1067418982.db2.gz BFQXHPHIJDFHHL-OAQYLSRUSA-N 1 0 478.645 3.290 20 0 JGADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CCN1CCOC[C@@H]1C ZINC001302834335 1067421839 /nfs/dbraw/zinc/42/18/39/1067421839.db2.gz BGHVBHPESQNJMJ-QFIPXVFZSA-N 1 0 454.663 3.298 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1C ZINC001304378542 1067422424 /nfs/dbraw/zinc/42/24/24/1067422424.db2.gz NWJHMQGFYXCGOY-XJUOHMSHSA-N 1 0 468.646 3.476 20 0 JGADRO O=C(N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001302835080 1067422514 /nfs/dbraw/zinc/42/25/14/1067422514.db2.gz NPBWEDVMIUTQOL-GJZGRUSLSA-N 1 0 451.283 3.455 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1C ZINC001304379373 1067423828 /nfs/dbraw/zinc/42/38/28/1067423828.db2.gz WUIIDYNQLWSUCQ-KBMIEXCESA-N 1 0 495.653 3.213 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001304379656 1067425560 /nfs/dbraw/zinc/42/55/60/1067425560.db2.gz LINHMMYZHUKSIT-UHFFFAOYSA-N 1 0 483.661 3.276 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCc4c(cc[nH]c4=O)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001304379668 1067425581 /nfs/dbraw/zinc/42/55/81/1067425581.db2.gz LRZDHADHNBFNEB-UHFFFAOYSA-N 1 0 477.613 3.398 20 0 JGADRO CC(C)Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001302839375 1067425912 /nfs/dbraw/zinc/42/59/12/1067425912.db2.gz ZIUFUCZSZPFKLJ-UHFFFAOYSA-N 1 0 478.682 3.423 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304379874 1067426331 /nfs/dbraw/zinc/42/63/31/1067426331.db2.gz VPPDXYWZODAAER-PWHSHALESA-N 1 0 468.646 3.476 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)cc1C ZINC001304381554 1067429697 /nfs/dbraw/zinc/42/96/97/1067429697.db2.gz AATCMIBAOTUWSU-RLWLMLJZSA-N 1 0 468.646 3.476 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCSC(C)C)cc1C ZINC001304381609 1067429764 /nfs/dbraw/zinc/42/97/64/1067429764.db2.gz BYNIZUSMRKVWQR-NRFANRHFSA-N 1 0 486.686 3.447 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001302846804 1067432245 /nfs/dbraw/zinc/43/22/45/1067432245.db2.gz XXNWGOCSWGJHJE-MNAQKMTRSA-N 1 0 461.676 3.207 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCO[C@H](C)C2)cc1C ZINC001304383776 1067433401 /nfs/dbraw/zinc/43/34/01/1067433401.db2.gz LRWYESYAODHDBF-NHCUHLMSSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@H](C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304383829 1067433437 /nfs/dbraw/zinc/43/34/37/1067433437.db2.gz NCCPQMAFKBXFBT-FCHUYYIVSA-N 1 0 484.645 3.263 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302847932 1067433561 /nfs/dbraw/zinc/43/35/61/1067433561.db2.gz AMVDOCYXHBFUGV-QGZVFWFLSA-N 1 0 473.647 3.180 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001304384530 1067435286 /nfs/dbraw/zinc/43/52/86/1067435286.db2.gz RLSYVJYGFMLBSZ-JOCHJYFZSA-N 1 0 481.645 3.077 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCCC[NH+]2CCCC2)C[C@@H]1F ZINC001302851078 1067435547 /nfs/dbraw/zinc/43/55/47/1067435547.db2.gz YESDTUNWMNVIKJ-KNQAVFIVSA-N 1 0 492.665 3.256 20 0 JGADRO Cc1nccn1CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001304385277 1067437589 /nfs/dbraw/zinc/43/75/89/1067437589.db2.gz YETKGZCARMCZMV-UHFFFAOYSA-N 1 0 464.618 3.273 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001302853020 1067437688 /nfs/dbraw/zinc/43/76/88/1067437688.db2.gz QKPQSIGCIHMFFY-MUKKUYKPSA-N 1 0 488.352 3.409 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H]([C@@H]4CCCO4)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001304386196 1067439508 /nfs/dbraw/zinc/43/95/08/1067439508.db2.gz IEYPGRBSMGDWLK-VXKWHMMOSA-N 1 0 484.645 3.119 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4cccn4C)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001304386285 1067439990 /nfs/dbraw/zinc/43/99/90/1067439990.db2.gz CKJBMCMVQJTJGK-HXUWFJFHSA-N 1 0 478.645 3.430 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C2)nc1 ZINC001304386304 1067440444 /nfs/dbraw/zinc/44/04/44/1067440444.db2.gz CXEJNMPFCHXGJG-NRFANRHFSA-N 1 0 496.704 3.160 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(Nc3ccn(C)n3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001304386557 1067441453 /nfs/dbraw/zinc/44/14/53/1067441453.db2.gz HWUUCJSUEFISHK-RTBURBONSA-N 1 0 466.590 3.124 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](c4noc(C(C)C)n4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304387270 1067442588 /nfs/dbraw/zinc/44/25/88/1067442588.db2.gz VSIBUUKCDYGMTL-AZUAARDMSA-N 1 0 496.616 3.182 20 0 JGADRO C[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCCCCO)C[C@H]1C(F)(F)F ZINC001302860942 1067443368 /nfs/dbraw/zinc/44/33/68/1067443368.db2.gz REOVKALFUJQWES-IFMALSPDSA-N 1 0 494.606 3.440 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001304387714 1067444203 /nfs/dbraw/zinc/44/42/03/1067444203.db2.gz GDZOEFNMJZBMTD-VWPQPMDRSA-N 1 0 495.672 3.369 20 0 JGADRO CC(C)Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302861895 1067444241 /nfs/dbraw/zinc/44/42/41/1067444241.db2.gz ZYNRSTVHABNFEG-JOCHJYFZSA-N 1 0 459.635 3.491 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304388258 1067445573 /nfs/dbraw/zinc/44/55/73/1067445573.db2.gz ASVATIRDQRORGT-GMAHTHKFSA-N 1 0 484.645 3.404 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCCCO2)n1CCSC(F)(F)F ZINC001302865704 1067446679 /nfs/dbraw/zinc/44/66/79/1067446679.db2.gz DSVMDSQAPPAYEH-NVXWUHKLSA-N 1 0 463.570 3.462 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001304388735 1067447074 /nfs/dbraw/zinc/44/70/74/1067447074.db2.gz REPXVRSZOOWEOW-DEOSSOPVSA-N 1 0 465.627 3.161 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2cccnc2)n1CCNC(=O)C(C)(C)C ZINC001302866336 1067447371 /nfs/dbraw/zinc/44/73/71/1067447371.db2.gz KYICMTAJZVYTBB-OAQYLSRUSA-N 1 0 475.641 3.137 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(Cc2ccc(F)cc2)n1CCCOCC(F)F ZINC001302866395 1067447429 /nfs/dbraw/zinc/44/74/29/1067447429.db2.gz NQKADPCTDYGJMR-GOSISDBHSA-N 1 0 481.563 3.369 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@@]3([NH+](C)C)CCSC3)CC2)nc1 ZINC001304389289 1067448411 /nfs/dbraw/zinc/44/84/11/1067448411.db2.gz KCBQTKQDTSNZGN-VWLOTQADSA-N 1 0 485.702 3.472 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(-c4cnn(C)c4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)nc1 ZINC001304389342 1067448422 /nfs/dbraw/zinc/44/84/22/1067448422.db2.gz LEHSWOGQBPQGNV-QFIPXVFZSA-N 1 0 493.660 3.213 20 0 JGADRO CC(C)Cc1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001302871061 1067451828 /nfs/dbraw/zinc/45/18/28/1067451828.db2.gz RXQYENCOYGCBLD-OAQYLSRUSA-N 1 0 471.646 3.240 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001302872732 1067456129 /nfs/dbraw/zinc/45/61/29/1067456129.db2.gz PVBVKTRZTFNGGY-VWNXMTODSA-N 1 0 482.673 3.323 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001302873254 1067456997 /nfs/dbraw/zinc/45/69/97/1067456997.db2.gz QZBYQLFLWUEDJE-HSALFYBXSA-N 1 0 462.639 3.498 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001302875641 1067459190 /nfs/dbraw/zinc/45/91/90/1067459190.db2.gz KMVRCCCPVLYVED-QGZVFWFLSA-N 1 0 472.619 3.079 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCC2)CCN1S(C)(=O)=O ZINC001302879680 1067461472 /nfs/dbraw/zinc/46/14/72/1067461472.db2.gz PCYSOLXNPPTXHB-INIZCTEOSA-N 1 0 499.056 3.082 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)cnn1C ZINC001304400510 1067463729 /nfs/dbraw/zinc/46/37/29/1067463729.db2.gz NAXIJZGTMZAHNE-DEOSSOPVSA-N 1 0 469.659 3.281 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)CCN1C(=O)OC(C)(C)C ZINC001302882604 1067464481 /nfs/dbraw/zinc/46/44/81/1067464481.db2.gz KGJSBMXGHNUNDR-UUOWRZLLSA-N 1 0 487.674 3.223 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CCC(F)F)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001304402271 1067464744 /nfs/dbraw/zinc/46/47/44/1067464744.db2.gz RGNIWRAZBDFFLS-UHFFFAOYSA-N 1 0 451.562 3.492 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCSCCCO)cc1C ZINC001304404656 1067467339 /nfs/dbraw/zinc/46/73/39/1067467339.db2.gz QPZZKFNIGILKMK-NHCUHLMSSA-N 1 0 459.660 3.262 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302888504 1067468315 /nfs/dbraw/zinc/46/83/15/1067468315.db2.gz BHNJEKLIYUWKDA-ZEQRLZLVSA-N 1 0 466.674 3.488 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001302890547 1067470141 /nfs/dbraw/zinc/47/01/41/1067470141.db2.gz DSGFOMASKXGJGD-PMACEKPBSA-N 1 0 476.666 3.492 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001304406983 1067471114 /nfs/dbraw/zinc/47/11/14/1067471114.db2.gz LGEKZCWSIFBWHX-PCCBWWKXSA-N 1 0 459.660 3.343 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001304407135 1067471606 /nfs/dbraw/zinc/47/16/06/1067471606.db2.gz IVUSUDKUKGBDQG-SANMLTNESA-N 1 0 470.662 3.197 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001302892088 1067471659 /nfs/dbraw/zinc/47/16/59/1067471659.db2.gz AKUOCIOYOHMUOL-WSTZPKSXSA-N 1 0 455.594 3.226 20 0 JGADRO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302896236 1067476899 /nfs/dbraw/zinc/47/68/99/1067476899.db2.gz FIBYBZBFFDRWTK-QFIPXVFZSA-N 1 0 471.625 3.303 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001304410624 1067477198 /nfs/dbraw/zinc/47/71/98/1067477198.db2.gz GWUZKHDQXOYQFN-UHFFFAOYSA-N 1 0 470.662 3.494 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001304411387 1067479117 /nfs/dbraw/zinc/47/91/17/1067479117.db2.gz SWFMCVCJULDQRS-GGAORHGYSA-N 1 0 489.686 3.362 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001304411386 1067479268 /nfs/dbraw/zinc/47/92/68/1067479268.db2.gz SWFMCVCJULDQRS-FYYLOGMGSA-N 1 0 489.686 3.362 20 0 JGADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCCC2)C[C@H](C)C1(F)F ZINC001302898368 1067479553 /nfs/dbraw/zinc/47/95/53/1067479553.db2.gz CAMXPZOEUJAQOQ-CALCHBBNSA-N 1 0 466.602 3.483 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304412779 1067481868 /nfs/dbraw/zinc/48/18/68/1067481868.db2.gz NLJBJIRNIOTEEY-IFMALSPDSA-N 1 0 468.646 3.296 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001304413338 1067482867 /nfs/dbraw/zinc/48/28/67/1067482867.db2.gz SAAINFUZYFHWDJ-UHFFFAOYSA-N 1 0 475.659 3.053 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001302900190 1067482932 /nfs/dbraw/zinc/48/29/32/1067482932.db2.gz SFDOVUPOIDTRBG-DENIHFKCSA-N 1 0 453.635 3.037 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302900192 1067482988 /nfs/dbraw/zinc/48/29/88/1067482988.db2.gz SFDOVUPOIDTRBG-SIKLNZKXSA-N 1 0 453.635 3.037 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(-c4cnn(C)c4)n3CCC(C)(F)F)CC2)C[C@H](C)O1 ZINC001302901194 1067484531 /nfs/dbraw/zinc/48/45/31/1067484531.db2.gz FTDSOZXPSSOWAM-CALCHBBNSA-N 1 0 451.566 3.050 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(COc2ccc(Cl)cc2)n1CCOCC(F)F ZINC001302901592 1067485549 /nfs/dbraw/zinc/48/55/49/1067485549.db2.gz MPXNDYWCAVZJQR-KRWDZBQOSA-N 1 0 499.990 3.482 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001304415334 1067486197 /nfs/dbraw/zinc/48/61/97/1067486197.db2.gz BCLHXLTYAIMSAD-JTHBVZDNSA-N 1 0 489.686 3.362 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(F)(F)F ZINC001302902106 1067486495 /nfs/dbraw/zinc/48/64/95/1067486495.db2.gz CLAJZIBIIHPSHV-DLBZAZTESA-N 1 0 459.557 3.450 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@H]4CCCCO4)n3CCOCC(F)F)CC2)C[C@H](C)O1 ZINC001302902242 1067487041 /nfs/dbraw/zinc/48/70/41/1067487041.db2.gz ZOWWFVXTYPNMHW-WSTZPKSXSA-N 1 0 471.593 3.127 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302902189 1067487068 /nfs/dbraw/zinc/48/70/68/1067487068.db2.gz YBQPABBTPCJVRA-RZUBCFFCSA-N 1 0 495.734 3.332 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC2([NH+](C)C)CCCC2)CCN1C(=O)OC(C)(C)C ZINC001302903031 1067488028 /nfs/dbraw/zinc/48/80/28/1067488028.db2.gz UWUMIMZOBHCCAO-RBUKOAKNSA-N 1 0 462.639 3.450 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Cl)cc2)n1CCCC(=O)N(C)C ZINC001302902753 1067488127 /nfs/dbraw/zinc/48/81/27/1067488127.db2.gz OGKGXJJBCWZDBT-SFHVURJKSA-N 1 0 475.037 3.156 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2(C)COCCO2)cc1C ZINC001304417223 1067489635 /nfs/dbraw/zinc/48/96/35/1067489635.db2.gz WNFHNYYEOCYKQA-RUZDIDTESA-N 1 0 457.619 3.200 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302905401 1067490456 /nfs/dbraw/zinc/49/04/56/1067490456.db2.gz NUSMLBLRDAPAQR-BDTNDASRSA-N 1 0 462.683 3.330 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001304420354 1067495831 /nfs/dbraw/zinc/49/58/31/1067495831.db2.gz UIDDJOGMCWATLW-MHZLTWQESA-N 1 0 485.673 3.430 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001302909910 1067495840 /nfs/dbraw/zinc/49/58/40/1067495840.db2.gz YGWFCZGBBWXFNS-QFIPXVFZSA-N 1 0 459.660 3.134 20 0 JGADRO Cc1ccc(OCCCCn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001304421880 1067497581 /nfs/dbraw/zinc/49/75/81/1067497581.db2.gz AKPYCQZJLXEWOX-UHFFFAOYSA-N 1 0 468.646 3.489 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(Cl)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001302912953 1067498116 /nfs/dbraw/zinc/49/81/16/1067498116.db2.gz BWHNXPGLFNSGOT-SFHVURJKSA-N 1 0 478.037 3.361 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001304422955 1067499421 /nfs/dbraw/zinc/49/94/21/1067499421.db2.gz SQZVSWMRPDYAGJ-NHCUHLMSSA-N 1 0 459.660 3.344 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001304423267 1067499942 /nfs/dbraw/zinc/49/99/42/1067499942.db2.gz VWPUQYVIUBNPJS-URVUXULASA-N 1 0 470.618 3.077 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001302920217 1067501348 /nfs/dbraw/zinc/50/13/48/1067501348.db2.gz RMPWQRHHKZBYCN-QFIPXVFZSA-N 1 0 474.694 3.110 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001302920781 1067501687 /nfs/dbraw/zinc/50/16/87/1067501687.db2.gz XGRFNSNNVNLMIA-UNMCSNQZSA-N 1 0 482.739 3.095 20 0 JGADRO FC(F)(Br)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302923302 1067503384 /nfs/dbraw/zinc/50/33/84/1067503384.db2.gz WKXVJGRCEKHQQV-MRXNPFEDSA-N 1 0 470.362 3.481 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001302923438 1067503488 /nfs/dbraw/zinc/50/34/88/1067503488.db2.gz QCTBPBPBDSUMRX-OAQYLSRUSA-N 1 0 474.694 3.253 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1C ZINC001304425881 1067503721 /nfs/dbraw/zinc/50/37/21/1067503721.db2.gz VLVQETWWMRXHFL-BCHFMIIMSA-N 1 0 468.646 3.311 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302928220 1067505894 /nfs/dbraw/zinc/50/58/94/1067505894.db2.gz CUTXLQPVHZBVKX-QFIPXVFZSA-N 1 0 494.750 3.429 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001304429017 1067506171 /nfs/dbraw/zinc/50/61/71/1067506171.db2.gz NKFBTJMRCDLAJH-UHFFFAOYSA-N 1 0 464.614 3.399 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302928741 1067506406 /nfs/dbraw/zinc/50/64/06/1067506406.db2.gz GBSGGFODSFPREP-XPNTWCBSSA-N 1 0 494.750 3.428 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001304429054 1067506627 /nfs/dbraw/zinc/50/66/27/1067506627.db2.gz OIBXSMKFEJXNJZ-IBGZPJMESA-N 1 0 485.658 3.012 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001302931569 1067507029 /nfs/dbraw/zinc/50/70/29/1067507029.db2.gz GLKKPCVBXUVHJZ-UHFFFAOYSA-N 1 0 456.610 3.453 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001304429565 1067507018 /nfs/dbraw/zinc/50/70/18/1067507018.db2.gz QUALIODSFLSCPI-GGAORHGYSA-N 1 0 489.686 3.124 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001304430601 1067508275 /nfs/dbraw/zinc/50/82/75/1067508275.db2.gz YSLZZJGJNGIZEK-YADHBBJMSA-N 1 0 457.619 3.107 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304430598 1067508306 /nfs/dbraw/zinc/50/83/06/1067508306.db2.gz YSLZZJGJNGIZEK-FCHUYYIVSA-N 1 0 457.619 3.107 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001304430604 1067508315 /nfs/dbraw/zinc/50/83/15/1067508315.db2.gz YUGBWJVMNXMABF-JOCHJYFZSA-N 1 0 471.646 3.231 20 0 JGADRO CC(C)Cc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001302933259 1067508539 /nfs/dbraw/zinc/50/85/39/1067508539.db2.gz KPOGLGRDXZBHGY-UHFFFAOYSA-N 1 0 482.673 3.447 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302933975 1067508875 /nfs/dbraw/zinc/50/88/75/1067508875.db2.gz SDNSPBTVZZJWTB-XMMPIXPASA-N 1 0 482.673 3.186 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@H]3CCOC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001304431681 1067510004 /nfs/dbraw/zinc/51/00/04/1067510004.db2.gz KCQONJZLWNPLPH-QFIPXVFZSA-N 1 0 472.703 3.378 20 0 JGADRO CC(C)Cc1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302937060 1067510320 /nfs/dbraw/zinc/51/03/20/1067510320.db2.gz HYWREIKTLPNODG-BJKOFHAPSA-N 1 0 482.673 3.387 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001304432896 1067511831 /nfs/dbraw/zinc/51/18/31/1067511831.db2.gz IZTGZIVGTQRCNH-QHCPKHFHSA-N 1 0 456.660 3.455 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(O)CCO[C@H]2C)cc1 ZINC001304433245 1067512223 /nfs/dbraw/zinc/51/22/23/1067512223.db2.gz AKWMEXNXROZKBM-YADARESESA-N 1 0 459.660 3.386 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001302939221 1067513112 /nfs/dbraw/zinc/51/31/12/1067513112.db2.gz CURVCPXZAOHPOC-UHFFFAOYSA-N 1 0 468.646 3.267 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302940200 1067514146 /nfs/dbraw/zinc/51/41/46/1067514146.db2.gz WENQXEXPMPQDPX-NRFANRHFSA-N 1 0 468.646 3.267 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001302940194 1067514167 /nfs/dbraw/zinc/51/41/67/1067514167.db2.gz WBTJEMPBOZPWEP-IBGZPJMESA-N 1 0 456.616 3.396 20 0 JGADRO FC(F)(F)CSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302940827 1067515099 /nfs/dbraw/zinc/51/50/99/1067515099.db2.gz BYKHSJVQUGNZIY-IBGZPJMESA-N 1 0 484.592 3.108 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCc2cn[nH]c2)CC1 ZINC001302941412 1067515550 /nfs/dbraw/zinc/51/55/50/1067515550.db2.gz LQWUAWPHUXJRIP-UHFFFAOYSA-N 1 0 463.508 3.002 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001304436857 1067515530 /nfs/dbraw/zinc/51/55/30/1067515530.db2.gz HWFUOEJTXWFRNX-CYFREDJKSA-N 1 0 456.660 3.326 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCc1ccccc1Cl ZINC001302942971 1067516339 /nfs/dbraw/zinc/51/63/39/1067516339.db2.gz BACBEXSZMUXXGU-UHFFFAOYSA-N 1 0 459.038 3.117 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCNS(C)(=O)=O)cc1 ZINC001304437686 1067517296 /nfs/dbraw/zinc/51/72/96/1067517296.db2.gz GBEGFRCAVIQBIW-UHFFFAOYSA-N 1 0 494.731 3.129 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001304438167 1067517990 /nfs/dbraw/zinc/51/79/90/1067517990.db2.gz VYEMMIXKBHSXOB-AZUAARDMSA-N 1 0 468.627 3.442 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001302945158 1067518187 /nfs/dbraw/zinc/51/81/87/1067518187.db2.gz YHVMVRHZBFAOED-JOCHJYFZSA-N 1 0 498.603 3.239 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302945727 1067518823 /nfs/dbraw/zinc/51/88/23/1067518823.db2.gz JBRIBCPHXNEGOJ-RTWAWAEBSA-N 1 0 478.682 3.159 20 0 JGADRO FC(F)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001302947484 1067520873 /nfs/dbraw/zinc/52/08/73/1067520873.db2.gz HMFIKBGHZPKZCO-UHFFFAOYSA-N 1 0 470.515 3.420 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001302948901 1067522295 /nfs/dbraw/zinc/52/22/95/1067522295.db2.gz VRBPWXFUWBUAGB-JTHBVZDNSA-N 1 0 452.647 3.446 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302948993 1067522809 /nfs/dbraw/zinc/52/28/09/1067522809.db2.gz WMALDLNCSVLJEO-OTWHNJEPSA-N 1 0 460.589 3.049 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C3Cc4ccccc4C3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001302953646 1067525240 /nfs/dbraw/zinc/52/52/40/1067525240.db2.gz AGQCAPCRCYWKJF-JGCGQSQUSA-N 1 0 457.688 3.313 20 0 JGADRO Cc1cccc(C(=O)NCCn2c(N3CCC(OCC[NH+]4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001304443942 1067526068 /nfs/dbraw/zinc/52/60/68/1067526068.db2.gz YNFFMJQOQCAMRD-UHFFFAOYSA-N 1 0 482.673 3.395 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302957503 1067528824 /nfs/dbraw/zinc/52/88/24/1067528824.db2.gz QNPDBKSTFKAHKJ-TZIWHRDSSA-N 1 0 486.627 3.440 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302958778 1067530416 /nfs/dbraw/zinc/53/04/16/1067530416.db2.gz JCGYISVDURBFIG-QHCPKHFHSA-N 1 0 487.737 3.122 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001302959159 1067531103 /nfs/dbraw/zinc/53/11/03/1067531103.db2.gz PGOFDYIOCRZRPA-DEOSSOPVSA-N 1 0 495.716 3.382 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC1(O)CCCCCC1 ZINC001302961594 1067532821 /nfs/dbraw/zinc/53/28/21/1067532821.db2.gz OVXKBQFLEOYCII-HSZRJFAPSA-N 1 0 455.647 3.418 20 0 JGADRO Fc1cc(Cl)ccc1-c1nnc(N2CCN(CC(F)F)CC2)n1CC[N@H+]1CC=CCC1 ZINC001302962102 1067533696 /nfs/dbraw/zinc/53/36/96/1067533696.db2.gz XDWSNMMJJHOSDL-UHFFFAOYSA-N 1 0 454.928 3.387 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302962189 1067533767 /nfs/dbraw/zinc/53/37/67/1067533767.db2.gz VPNFJFHWVGLAQQ-QFIPXVFZSA-N 1 0 476.616 3.155 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)N(C)[C@H](C)c3ccccc3)n2CC[NH+]2CCCC2)n1 ZINC001304452961 1067533973 /nfs/dbraw/zinc/53/39/73/1067533973.db2.gz IRGQMYAHENRJMW-OAQYLSRUSA-N 1 0 461.614 3.400 20 0 JGADRO Cc1cccc(-c2nnc(N(C)C3CCN(C(=O)c4ccccc4)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304453247 1067534408 /nfs/dbraw/zinc/53/44/08/1067534408.db2.gz WGDSHHQNRLTMQN-FQEVSTJZSA-N 1 0 461.614 3.340 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001302964429 1067534903 /nfs/dbraw/zinc/53/49/03/1067534903.db2.gz FZDMFEOEYKQSMU-UHFFFAOYSA-N 1 0 453.660 3.412 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302964968 1067534974 /nfs/dbraw/zinc/53/49/74/1067534974.db2.gz LUAZFRGNMJKZKB-GOSISDBHSA-N 1 0 467.536 3.424 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001304453632 1067535232 /nfs/dbraw/zinc/53/52/32/1067535232.db2.gz SXFQDQGHMFDPAU-IBGZPJMESA-N 1 0 491.640 3.309 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304453743 1067535272 /nfs/dbraw/zinc/53/52/72/1067535272.db2.gz WKSDIDBWZLNKAI-UHFFFAOYSA-N 1 0 499.566 3.112 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@](C)(O)c1ccccc1 ZINC001302965979 1067536283 /nfs/dbraw/zinc/53/62/83/1067536283.db2.gz MGRSTFXLUFCIST-QSEAXJEQSA-N 1 0 468.690 3.379 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001302966187 1067536312 /nfs/dbraw/zinc/53/63/12/1067536312.db2.gz OFIDFIOKQMORNC-UKILVPOCSA-N 1 0 468.690 3.403 20 0 JGADRO Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001304455941 1067536745 /nfs/dbraw/zinc/53/67/45/1067536745.db2.gz WLADHNVKISDCMV-QGZVFWFLSA-N 1 0 455.632 3.192 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302974532 1067540837 /nfs/dbraw/zinc/54/08/37/1067540837.db2.gz GKYSHCMKBZELLC-QFIPXVFZSA-N 1 0 463.573 3.180 20 0 JGADRO Cc1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)n1 ZINC001304462698 1067540932 /nfs/dbraw/zinc/54/09/32/1067540932.db2.gz ARAMFPSPSLIGPZ-GOSISDBHSA-N 1 0 450.509 3.194 20 0 JGADRO Cc1cccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304464111 1067542539 /nfs/dbraw/zinc/54/25/39/1067542539.db2.gz JAXPRUKJWJLKGG-SFTDATJTSA-N 1 0 461.614 3.226 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001302977064 1067542873 /nfs/dbraw/zinc/54/28/73/1067542873.db2.gz QFZCVYDMTILAKN-VWLOTQADSA-N 1 0 485.673 3.112 20 0 JGADRO Fc1ccccc1OCc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCCOCC(F)F ZINC001302977514 1067543528 /nfs/dbraw/zinc/54/35/28/1067543528.db2.gz NCRHYVWRMRLIHJ-QGZVFWFLSA-N 1 0 453.509 3.343 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2([NH+](C)C)CCCC2)n1 ZINC001304466190 1067544235 /nfs/dbraw/zinc/54/42/35/1067544235.db2.gz UYSSZMXWATWHMN-KRWDZBQOSA-N 1 0 479.551 3.028 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC2([NH+](C)C)CCCC2)n1 ZINC001304466191 1067544344 /nfs/dbraw/zinc/54/43/44/1067544344.db2.gz UYSSZMXWATWHMN-QGZVFWFLSA-N 1 0 479.551 3.028 20 0 JGADRO Cc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001304466060 1067544384 /nfs/dbraw/zinc/54/43/84/1067544384.db2.gz RPKIMZXMYZZGQN-HXUWFJFHSA-N 1 0 456.635 3.279 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001304467783 1067546589 /nfs/dbraw/zinc/54/65/89/1067546589.db2.gz RGLDLEZUZOOCEL-PZJWPPBQSA-N 1 0 469.634 3.434 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304468550 1067547307 /nfs/dbraw/zinc/54/73/07/1067547307.db2.gz HLERJUNPWHKLTE-FPOVZHCZSA-N 1 0 467.662 3.464 20 0 JGADRO CC(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302984302 1067547734 /nfs/dbraw/zinc/54/77/34/1067547734.db2.gz CQNCTTSWIUAWTJ-IFMALSPDSA-N 1 0 459.660 3.012 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304469746 1067548622 /nfs/dbraw/zinc/54/86/22/1067548622.db2.gz QSEHYWLJUOFZGV-LJQANCHMSA-N 1 0 453.635 3.075 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302987794 1067549331 /nfs/dbraw/zinc/54/93/31/1067549331.db2.gz YICVXZKYMRWHDX-JTSKRJEESA-N 1 0 452.669 3.017 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)n1 ZINC001304474128 1067552040 /nfs/dbraw/zinc/55/20/40/1067552040.db2.gz HLUOPDRZIQFOIF-HXUWFJFHSA-N 1 0 491.640 3.249 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)N4CCCCC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304477447 1067555571 /nfs/dbraw/zinc/55/55/71/1067555571.db2.gz IXCFJDHCQCTBEU-QFIPXVFZSA-N 1 0 482.677 3.353 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304478090 1067556461 /nfs/dbraw/zinc/55/64/61/1067556461.db2.gz QPTGDOUXESTEGU-OYRHEFFESA-N 1 0 467.662 3.321 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCC[NH+]2CCCCC2)n1 ZINC001304478424 1067557034 /nfs/dbraw/zinc/55/70/34/1067557034.db2.gz DDJJKHVOQBENHO-UHFFFAOYSA-N 1 0 453.635 3.219 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(c4ncccc4F)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304478405 1067557110 /nfs/dbraw/zinc/55/71/10/1067557110.db2.gz HSBKOASCOJQRDZ-UHFFFAOYSA-N 1 0 452.582 3.097 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(c4cccnn4)CC3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304478602 1067557303 /nfs/dbraw/zinc/55/73/03/1067557303.db2.gz LDVVETFMENNPAV-UHFFFAOYSA-N 1 0 463.634 3.274 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[N@H+](Cc4ccccc4)CC3)n2CC(=O)NCC(F)(F)F)n1 ZINC001304478983 1067558058 /nfs/dbraw/zinc/55/80/58/1067558058.db2.gz LXMRWPZPVAMCJC-UHFFFAOYSA-N 1 0 487.530 3.039 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCNC(=O)C(C)(C)C)n1 ZINC001304480184 1067559756 /nfs/dbraw/zinc/55/97/56/1067559756.db2.gz JNQJSBJNPCDAAX-UHFFFAOYSA-N 1 0 455.651 3.369 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001303002776 1067560344 /nfs/dbraw/zinc/56/03/44/1067560344.db2.gz HAEOLMLCHARMEU-UXIGSVSMSA-N 1 0 462.683 3.304 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCN(C)C(=O)OC(C)(C)C)n1 ZINC001304480949 1067560706 /nfs/dbraw/zinc/56/07/06/1067560706.db2.gz WDIBOONFZLGFRP-OAQYLSRUSA-N 1 0 499.660 3.064 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CC=CCC2)n1 ZINC001304484465 1067563611 /nfs/dbraw/zinc/56/36/11/1067563611.db2.gz KFJBGCOTFXJCMY-IBGZPJMESA-N 1 0 453.591 3.014 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001304484437 1067563721 /nfs/dbraw/zinc/56/37/21/1067563721.db2.gz JOWFIQOMRWHSSM-ROUUACIJSA-N 1 0 455.607 3.235 20 0 JGADRO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC001304489096 1067567739 /nfs/dbraw/zinc/56/77/39/1067567739.db2.gz CFJHYRTYAKNVJR-VXKWHMMOSA-N 1 0 467.662 3.453 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001303017705 1067571142 /nfs/dbraw/zinc/57/11/42/1067571142.db2.gz UTHZYIVEXBJTIX-HFZDXXHNSA-N 1 0 470.662 3.141 20 0 JGADRO Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC001304499762 1067574586 /nfs/dbraw/zinc/57/45/86/1067574586.db2.gz CCXNTXNWWVOIRX-FGZHOGPDSA-N 1 0 497.688 3.305 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001304504098 1067578162 /nfs/dbraw/zinc/57/81/62/1067578162.db2.gz RDHKEJVMYBXFOU-FQEVSTJZSA-N 1 0 454.619 3.132 20 0 JGADRO CC(C)CCCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001303026653 1067578474 /nfs/dbraw/zinc/57/84/74/1067578474.db2.gz HCAWMMCQHJSTRW-HSZRJFAPSA-N 1 0 455.651 3.008 20 0 JGADRO NC(=O)[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCCC2)C1 ZINC001303032159 1067580370 /nfs/dbraw/zinc/58/03/70/1067580370.db2.gz CVXGVXBACLKOJY-GOSISDBHSA-N 1 0 460.573 3.115 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC2(O)CCOCC2)c1 ZINC001304508464 1067582317 /nfs/dbraw/zinc/58/23/17/1067582317.db2.gz ZPCQSQGVZCSTPZ-UHFFFAOYSA-N 1 0 457.619 3.064 20 0 JGADRO NC(=O)C[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCCC2)C1 ZINC001303037816 1067583097 /nfs/dbraw/zinc/58/30/97/1067583097.db2.gz WMRJJTNEMMHXOZ-MRXNPFEDSA-N 1 0 478.439 3.004 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001304509372 1067583798 /nfs/dbraw/zinc/58/37/98/1067583798.db2.gz QLTMVDPQHOAQFU-QHCPKHFHSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001304509694 1067584169 /nfs/dbraw/zinc/58/41/69/1067584169.db2.gz HGLCKGTWCKZNEA-BDTNDASRSA-N 1 0 468.646 3.235 20 0 JGADRO CC(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001303040085 1067585159 /nfs/dbraw/zinc/58/51/59/1067585159.db2.gz GCGIZMHNBNOTNQ-JOCHJYFZSA-N 1 0 472.609 3.175 20 0 JGADRO CC(C)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303039988 1067585171 /nfs/dbraw/zinc/58/51/71/1067585171.db2.gz BJJBXAFUDADPMG-UYAOXDASSA-N 1 0 454.685 3.168 20 0 JGADRO CC(C)CCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001303041059 1067585868 /nfs/dbraw/zinc/58/58/68/1067585868.db2.gz NJBCWXNETZNQSV-NRFANRHFSA-N 1 0 472.609 3.175 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCC(=O)N2CCCCCC2)c1 ZINC001304511045 1067586110 /nfs/dbraw/zinc/58/61/10/1067586110.db2.gz GJAOBJXSLDJQRC-UHFFFAOYSA-N 1 0 468.646 3.489 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001303041580 1067586196 /nfs/dbraw/zinc/58/61/96/1067586196.db2.gz RUEWPFJUCGSJMZ-UHFFFAOYSA-N 1 0 453.429 3.365 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCn2cc(Cl)cn2)c1 ZINC001304511596 1067587522 /nfs/dbraw/zinc/58/75/22/1067587522.db2.gz GFZIVYZWNFJSIN-UHFFFAOYSA-N 1 0 458.010 3.494 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001304512456 1067589205 /nfs/dbraw/zinc/58/92/05/1067589205.db2.gz PLIDKNCYJQFGPT-FCHUYYIVSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001304512460 1067589356 /nfs/dbraw/zinc/58/93/56/1067589356.db2.gz PLIDKNCYJQFGPT-VXKWHMMOSA-N 1 0 468.646 3.343 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303047952 1067589692 /nfs/dbraw/zinc/58/96/92/1067589692.db2.gz OFZNPYJSVOYTHC-UHFFFAOYSA-N 1 0 466.634 3.102 20 0 JGADRO O=C(CCCCc1ccc(Br)cc1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303049508 1067590444 /nfs/dbraw/zinc/59/04/44/1067590444.db2.gz FSSSYTCHLYXAJT-NRFANRHFSA-N 1 0 452.437 3.075 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001304513807 1067591026 /nfs/dbraw/zinc/59/10/26/1067591026.db2.gz DQWHJKMLYMVHIX-QZNHQXDQSA-N 1 0 468.646 3.199 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[NH+]2CCOCC2)c1 ZINC001304514060 1067591331 /nfs/dbraw/zinc/59/13/31/1067591331.db2.gz ZWMWHVHZXSMRGA-FQEVSTJZSA-N 1 0 483.535 3.045 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001304514611 1067591633 /nfs/dbraw/zinc/59/16/33/1067591633.db2.gz KMQJESPPHSMNSQ-FBPBVXOASA-N 1 0 471.646 3.260 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001304515033 1067591682 /nfs/dbraw/zinc/59/16/82/1067591682.db2.gz MNHKMYKTAADTLK-RDPSFJRHSA-N 1 0 459.660 3.245 20 0 JGADRO Cc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N3CC[NH+](CC(C)C)CC3)c[nH]c21 ZINC001304519238 1067594552 /nfs/dbraw/zinc/59/45/52/1067594552.db2.gz YWPUEIGRNCHUGR-UHFFFAOYSA-N 1 0 451.619 3.227 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304520025 1067595617 /nfs/dbraw/zinc/59/56/17/1067595617.db2.gz KKGWZAHRWJWFQP-SFYKDHMMSA-N 1 0 477.700 3.123 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304520028 1067595667 /nfs/dbraw/zinc/59/56/67/1067595667.db2.gz KKGWZAHRWJWFQP-YYDVJCTNSA-N 1 0 477.700 3.123 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304520026 1067595685 /nfs/dbraw/zinc/59/56/85/1067595685.db2.gz KKGWZAHRWJWFQP-YCRNBWNJSA-N 1 0 477.700 3.123 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2C)n1CC1([NH+](C)C)CCOCC1 ZINC001304520718 1067596322 /nfs/dbraw/zinc/59/63/22/1067596322.db2.gz BRAMGASCMIJHBV-UHFFFAOYSA-N 1 0 451.619 3.351 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)Cc2ccccn2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304521566 1067596813 /nfs/dbraw/zinc/59/68/13/1067596813.db2.gz LHYMKZPVIBBYGC-QHCPKHFHSA-N 1 0 461.614 3.228 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304523602 1067597876 /nfs/dbraw/zinc/59/78/76/1067597876.db2.gz MJNGSUZZLMZPRF-QFIPXVFZSA-N 1 0 476.601 3.184 20 0 JGADRO O=C(c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCSC(F)(F)F)N1CCCC1 ZINC001303062263 1067598064 /nfs/dbraw/zinc/59/80/64/1067598064.db2.gz MWLYBRCLNCODRW-UHFFFAOYSA-N 1 0 474.597 3.469 20 0 JGADRO O=C(c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCSCC(F)(F)F)N1CCCC1 ZINC001303062669 1067598438 /nfs/dbraw/zinc/59/84/38/1067598438.db2.gz PTKUHEHILTYYLM-UHFFFAOYSA-N 1 0 474.597 3.264 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001304525182 1067598732 /nfs/dbraw/zinc/59/87/32/1067598732.db2.gz BMMZWVJKXPUDAR-FQEVSTJZSA-N 1 0 488.683 3.138 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001304530644 1067602215 /nfs/dbraw/zinc/60/22/15/1067602215.db2.gz YCUKSUAJIRPXAD-QGZVFWFLSA-N 1 0 464.536 3.243 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001304530574 1067602308 /nfs/dbraw/zinc/60/23/08/1067602308.db2.gz BKPVUDLRXBXQAR-HXUWFJFHSA-N 1 0 459.660 3.387 20 0 JGADRO O=C(Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)NCC(F)F ZINC001303070930 1067605342 /nfs/dbraw/zinc/60/53/42/1067605342.db2.gz NSORKRWEDSHORE-OAHLLOKOSA-N 1 0 497.388 3.154 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304535551 1067606155 /nfs/dbraw/zinc/60/61/55/1067606155.db2.gz PXYAFCUUOUNSLK-XMMPIXPASA-N 1 0 495.716 3.364 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001304536554 1067607411 /nfs/dbraw/zinc/60/74/11/1067607411.db2.gz BNFHVWQIFFPHRG-NRFANRHFSA-N 1 0 480.579 3.295 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304536686 1067607711 /nfs/dbraw/zinc/60/77/11/1067607711.db2.gz DFSSPWMEBQMNRZ-SZPZYZBQSA-N 1 0 468.646 3.057 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCOCC[NH+](C)C ZINC001304536846 1067607776 /nfs/dbraw/zinc/60/77/76/1067607776.db2.gz IJSWMBNUFNNBMU-HXUWFJFHSA-N 1 0 472.634 3.277 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001304537370 1067608687 /nfs/dbraw/zinc/60/86/87/1067608687.db2.gz OYQHRPZVRZWAHS-HXUWFJFHSA-N 1 0 480.579 3.437 20 0 JGADRO CCOC(=O)c1sc([C@H]2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C2)nc1C ZINC001303076197 1067609273 /nfs/dbraw/zinc/60/92/73/1067609273.db2.gz NFCRWXMRNGRXMI-FQEVSTJZSA-N 1 0 456.612 3.005 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCCC[NH+]1CCOCC1 ZINC001304538525 1067610143 /nfs/dbraw/zinc/61/01/43/1067610143.db2.gz UADJPCWCZWBIJY-UHFFFAOYSA-N 1 0 466.552 3.050 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCCC[NH+]1CCOCC1 ZINC001304538580 1067610177 /nfs/dbraw/zinc/61/01/77/1067610177.db2.gz VOBKGPROIALETB-UHFFFAOYSA-N 1 0 498.569 3.388 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001304538619 1067610215 /nfs/dbraw/zinc/61/02/15/1067610215.db2.gz ZCCQTPAHALKISN-LJQANCHMSA-N 1 0 480.579 3.437 20 0 JGADRO Cc1ccccc1[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCCCC2)CCO1 ZINC001304541052 1067611374 /nfs/dbraw/zinc/61/13/74/1067611374.db2.gz CESFJENPDMZCLJ-QFIPXVFZSA-N 1 0 454.619 3.179 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001304546925 1067616006 /nfs/dbraw/zinc/61/60/06/1067616006.db2.gz KIGVAIHQEJWDPV-JOCHJYFZSA-N 1 0 461.676 3.310 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304549096 1067618104 /nfs/dbraw/zinc/61/81/04/1067618104.db2.gz DCPDZDOANHRDIP-OAQYLSRUSA-N 1 0 461.676 3.026 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCCC(=O)N(C)C ZINC001304549965 1067619272 /nfs/dbraw/zinc/61/92/72/1067619272.db2.gz DIHLDVJHXMAUHW-QFIPXVFZSA-N 1 0 452.647 3.358 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001304551054 1067620546 /nfs/dbraw/zinc/62/05/46/1067620546.db2.gz ONVXCABFLLMIIJ-QFIPXVFZSA-N 1 0 473.687 3.169 20 0 JGADRO O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc(C3CCC3)n2CCCCC[NH+]2CCCC2)C1 ZINC001303087390 1067621065 /nfs/dbraw/zinc/62/10/65/1067621065.db2.gz PRJSYECFNGJXQA-SFHVURJKSA-N 1 0 456.557 3.317 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001304553725 1067622796 /nfs/dbraw/zinc/62/27/96/1067622796.db2.gz ZRKQWSVFBHTQIG-SANMLTNESA-N 1 0 454.663 3.066 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CC(C)(C)C[NH+](C)C ZINC001304554283 1067623696 /nfs/dbraw/zinc/62/36/96/1067623696.db2.gz YZKKBKPEJZWLOC-UHFFFAOYSA-N 1 0 452.647 3.214 20 0 JGADRO O=C(NCc1nnc(N2CCCCCCC2)n1CCCC[NH+]1CCOCC1)c1cccs1 ZINC001303089514 1067625451 /nfs/dbraw/zinc/62/54/51/1067625451.db2.gz LUVIUMZQBSUQLV-UHFFFAOYSA-N 1 0 460.648 3.153 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(C3CCC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001303089740 1067625912 /nfs/dbraw/zinc/62/59/12/1067625912.db2.gz HDNKKQXXQBYNNT-UHFFFAOYSA-N 1 0 480.723 3.164 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001303089644 1067625932 /nfs/dbraw/zinc/62/59/32/1067625932.db2.gz DZGREELDDMEVDC-IBGZPJMESA-N 1 0 473.584 3.434 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C)CC2)CC1 ZINC001303090228 1067626719 /nfs/dbraw/zinc/62/67/19/1067626719.db2.gz PMCNNYUMZABJBT-IBGZPJMESA-N 1 0 468.712 3.273 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(c3cccs3)CC2)n1CCOCC[NH+](C)C ZINC001304558623 1067627217 /nfs/dbraw/zinc/62/72/17/1067627217.db2.gz AAOQMIMYIYEXSG-UHFFFAOYSA-N 1 0 454.644 3.144 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304560281 1067629878 /nfs/dbraw/zinc/62/98/78/1067629878.db2.gz GIZQGMFSMNGDSL-SQJMNOBHSA-N 1 0 454.619 3.185 20 0 JGADRO O=C(C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303097490 1067634688 /nfs/dbraw/zinc/63/46/88/1067634688.db2.gz GRFUUPGQLCQQIO-SFHVURJKSA-N 1 0 484.567 3.233 20 0 JGADRO Cc1ccccc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304567266 1067635365 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CC(C)[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001303276981 1067804728 /nfs/dbraw/zinc/80/47/28/1067804728.db2.gz QFCAQFNFPVXRJA-IBGZPJMESA-N 1 0 481.519 3.479 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001303277900 1067805253 /nfs/dbraw/zinc/80/52/53/1067805253.db2.gz WWXLMFUNEKPMIK-UHFFFAOYSA-N 1 0 465.646 3.316 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303278254 1067805859 /nfs/dbraw/zinc/80/58/59/1067805859.db2.gz ZZFBGENMNSAUER-PMACEKPBSA-N 1 0 464.655 3.348 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001303278420 1067806208 /nfs/dbraw/zinc/80/62/08/1067806208.db2.gz DBGVNYXGCFOLTK-NRFANRHFSA-N 1 0 477.675 3.118 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001303278648 1067807145 /nfs/dbraw/zinc/80/71/45/1067807145.db2.gz MAZCBCZESGZYRX-GOSISDBHSA-N 1 0 475.037 3.346 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F ZINC001303278965 1067808373 /nfs/dbraw/zinc/80/83/73/1067808373.db2.gz WWTONPARFVEIRT-VQIMIIECSA-N 1 0 468.597 3.030 20 0 JGADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CC[NH+](C(C)C)C(C)C)C2)n1 ZINC001304734661 1067808749 /nfs/dbraw/zinc/80/87/49/1067808749.db2.gz UOGILIJPASESKT-QFIPXVFZSA-N 1 0 470.666 3.288 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CCCc4ccccc4)n3C[C@@H](C)[NH+](C)C)C2)n1 ZINC001304737119 1067811235 /nfs/dbraw/zinc/81/12/35/1067811235.db2.gz OZKRAXFNEZXFEC-AUSIDOKSSA-N 1 0 450.635 3.453 20 0 JGADRO CC(C)N(Cc1ccco1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303285270 1067812333 /nfs/dbraw/zinc/81/23/33/1067812333.db2.gz RMQOMCKFLXNHBL-CEYNDMKZSA-N 1 0 488.633 3.123 20 0 JGADRO CC(C)N(Cc1ccco1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303285271 1067812487 /nfs/dbraw/zinc/81/24/87/1067812487.db2.gz RMQOMCKFLXNHBL-HHJKRLRDSA-N 1 0 488.633 3.123 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cccc(O)c3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304738888 1067812749 /nfs/dbraw/zinc/81/27/49/1067812749.db2.gz ZWGYAAVFGIMZFX-FQEVSTJZSA-N 1 0 467.618 3.154 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304739463 1067813199 /nfs/dbraw/zinc/81/31/99/1067813199.db2.gz DHMMQRVVBUVHGO-BGYRXZFFSA-N 1 0 492.672 3.243 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1)C(C)C ZINC001303291150 1067815255 /nfs/dbraw/zinc/81/52/55/1067815255.db2.gz CYOOSOYYUYRRDP-UXHICEINSA-N 1 0 470.618 3.014 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001304740371 1067815432 /nfs/dbraw/zinc/81/54/32/1067815432.db2.gz JKUTZJTVVQEOCQ-RXVVDRJESA-N 1 0 486.690 3.193 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1)C(C)C ZINC001303291276 1067815546 /nfs/dbraw/zinc/81/55/46/1067815546.db2.gz MSOMNNALQNVTBV-VWLOTQADSA-N 1 0 467.593 3.481 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001303291545 1067815580 /nfs/dbraw/zinc/81/55/80/1067815580.db2.gz JMPCZEOZRHVWFN-SFTDATJTSA-N 1 0 494.681 3.021 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCNC2=O)CC1)C(C)C ZINC001303291382 1067815827 /nfs/dbraw/zinc/81/58/27/1067815827.db2.gz HORYPWYBYISGQE-OAQYLSRUSA-N 1 0 461.655 3.023 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001303291544 1067815863 /nfs/dbraw/zinc/81/58/63/1067815863.db2.gz JMPCZEOZRHVWFN-RTWAWAEBSA-N 1 0 494.681 3.021 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1)C(C)C ZINC001303291552 1067816075 /nfs/dbraw/zinc/81/60/75/1067816075.db2.gz JRBBMQIKGGXLJQ-UHFFFAOYSA-N 1 0 490.656 3.130 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)C(C)C ZINC001303291570 1067816241 /nfs/dbraw/zinc/81/62/41/1067816241.db2.gz KEDRNXMRAMQKCW-PKTZIBPZSA-N 1 0 456.635 3.157 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1)C(C)C ZINC001303292432 1067817939 /nfs/dbraw/zinc/81/79/39/1067817939.db2.gz ZOHIZQOMVVCXIN-HSZRJFAPSA-N 1 0 495.672 3.091 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C ZINC001303292638 1067818316 /nfs/dbraw/zinc/81/83/16/1067818316.db2.gz LBBPOPWEYVSDGK-AEFFLSMTSA-N 1 0 492.466 3.117 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(C)C ZINC001303292788 1067818346 /nfs/dbraw/zinc/81/83/46/1067818346.db2.gz PJAZXZOJGLKIBR-ZZLPTCMGSA-N 1 0 474.694 3.420 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C ZINC001303292833 1067818769 /nfs/dbraw/zinc/81/87/69/1067818769.db2.gz QMDIBARXONUSCZ-QFIPXVFZSA-N 1 0 495.466 3.161 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001303295357 1067819137 /nfs/dbraw/zinc/81/91/37/1067819137.db2.gz CFAQKPZDNPYSGE-IBGZPJMESA-N 1 0 472.659 3.179 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1)C(C)C ZINC001303295828 1067819759 /nfs/dbraw/zinc/81/97/59/1067819759.db2.gz IXWJMPSDMJDHEW-RUZDIDTESA-N 1 0 451.619 3.257 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)C(C)C ZINC001303296187 1067820103 /nfs/dbraw/zinc/82/01/03/1067820103.db2.gz QTRXXCNJBLODBW-UHFFFAOYSA-N 1 0 499.660 3.423 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001303296829 1067820391 /nfs/dbraw/zinc/82/03/91/1067820391.db2.gz LMKNEGSXMGJOBO-FQEVSTJZSA-N 1 0 468.067 3.264 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001303296662 1067820444 /nfs/dbraw/zinc/82/04/44/1067820444.db2.gz CVSDIHZQKYJKMG-UHFFFAOYSA-N 1 0 481.645 3.343 20 0 JGADRO CC(C)[NH+](CCn1c(N2CCC(C(=O)Nc3nncs3)CC2)nnc1C(C)(C)C)C(C)C ZINC001303296649 1067820545 /nfs/dbraw/zinc/82/05/45/1067820545.db2.gz CNWKPYDLYSNLNO-UHFFFAOYSA-N 1 0 462.668 3.401 20 0 JGADRO CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1)C(C)C ZINC001303297131 1067820902 /nfs/dbraw/zinc/82/09/02/1067820902.db2.gz ODDLBBJQSLBWHM-FGZHOGPDSA-N 1 0 460.667 3.162 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)C(C)C ZINC001303296928 1067820987 /nfs/dbraw/zinc/82/09/87/1067820987.db2.gz MXBRNMXSGWBLFY-WOJBJXKFSA-N 1 0 463.529 3.380 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)C(C)C ZINC001303296925 1067821063 /nfs/dbraw/zinc/82/10/63/1067821063.db2.gz MXBRNMXSGWBLFY-UXHICEINSA-N 1 0 463.529 3.380 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C ZINC001303297242 1067821283 /nfs/dbraw/zinc/82/12/83/1067821283.db2.gz PWBSVZQOWADTSP-XMMPIXPASA-N 1 0 476.572 3.297 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(Cc4ccncc4)n3CCCOC(F)(F)F)CC2)CC1 ZINC001303297746 1067821726 /nfs/dbraw/zinc/82/17/26/1067821726.db2.gz MIOCJSIOKCRVFW-UHFFFAOYSA-N 1 0 495.594 3.185 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc([C@H]4CCCCO4)n3CCOC(C)(C)C)CC2)CC1 ZINC001303297741 1067821757 /nfs/dbraw/zinc/82/17/57/1067821757.db2.gz MFEZLBVEQVKLIY-JOCHJYFZSA-N 1 0 462.683 3.330 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3CCS(=O)(=O)C(C)(C)C)CC2)CC1 ZINC001303297689 1067821780 /nfs/dbraw/zinc/82/17/80/1067821780.db2.gz JPJKLOUKNKKPNR-UHFFFAOYSA-N 1 0 496.766 3.075 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001303297690 1067821878 /nfs/dbraw/zinc/82/18/78/1067821878.db2.gz JPLFNRQMAHAPDV-UHFFFAOYSA-N 1 0 499.566 3.075 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H]2C)CC1 ZINC001303298206 1067822683 /nfs/dbraw/zinc/82/26/83/1067822683.db2.gz PXSBSMIUKMUASC-OAHLLOKOSA-N 1 0 451.413 3.260 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3CCc3cccc(C(N)=O)c3)CC2)CC1 ZINC001303298118 1067822782 /nfs/dbraw/zinc/82/27/82/1067822782.db2.gz ONUWUYQXDZHSTH-UHFFFAOYSA-N 1 0 495.716 3.203 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4ccccc4)n3CCC(=O)NC(C)(C)C)CC2)CC1 ZINC001303298383 1067823246 /nfs/dbraw/zinc/82/32/46/1067823246.db2.gz RYHGJEIBNYVXDC-UHFFFAOYSA-N 1 0 481.689 3.245 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001303298634 1067823581 /nfs/dbraw/zinc/82/35/81/1067823581.db2.gz NLXJAMBSGVCWLY-JOCHJYFZSA-N 1 0 486.636 3.392 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc([C@H]4CCOC4)n3CCSCC(F)(F)F)CC2)CC1 ZINC001303298418 1067823673 /nfs/dbraw/zinc/82/36/73/1067823673.db2.gz UAMBJVKPFOKPAO-SFHVURJKSA-N 1 0 490.640 3.072 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)C(C)C ZINC001303299325 1067823866 /nfs/dbraw/zinc/82/38/66/1067823866.db2.gz SBUGJRWYVMQCPQ-JOCHJYFZSA-N 1 0 487.693 3.013 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)C(C)C ZINC001303299681 1067823908 /nfs/dbraw/zinc/82/39/08/1067823908.db2.gz XPXBRJUTCMQZCM-MRXNPFEDSA-N 1 0 467.540 3.272 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001303299042 1067824007 /nfs/dbraw/zinc/82/40/07/1067824007.db2.gz YBBJIIJNJGEBRS-GOSISDBHSA-N 1 0 460.648 3.008 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C[C@@H]3CCCO3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304745180 1067824183 /nfs/dbraw/zinc/82/41/83/1067824183.db2.gz GQVSLQIREHEABX-UXHICEINSA-N 1 0 457.648 3.337 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001304745637 1067825012 /nfs/dbraw/zinc/82/50/12/1067825012.db2.gz TUANILLIQOODRG-NHCUHLMSSA-N 1 0 475.682 3.279 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001303301297 1067825393 /nfs/dbraw/zinc/82/53/93/1067825393.db2.gz GFOAKZYHPUUMNL-FQEVSTJZSA-N 1 0 479.629 3.134 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001303301631 1067825676 /nfs/dbraw/zinc/82/56/76/1067825676.db2.gz LSBPIIUKWNZKKR-MRXNPFEDSA-N 1 0 451.040 3.171 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001303301483 1067825701 /nfs/dbraw/zinc/82/57/01/1067825701.db2.gz IKGPUOZOAXVIDH-QGZVFWFLSA-N 1 0 466.001 3.446 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001303301994 1067826333 /nfs/dbraw/zinc/82/63/33/1067826333.db2.gz YLGXHWLSLZWKPI-SFHVURJKSA-N 1 0 466.001 3.446 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CCCC3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001303301920 1067826417 /nfs/dbraw/zinc/82/64/17/1067826417.db2.gz VMHGCDVORIGMAL-UHFFFAOYSA-N 1 0 450.031 3.194 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccccc3F)nnc2N2CCC(F)(F)C2)CC1 ZINC001303302201 1067826622 /nfs/dbraw/zinc/82/66/22/1067826622.db2.gz FEYCHOBGMMRKMR-UHFFFAOYSA-N 1 0 453.509 3.077 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(F)(F)F)CC1 ZINC001303302246 1067826863 /nfs/dbraw/zinc/82/68/63/1067826863.db2.gz GSGLXXNIEVMUTR-IAGOWNOFSA-N 1 0 461.573 3.431 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CCc3ccccc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001303302486 1067827242 /nfs/dbraw/zinc/82/72/42/1067827242.db2.gz JWECQWAAJPMQMR-NRFANRHFSA-N 1 0 455.647 3.302 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)nnc2C(C)(C)C)CC1 ZINC001303302981 1067828261 /nfs/dbraw/zinc/82/82/61/1067828261.db2.gz PDVJAFBTVOGILV-LJQANCHMSA-N 1 0 478.682 3.257 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001304748453 1067828334 /nfs/dbraw/zinc/82/83/34/1067828334.db2.gz AEXHEQMELUOYTQ-SFTDATJTSA-N 1 0 483.686 3.459 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303401 1067828834 /nfs/dbraw/zinc/82/88/34/1067828834.db2.gz GOGBRSDBMCCRBI-RTWAWAEBSA-N 1 0 476.666 3.350 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304749529 1067829159 /nfs/dbraw/zinc/82/91/59/1067829159.db2.gz LMMFVLHDFIDXPT-NZQKXSOJSA-N 1 0 465.646 3.259 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](c2ccco2)[NH+](C)C)n1 ZINC001304750439 1067830490 /nfs/dbraw/zinc/83/04/90/1067830490.db2.gz PXSIGQFSBUBXHU-LJQANCHMSA-N 1 0 455.607 3.429 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(N3CCN(CC(=O)NCc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303304272 1067830532 /nfs/dbraw/zinc/83/05/32/1067830532.db2.gz FQHJMEXMWVQTRM-XMMPIXPASA-N 1 0 495.716 3.134 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)C2CC2)CC1 ZINC001303304146 1067830699 /nfs/dbraw/zinc/83/06/99/1067830699.db2.gz CYHNWTRDAUKYHA-OAQYLSRUSA-N 1 0 465.440 3.128 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304298 1067831070 /nfs/dbraw/zinc/83/10/70/1067831070.db2.gz NCGYNCQEWZRRRJ-RTBURBONSA-N 1 0 481.613 3.215 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304297 1067831284 /nfs/dbraw/zinc/83/12/84/1067831284.db2.gz NCGYNCQEWZRRRJ-RBUKOAKNSA-N 1 0 481.613 3.215 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001304751229 1067831573 /nfs/dbraw/zinc/83/15/73/1067831573.db2.gz JPWWHDGJCPINTG-QFIPXVFZSA-N 1 0 498.701 3.199 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001303305051 1067832647 /nfs/dbraw/zinc/83/26/47/1067832647.db2.gz QTHKBSKWGVWOLD-QUCCMNQESA-N 1 0 459.038 3.310 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303305453 1067833619 /nfs/dbraw/zinc/83/36/19/1067833619.db2.gz QMOCJTKPTWLLJW-RBUKOAKNSA-N 1 0 486.583 3.145 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001303305946 1067834506 /nfs/dbraw/zinc/83/45/06/1067834506.db2.gz WZLDPPNSKQIMDQ-HXUWFJFHSA-N 1 0 455.651 3.099 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001303306142 1067835063 /nfs/dbraw/zinc/83/50/63/1067835063.db2.gz ZDENWPCQSWGQQX-PMACEKPBSA-N 1 0 476.666 3.396 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2COCCO2)CC1 ZINC001303307672 1067835757 /nfs/dbraw/zinc/83/57/57/1067835757.db2.gz HKDXQIRTRKQVIE-KRWDZBQOSA-N 1 0 482.398 3.183 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CCCN2CCOCC2)CC1 ZINC001303307891 1067836075 /nfs/dbraw/zinc/83/60/75/1067836075.db2.gz MBRUHUIPEIQNLJ-UHFFFAOYSA-N 1 0 491.478 3.350 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001303308240 1067836594 /nfs/dbraw/zinc/83/65/94/1067836594.db2.gz UTESFNHRXOBPND-GOSISDBHSA-N 1 0 466.051 3.344 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)CC1 ZINC001303310788 1067839702 /nfs/dbraw/zinc/83/97/02/1067839702.db2.gz LXMPOQKLCRVNSH-UHFFFAOYSA-N 1 0 451.413 3.261 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303310968 1067839962 /nfs/dbraw/zinc/83/99/62/1067839962.db2.gz OWMINNFVZIQPCC-FQEVSTJZSA-N 1 0 475.037 3.346 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001304756290 1067840139 /nfs/dbraw/zinc/84/01/39/1067840139.db2.gz LWGYVQXSIBISFT-CTNGQTDRSA-N 1 0 486.665 3.118 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001303311068 1067840166 /nfs/dbraw/zinc/84/01/66/1067840166.db2.gz VHQSIZZUAPRYMX-IBGZPJMESA-N 1 0 450.628 3.007 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303311708 1067841014 /nfs/dbraw/zinc/84/10/14/1067841014.db2.gz IWJPKKBIBDLLGJ-IBGZPJMESA-N 1 0 486.970 3.392 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304756859 1067841250 /nfs/dbraw/zinc/84/12/50/1067841250.db2.gz VPHLYEAEXWNOTN-FQEVSTJZSA-N 1 0 488.681 3.221 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)CC1 ZINC001303312069 1067841455 /nfs/dbraw/zinc/84/14/55/1067841455.db2.gz XMSSGQIYCMGCQK-UHFFFAOYSA-N 1 0 461.492 3.255 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](n4nc(C)cc4C)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304757179 1067841587 /nfs/dbraw/zinc/84/15/87/1067841587.db2.gz ZEOLDTKIWPYZEN-JOCHJYFZSA-N 1 0 453.639 3.135 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303312065 1067841690 /nfs/dbraw/zinc/84/16/90/1067841690.db2.gz XJCGDUQGUKENRZ-IBGZPJMESA-N 1 0 486.970 3.392 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001303313847 1067842575 /nfs/dbraw/zinc/84/25/75/1067842575.db2.gz SZWLSXADNOIUAZ-LJQANCHMSA-N 1 0 498.619 3.347 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001303316592 1067843685 /nfs/dbraw/zinc/84/36/85/1067843685.db2.gz GBKPLUYEQMCEER-UHFFFAOYSA-N 1 0 468.646 3.269 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001304759381 1067844737 /nfs/dbraw/zinc/84/47/37/1067844737.db2.gz KYNRQTFRKKEIDL-SANMLTNESA-N 1 0 483.636 3.398 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303316901 1067844867 /nfs/dbraw/zinc/84/48/67/1067844867.db2.gz FIFIJFFBWFOZNQ-QFIPXVFZSA-N 1 0 494.606 3.247 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 ZINC001303317083 1067845549 /nfs/dbraw/zinc/84/55/49/1067845549.db2.gz PGTYJKKJVZPIEK-UHFFFAOYSA-N 1 0 466.051 3.296 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001303317369 1067845787 /nfs/dbraw/zinc/84/57/87/1067845787.db2.gz WOCTWOZNGDSLNH-RTBURBONSA-N 1 0 464.655 3.252 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001303317367 1067845900 /nfs/dbraw/zinc/84/59/00/1067845900.db2.gz WMQVNSAHXYLKGO-FGTMMUONSA-N 1 0 484.592 3.003 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CCOC[C@H]2C)CC1 ZINC001303317289 1067846074 /nfs/dbraw/zinc/84/60/74/1067846074.db2.gz SXXCMBCVZUQKID-GOSISDBHSA-N 1 0 497.471 3.415 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001303317429 1067846526 /nfs/dbraw/zinc/84/65/26/1067846526.db2.gz NJGUKBQLEBLJBY-IBGZPJMESA-N 1 0 463.573 3.121 20 0 JGADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3CCC[C@@H]3CCCCO3)CC2)C1 ZINC001303317716 1067846876 /nfs/dbraw/zinc/84/68/76/1067846876.db2.gz BNNLGKVMSFFNNR-GOTSBHOMSA-N 1 0 476.710 3.156 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001304761131 1067847607 /nfs/dbraw/zinc/84/76/07/1067847607.db2.gz VRVVWYNEDGZTQE-HXUWFJFHSA-N 1 0 496.626 3.477 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3ccsc3)C2)CC1 ZINC001303317768 1067847694 /nfs/dbraw/zinc/84/76/94/1067847694.db2.gz CRCCYECCGBKRBJ-SQJMNOBHSA-N 1 0 474.719 3.441 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccccn4)n3CCSC(F)(F)F)C2)CC1 ZINC001303317938 1067847956 /nfs/dbraw/zinc/84/79/56/1067847956.db2.gz FYZLHTDGVDTXRO-IBGZPJMESA-N 1 0 483.608 3.122 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2nnc(C(C)(C)C)s2)n1 ZINC001304761290 1067847986 /nfs/dbraw/zinc/84/79/86/1067847986.db2.gz ZEKJSGJMIIBNRZ-UHFFFAOYSA-N 1 0 471.679 3.258 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001304761521 1067848465 /nfs/dbraw/zinc/84/84/65/1067848465.db2.gz YDCWUUCINQLOPN-HXUWFJFHSA-N 1 0 496.626 3.335 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303318218 1067848531 /nfs/dbraw/zinc/84/85/31/1067848531.db2.gz LJJUEOIJWVSHTI-IFMALSPDSA-N 1 0 489.709 3.091 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(Cc4cccnc4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318354 1067849076 /nfs/dbraw/zinc/84/90/76/1067849076.db2.gz PHFKASPEJJQYCK-IBGZPJMESA-N 1 0 483.608 3.122 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCn4cc(C(F)(F)F)nc4C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304762863 1067850440 /nfs/dbraw/zinc/85/04/40/1067850440.db2.gz FNFFWQVUEXBRTE-UHFFFAOYSA-N 1 0 479.555 3.106 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCC(C)(C)C)CC2)CC1 ZINC001303318732 1067850522 /nfs/dbraw/zinc/85/05/22/1067850522.db2.gz ZQHCYBBZPYOKHD-OAQYLSRUSA-N 1 0 459.683 3.050 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC001303318686 1067850574 /nfs/dbraw/zinc/85/05/74/1067850574.db2.gz YIYMBSLRDANRGO-RTWAWAEBSA-N 1 0 499.670 3.356 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001304763033 1067850961 /nfs/dbraw/zinc/85/09/61/1067850961.db2.gz NPGVQTJFRYBEJN-IFMALSPDSA-N 1 0 451.619 3.446 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4cccc(F)c4)C3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304763654 1067852297 /nfs/dbraw/zinc/85/22/97/1067852297.db2.gz QYFKFMJQZPMQAR-QFIPXVFZSA-N 1 0 469.609 3.445 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001304763701 1067852329 /nfs/dbraw/zinc/85/23/29/1067852329.db2.gz RJSJRVUXXQNOLA-PKTZIBPZSA-N 1 0 469.609 3.443 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001304763809 1067852482 /nfs/dbraw/zinc/85/24/82/1067852482.db2.gz SSGRCJKVEYTBFR-HKUYNNGSSA-N 1 0 469.556 3.172 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](c4nc(C(C)(C)C)cs4)C3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304764152 1067852985 /nfs/dbraw/zinc/85/29/85/1067852985.db2.gz UOZVVMOTQAEXSV-RTBURBONSA-N 1 0 486.690 3.422 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4nc(C(C)(C)C)cs4)C3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304764149 1067853007 /nfs/dbraw/zinc/85/30/07/1067853007.db2.gz UOZVVMOTQAEXSV-MOPGFXCFSA-N 1 0 486.690 3.422 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001303327828 1067855648 /nfs/dbraw/zinc/85/56/48/1067855648.db2.gz KYPNNAYARQSLLP-RBBKRZOGSA-N 1 0 482.608 3.106 20 0 JGADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC001304765940 1067856197 /nfs/dbraw/zinc/85/61/97/1067856197.db2.gz IMVQTFQOSDDCRN-NFBKMPQASA-N 1 0 499.708 3.196 20 0 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CC(C)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001305063637 1068133271 /nfs/dbraw/zinc/13/32/71/1068133271.db2.gz IJPZJADAVBVTOB-AZUAARDMSA-N 1 0 457.623 3.449 20 0 JGADRO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001303603167 1068134294 /nfs/dbraw/zinc/13/42/94/1068134294.db2.gz QSGPHXQCDMKWGK-HYHKQLJDSA-N 1 0 459.660 3.327 20 0 JGADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001305063987 1068134653 /nfs/dbraw/zinc/13/46/53/1068134653.db2.gz JSNAHHKETJYIKJ-RTBURBONSA-N 1 0 486.583 3.182 20 0 JGADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1)[NH+]1CCC(C)CC1 ZINC001305064938 1068136404 /nfs/dbraw/zinc/13/64/04/1068136404.db2.gz WRDTXBOAPQGLNY-HSALFYBXSA-N 1 0 462.664 3.206 20 0 JGADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCO2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305065925 1068137429 /nfs/dbraw/zinc/13/74/29/1068137429.db2.gz JNHLVCIMMYMSGT-NNMXDRDESA-N 1 0 490.674 3.095 20 0 JGADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccncc2)n1CC[NH+]1CCCCC1 ZINC001303605377 1068138202 /nfs/dbraw/zinc/13/82/02/1068138202.db2.gz CGFQPTDTJFOOBE-QFIPXVFZSA-N 1 0 475.641 3.406 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001305066351 1068138478 /nfs/dbraw/zinc/13/84/78/1068138478.db2.gz OFUMNQBIAFLQSY-GUDVDZBRSA-N 1 0 486.583 3.145 20 0 JGADRO C[C@H](Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001305066651 1068138563 /nfs/dbraw/zinc/13/85/63/1068138563.db2.gz OPGONYPNTHIEOD-TZIWHRDSSA-N 1 0 476.666 3.081 20 0 JGADRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303605605 1068138825 /nfs/dbraw/zinc/13/88/25/1068138825.db2.gz ZMBDKDQOUBEQLY-NVXHTHCOSA-N 1 0 495.697 3.301 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305067094 1068139689 /nfs/dbraw/zinc/13/96/89/1068139689.db2.gz PRUSFXCRFISUFQ-VQTJNVASSA-N 1 0 472.600 3.367 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305067194 1068139715 /nfs/dbraw/zinc/13/97/15/1068139715.db2.gz QTVYPNZVYHUPSQ-LJQANCHMSA-N 1 0 465.568 3.069 20 0 JGADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccccn2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303606730 1068141607 /nfs/dbraw/zinc/14/16/07/1068141607.db2.gz PPSBDQLDNQVPIV-IBVKSMDESA-N 1 0 493.681 3.433 20 0 JGADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001305068278 1068141718 /nfs/dbraw/zinc/14/17/18/1068141718.db2.gz VZNFPKKCWLWPGF-NRFANRHFSA-N 1 0 489.686 3.033 20 0 JGADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccccn2)n1CC1([NH+](C)C)CCC1 ZINC001303606950 1068142128 /nfs/dbraw/zinc/14/21/28/1068142128.db2.gz UKFNKRLWZXNFDG-NRFANRHFSA-N 1 0 475.641 3.404 20 0 JGADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001303606945 1068142182 /nfs/dbraw/zinc/14/21/82/1068142182.db2.gz UJTQQZDPDYWFRZ-HXUWFJFHSA-N 1 0 470.662 3.342 20 0 JGADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001305069037 1068142756 /nfs/dbraw/zinc/14/27/56/1068142756.db2.gz YMHMRZBTDFEMCE-GGAORHGYSA-N 1 0 489.686 3.033 20 0 JGADRO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)[C@H]1C ZINC001305070197 1068144580 /nfs/dbraw/zinc/14/45/80/1068144580.db2.gz CHXIJQRYXLONNK-DXIQSLLYSA-N 1 0 489.064 3.333 20 0 JGADRO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)[C@H]1C ZINC001305070200 1068144599 /nfs/dbraw/zinc/14/45/99/1068144599.db2.gz CHXIJQRYXLONNK-XQBPLPMBSA-N 1 0 489.064 3.333 20 0 JGADRO C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001305071306 1068145074 /nfs/dbraw/zinc/14/50/74/1068145074.db2.gz DMJKPQPDDQUYSV-INIZCTEOSA-N 1 0 464.456 3.156 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001305072703 1068146895 /nfs/dbraw/zinc/14/68/95/1068146895.db2.gz FZVWANCXJPZOGD-YJYMSZOUSA-N 1 0 454.800 3.274 20 0 JGADRO C[C@H](CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)C1)[NH+]1CCCCC1 ZINC001305080752 1068153679 /nfs/dbraw/zinc/15/36/79/1068153679.db2.gz PLHJHPDVZMMWKT-VQTJNVASSA-N 1 0 474.675 3.306 20 0 JGADRO C[C@@H]1[C@@H](C)CCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCOCC(F)F ZINC001305093800 1068161229 /nfs/dbraw/zinc/16/12/29/1068161229.db2.gz KTYZOLQQZAFQOT-VQTJNVASSA-N 1 0 462.589 3.159 20 0 JGADRO C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)[C@H]1C ZINC001305096789 1068163933 /nfs/dbraw/zinc/16/39/33/1068163933.db2.gz UUKPMRARDVRKHC-UMGGQSCQSA-N 1 0 462.639 3.161 20 0 JGADRO C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001305097026 1068164399 /nfs/dbraw/zinc/16/43/99/1068164399.db2.gz VDAHAOBVZYZYIF-RTWAWAEBSA-N 1 0 468.646 3.066 20 0 JGADRO C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001305100641 1068167465 /nfs/dbraw/zinc/16/74/65/1068167465.db2.gz YTDRIDDLAUSYSY-WOJBJXKFSA-N 1 0 487.718 3.026 20 0 JGADRO CC1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001305102153 1068167908 /nfs/dbraw/zinc/16/79/08/1068167908.db2.gz ODMWKYAFIOFXQY-UHFFFAOYSA-N 1 0 457.667 3.332 20 0 JGADRO CC1CC[NH+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)CC1 ZINC001305102368 1068168435 /nfs/dbraw/zinc/16/84/35/1068168435.db2.gz RMKBOVZSXOXOOV-FQEVSTJZSA-N 1 0 451.681 3.461 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305102404 1068168446 /nfs/dbraw/zinc/16/84/46/1068168446.db2.gz SIMNSHAXKYCJDW-UXHICEINSA-N 1 0 468.712 3.273 20 0 JGADRO CC1CC[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001305102943 1068169511 /nfs/dbraw/zinc/16/95/11/1068169511.db2.gz ZSZAEYZIKZKKTF-QFIPXVFZSA-N 1 0 484.693 3.322 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CCOC1 ZINC001305103005 1068169553 /nfs/dbraw/zinc/16/95/53/1068169553.db2.gz BRPJUEBDZAXAIM-DHLKQENFSA-N 1 0 463.667 3.446 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305103315 1068170433 /nfs/dbraw/zinc/17/04/33/1068170433.db2.gz FCQPBIOFLFIJFN-WOJBJXKFSA-N 1 0 472.609 3.346 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103601 1068171022 /nfs/dbraw/zinc/17/10/22/1068171022.db2.gz JNTXIHAKJOSQSZ-UHFFFAOYSA-N 1 0 454.619 3.192 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C1CC1)[NH+](C)C ZINC001303643923 1068171419 /nfs/dbraw/zinc/17/14/19/1068171419.db2.gz BOSHOAWRTKDCAC-SJKOYZFVSA-N 1 0 483.842 3.401 20 0 JGADRO CC1CC[NH+](CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001305103983 1068171486 /nfs/dbraw/zinc/17/14/86/1068171486.db2.gz PWTGLEQBSFYGHB-IBGZPJMESA-N 1 0 452.594 3.394 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303643921 1068171556 /nfs/dbraw/zinc/17/15/56/1068171556.db2.gz BOSHOAWRTKDCAC-PXAZEXFGSA-N 1 0 483.842 3.401 20 0 JGADRO CC1CC[NH+](CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001305103865 1068171553 /nfs/dbraw/zinc/17/15/53/1068171553.db2.gz OWZLANIISLRCMY-IBGZPJMESA-N 1 0 459.038 3.311 20 0 JGADRO CC1CC[NH+](CCCCn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001305103970 1068171558 /nfs/dbraw/zinc/17/15/58/1068171558.db2.gz POVYNWQQCSZZRS-LJQANCHMSA-N 1 0 460.648 3.007 20 0 JGADRO CC1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001305104117 1068172020 /nfs/dbraw/zinc/17/20/20/1068172020.db2.gz SYMODTHFQBFOII-SFTDATJTSA-N 1 0 476.666 3.255 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3ccccn3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CC1 ZINC001305104188 1068172027 /nfs/dbraw/zinc/17/20/27/1068172027.db2.gz BCTMXKFFAMCHKS-UHFFFAOYSA-N 1 0 493.578 3.357 20 0 JGADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(CCc4ccccc4)n3CC(=O)N(C)C)C2)CC1 ZINC001305104889 1068172533 /nfs/dbraw/zinc/17/25/33/1068172533.db2.gz AICBBIYXOLJMOG-QHCPKHFHSA-N 1 0 452.647 3.100 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccc2Br)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303644411 1068173045 /nfs/dbraw/zinc/17/30/45/1068173045.db2.gz JKCRXKLMKGVIMW-WMLDXEAASA-N 1 0 475.391 3.304 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001305105809 1068173596 /nfs/dbraw/zinc/17/35/96/1068173596.db2.gz FJCOFXBZISTZKG-QGZVFWFLSA-N 1 0 454.040 3.200 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001305106091 1068174140 /nfs/dbraw/zinc/17/41/40/1068174140.db2.gz BIHCESMQBGBSPN-FGZHOGPDSA-N 1 0 460.667 3.240 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(c3ccsc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001305107040 1068175805 /nfs/dbraw/zinc/17/58/05/1068175805.db2.gz NABOTCAZGGZTPY-SFHVURJKSA-N 1 0 480.704 3.066 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303648265 1068176822 /nfs/dbraw/zinc/17/68/22/1068176822.db2.gz WGOKIKQRAXWNKG-AWEZNQCLSA-N 1 0 466.428 3.000 20 0 JGADRO CC1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001305108031 1068176866 /nfs/dbraw/zinc/17/68/66/1068176866.db2.gz QYZAVHGOWYJTNJ-NHCUHLMSSA-N 1 0 476.666 3.350 20 0 JGADRO CC1CC[NH+](CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001305108379 1068177356 /nfs/dbraw/zinc/17/73/56/1068177356.db2.gz RRVRIBMMDLVXTL-NHCUHLMSSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001303649722 1068179045 /nfs/dbraw/zinc/17/90/45/1068179045.db2.gz AEBMEUARLDKIMM-KNQAVFIVSA-N 1 0 454.619 3.254 20 0 JGADRO CC1CC[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001305109535 1068179476 /nfs/dbraw/zinc/17/94/76/1068179476.db2.gz RGGPLCWZLLXOSL-UHFFFAOYSA-N 1 0 499.626 3.101 20 0 JGADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc([C@H]4CCCO4)n3CCC(=O)NC(C)(C)C)C2)CC1 ZINC001305109735 1068180168 /nfs/dbraw/zinc/18/01/68/1068180168.db2.gz TYXYCSXXDZOREZ-LEWJYISDSA-N 1 0 460.667 3.383 20 0 JGADRO C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001305110365 1068181203 /nfs/dbraw/zinc/18/12/03/1068181203.db2.gz HOMCRZSXGPWXMT-JOCHJYFZSA-N 1 0 487.737 3.168 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3cccnc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305110658 1068181794 /nfs/dbraw/zinc/18/17/94/1068181794.db2.gz NTEVWABAEWQXAM-QFIPXVFZSA-N 1 0 483.661 3.489 20 0 JGADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(-c4ccccn4)n3CCSCCCO)C2)CC1 ZINC001305110569 1068181808 /nfs/dbraw/zinc/18/18/08/1068181808.db2.gz ZRWYDXWIRLCVKG-OAQYLSRUSA-N 1 0 458.676 3.404 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3CCN(C(=O)c4ccccc4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305111262 1068182852 /nfs/dbraw/zinc/18/28/52/1068182852.db2.gz ALXSFMSONXWGDQ-OYRHEFFESA-N 1 0 482.673 3.426 20 0 JGADRO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1C ZINC001305111286 1068182927 /nfs/dbraw/zinc/18/29/27/1068182927.db2.gz AWJGMIGRTHRBKB-FCGDIQPGSA-N 1 0 474.675 3.250 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305111622 1068183607 /nfs/dbraw/zinc/18/36/07/1068183607.db2.gz BKMRWBNKIFPKQA-HBMCJLEFSA-N 1 0 462.683 3.278 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)CC2COC(C)(C)OC2)C[C@H](C)O1 ZINC001305111744 1068184026 /nfs/dbraw/zinc/18/40/26/1068184026.db2.gz BSONAFWLZMRUMA-OALUTQOASA-N 1 0 474.650 3.007 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001305111708 1068184032 /nfs/dbraw/zinc/18/40/32/1068184032.db2.gz FPWYGLXIIPSLNS-XJUOHMSHSA-N 1 0 482.673 3.043 20 0 JGADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305111774 1068184897 /nfs/dbraw/zinc/18/48/97/1068184897.db2.gz CBFPTDBEUHIJBD-OYRHEFFESA-N 1 0 499.704 3.255 20 0 JGADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305111775 1068184928 /nfs/dbraw/zinc/18/49/28/1068184928.db2.gz CBFPTDBEUHIJBD-SFTDATJTSA-N 1 0 499.704 3.255 20 0 JGADRO CC(C)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305111951 1068184938 /nfs/dbraw/zinc/18/49/38/1068184938.db2.gz HVOXFWPDHZMBCH-ZRZAMGCNSA-N 1 0 496.700 3.256 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@@H](C)O1 ZINC001305112051 1068185421 /nfs/dbraw/zinc/18/54/21/1068185421.db2.gz DUPHNWIMBMJWOD-RCCFBDPRSA-N 1 0 475.037 3.153 20 0 JGADRO CC(C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305112450 1068186818 /nfs/dbraw/zinc/18/68/18/1068186818.db2.gz HTCBJVZZXBLICD-OALUTQOASA-N 1 0 461.680 3.068 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCc2nccs2)C[C@H](C)O1 ZINC001305112619 1068187395 /nfs/dbraw/zinc/18/73/95/1068187395.db2.gz NMDHYKPIRRVVKG-OALUTQOASA-N 1 0 469.659 3.287 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CC(C)(C)OC(C)(C)C2)C[C@@H](C)O1 ZINC001305112729 1068188027 /nfs/dbraw/zinc/18/80/27/1068188027.db2.gz OZWOVQBXQYYRBF-VAMGGRTRSA-N 1 0 463.667 3.454 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2C[C@H](C)S[C@@H](C)C2)C[C@@H](C)O1 ZINC001305113068 1068188562 /nfs/dbraw/zinc/18/85/62/1068188562.db2.gz RBXHNYAYHIIHDM-ZRNYENFQSA-N 1 0 458.676 3.482 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)S[C@@H](C)C2)C[C@@H](C)O1 ZINC001305113066 1068188603 /nfs/dbraw/zinc/18/86/03/1068188603.db2.gz RBXHNYAYHIIHDM-WTGUMLROSA-N 1 0 458.676 3.482 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)O1 ZINC001305113065 1068188612 /nfs/dbraw/zinc/18/86/12/1068188612.db2.gz RBXHNYAYHIIHDM-FGYAAKKASA-N 1 0 458.676 3.482 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3CCO[C@H](c4nccs4)C3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305112934 1068188632 /nfs/dbraw/zinc/18/86/32/1068188632.db2.gz QRZSAMDXNXZBLT-KURKYZTESA-N 1 0 462.664 3.498 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnn(C)c2)C[C@H](C)O1 ZINC001305113129 1068188665 /nfs/dbraw/zinc/18/86/65/1068188665.db2.gz SAHYRGBENBGKBJ-HDICACEKSA-N 1 0 487.599 3.405 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001305113626 1068189978 /nfs/dbraw/zinc/18/99/78/1068189978.db2.gz BKLFKQYXHGOWDI-UZLBHIALSA-N 1 0 456.591 3.039 20 0 JGADRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)c2cccc(CS(N)(=O)=O)c2)cc1 ZINC001303657930 1068190426 /nfs/dbraw/zinc/19/04/26/1068190426.db2.gz VJJAVTXSTICRSF-UHFFFAOYSA-N 1 0 453.564 3.238 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C[C@H](C)O1 ZINC001305114487 1068192329 /nfs/dbraw/zinc/19/23/29/1068192329.db2.gz YMNWGNCMWCBBKJ-VSKRKVRLSA-N 1 0 482.673 3.008 20 0 JGADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001303662255 1068193361 /nfs/dbraw/zinc/19/33/61/1068193361.db2.gz DGRVOURNQYLNAT-WMZHIEFXSA-N 1 0 457.619 3.140 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303663159 1068194306 /nfs/dbraw/zinc/19/43/06/1068194306.db2.gz LFFGKGZPENRQGZ-RBUKOAKNSA-N 1 0 464.618 3.300 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[NH+]1CCCCC1 ZINC001305116418 1068195570 /nfs/dbraw/zinc/19/55/70/1068195570.db2.gz RFPUUOCCVLXWFA-OAHLLOKOSA-N 1 0 451.402 3.405 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305116439 1068195573 /nfs/dbraw/zinc/19/55/73/1068195573.db2.gz FWQXJGDGDPZGAE-BVZFJXPGSA-N 1 0 470.687 3.347 20 0 JGADRO C[C@@H](CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303664453 1068197245 /nfs/dbraw/zinc/19/72/45/1068197245.db2.gz KTYIGYSCJLRUEK-VXKWHMMOSA-N 1 0 488.702 3.317 20 0 JGADRO C[C@@H](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303665876 1068199386 /nfs/dbraw/zinc/19/93/86/1068199386.db2.gz GSQIEGARRBZFGH-SIKLNZKXSA-N 1 0 493.649 3.274 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303667493 1068202384 /nfs/dbraw/zinc/20/23/84/1068202384.db2.gz HNBNEPIVIMSPHB-NJYVYQBISA-N 1 0 476.666 3.492 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@H+]1CC=CCC1 ZINC001305120756 1068202569 /nfs/dbraw/zinc/20/25/69/1068202569.db2.gz XFPZYHNYFYZCQX-HNNXBMFYSA-N 1 0 493.837 3.290 20 0 JGADRO C[C@H](CCn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCCC1 ZINC001303668344 1068203041 /nfs/dbraw/zinc/20/30/41/1068203041.db2.gz ZESPFXICTHLAMP-GGAORHGYSA-N 1 0 473.687 3.341 20 0 JGADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC001303669014 1068203491 /nfs/dbraw/zinc/20/34/91/1068203491.db2.gz RQJPJIPEIXQWDN-CTNGQTDRSA-N 1 0 454.619 3.418 20 0 JGADRO C[C@H](CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303669963 1068204409 /nfs/dbraw/zinc/20/44/09/1068204409.db2.gz XBDWIGMWNIPFDQ-HSALFYBXSA-N 1 0 462.639 3.150 20 0 JGADRO C[C@H](CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303669651 1068204415 /nfs/dbraw/zinc/20/44/15/1068204415.db2.gz VJRUUKHLPNUKGS-RTWAWAEBSA-N 1 0 476.666 3.494 20 0 JGADRO C[C@@H](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCCCC1 ZINC001303670385 1068204466 /nfs/dbraw/zinc/20/44/66/1068204466.db2.gz YMIORJSRZWHIJJ-BXKMTCNYSA-N 1 0 460.573 3.113 20 0 JGADRO C[C@H](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCCCC1 ZINC001303670387 1068204507 /nfs/dbraw/zinc/20/45/07/1068204507.db2.gz YMIORJSRZWHIJJ-OSPHWJPCSA-N 1 0 460.573 3.113 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001303669908 1068204530 /nfs/dbraw/zinc/20/45/30/1068204530.db2.gz WKSWSRXJFXXIBF-IEBWSBKVSA-N 1 0 487.592 3.479 20 0 JGADRO COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001303671301 1068204966 /nfs/dbraw/zinc/20/49/66/1068204966.db2.gz YZYTXJZQIVYPAS-YPAWHYETSA-N 1 0 467.566 3.398 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001303671671 1068205828 /nfs/dbraw/zinc/20/58/28/1068205828.db2.gz GKNOZSYOQUOWLI-LJQANCHMSA-N 1 0 469.634 3.375 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC(C)(C)O1 ZINC001305122978 1068206328 /nfs/dbraw/zinc/20/63/28/1068206328.db2.gz PPUXQOHGFIGLRX-RBUKOAKNSA-N 1 0 455.607 3.194 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H](C(F)(F)F)O1 ZINC001305123538 1068208295 /nfs/dbraw/zinc/20/82/95/1068208295.db2.gz GVPVOSYFNZVHSS-IXDOHACOSA-N 1 0 495.550 3.202 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303672572 1068208588 /nfs/dbraw/zinc/20/85/88/1068208588.db2.gz TWTHEEKFUHUERX-RBBKRZOGSA-N 1 0 499.660 3.144 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303672570 1068208600 /nfs/dbraw/zinc/20/86/00/1068208600.db2.gz TWTHEEKFUHUERX-IFMALSPDSA-N 1 0 499.660 3.144 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)CCS1 ZINC001305123603 1068208748 /nfs/dbraw/zinc/20/87/48/1068208748.db2.gz SVLWJXTUUCJAIY-QGZVFWFLSA-N 1 0 463.051 3.289 20 0 JGADRO C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)[NH+](C)C ZINC001305130546 1068215672 /nfs/dbraw/zinc/21/56/72/1068215672.db2.gz BVPLTBKNSJHPCE-GUDVDZBRSA-N 1 0 461.582 3.282 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H](C)c1nccs1 ZINC001303678525 1068215988 /nfs/dbraw/zinc/21/59/88/1068215988.db2.gz MDFKYHCSGNGODG-KRWDZBQOSA-N 1 0 480.642 3.229 20 0 JGADRO COc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(C(=O)OC(C)(C)C)CC2)cc1O ZINC001303679181 1068216708 /nfs/dbraw/zinc/21/67/08/1068216708.db2.gz VPBBHIPDRBINTA-BGYRXZFFSA-N 1 0 459.587 3.018 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001305131423 1068216731 /nfs/dbraw/zinc/21/67/31/1068216731.db2.gz CUVIMILPYNRPQQ-HOTGVXAUSA-N 1 0 453.429 3.390 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCSCC2)C[C@H](C)O1 ZINC001305132448 1068218356 /nfs/dbraw/zinc/21/83/56/1068218356.db2.gz IKOCELILNKPSAL-HOTGVXAUSA-N 1 0 466.449 3.370 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305132801 1068218712 /nfs/dbraw/zinc/21/87/12/1068218712.db2.gz JVNPIBWWHDFCHQ-JTJHWIPRSA-N 1 0 461.582 3.018 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CC=CCC2)CCS1 ZINC001305133582 1068219994 /nfs/dbraw/zinc/21/99/94/1068219994.db2.gz OYFXWSBFCKZRJO-HNNXBMFYSA-N 1 0 451.438 3.250 20 0 JGADRO C[C@H]1OCC[C@]12CN(c1nnc(-c3cc(Br)c[nH]3)n1CC(C)(C)C[NH+](C)C)C[C@@H](C)O2 ZINC001305133310 1068220021 /nfs/dbraw/zinc/22/00/21/1068220021.db2.gz NMRXJHWYZRPJEH-MCFFVMPBSA-N 1 0 495.466 3.396 20 0 JGADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1Br)[N@H+](C)C1CC1 ZINC001303683722 1068221445 /nfs/dbraw/zinc/22/14/45/1068221445.db2.gz DPZMGDBGXZNCBA-MRXNPFEDSA-N 1 0 475.435 3.396 20 0 JGADRO CC(C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001305135076 1068222539 /nfs/dbraw/zinc/22/25/39/1068222539.db2.gz MZGRZVJCIAURTA-IBGZPJMESA-N 1 0 454.619 3.238 20 0 JGADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](Oc2ccccc2Cl)C1)[NH+](C)C ZINC001303685153 1068223110 /nfs/dbraw/zinc/22/31/10/1068223110.db2.gz OHJCMVDAHYNORK-IRXDYDNUSA-N 1 0 469.977 3.187 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001305135409 1068223592 /nfs/dbraw/zinc/22/35/92/1068223592.db2.gz HALDKKSBPQIUAV-RHSMWYFYSA-N 1 0 461.916 3.333 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCCC[NH+]2CCOCC2)CCOC1 ZINC001305135615 1068224251 /nfs/dbraw/zinc/22/42/51/1068224251.db2.gz HXRRPOFJFVGRED-BWKNWUBXSA-N 1 0 463.667 3.304 20 0 JGADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC001303687379 1068225194 /nfs/dbraw/zinc/22/51/94/1068225194.db2.gz JZGOYPRXZWATKY-ROUUACIJSA-N 1 0 480.654 3.142 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001303687695 1068225615 /nfs/dbraw/zinc/22/56/15/1068225615.db2.gz VZZSRCYXMFQPRO-GOSISDBHSA-N 1 0 461.010 3.165 20 0 JGADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1)Sc1ccccc1 ZINC001303688886 1068228203 /nfs/dbraw/zinc/22/82/03/1068228203.db2.gz PQKGJGDAHNDGMS-OALUTQOASA-N 1 0 492.715 3.134 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCSCC2)CC(C)(C)O1 ZINC001305137532 1068228263 /nfs/dbraw/zinc/22/82/63/1068228263.db2.gz MAXKWXTVCFLTIB-CQSZACIVSA-N 1 0 469.453 3.088 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)O1 ZINC001305137641 1068228831 /nfs/dbraw/zinc/22/88/31/1068228831.db2.gz NSVHKOSZUYAESE-CALCHBBNSA-N 1 0 465.545 3.271 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](c2nccs2)C1)[NH+](C)C ZINC001303691206 1068230659 /nfs/dbraw/zinc/23/06/59/1068230659.db2.gz BWAAWNFIMQKTKI-BBRMVZONSA-N 1 0 480.436 3.031 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CCC(N)=O)CC1)[NH+](C)C ZINC001303691284 1068230741 /nfs/dbraw/zinc/23/07/41/1068230741.db2.gz CMENISNARDKKDQ-HNNXBMFYSA-N 1 0 463.424 3.140 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)[N@H+](C)C1CC1 ZINC001303691420 1068231370 /nfs/dbraw/zinc/23/13/70/1068231370.db2.gz DSZYENMBZINTRO-CVEARBPZSA-N 1 0 475.435 3.282 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CC(N)=O)C1)[N@H+](C)C1CC1 ZINC001303691423 1068231538 /nfs/dbraw/zinc/23/15/38/1068231538.db2.gz DSZYENMBZINTRO-HZPDHXFCSA-N 1 0 475.435 3.282 20 0 JGADRO C[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303692270 1068233318 /nfs/dbraw/zinc/23/33/18/1068233318.db2.gz UAYUORPECXQEFD-UONOGXRCSA-N 1 0 468.048 3.387 20 0 JGADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)NC(C)(C)C)[N@H+](C)C1CC1 ZINC001303692305 1068233553 /nfs/dbraw/zinc/23/35/53/1068233553.db2.gz URGRHGVNGOTJRU-OAHLLOKOSA-N 1 0 464.561 3.380 20 0 JGADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1c1nncn1C)[NH+](C)C ZINC001303692566 1068234499 /nfs/dbraw/zinc/23/44/99/1068234499.db2.gz ZDCTVNJOKOPGDJ-CXAGYDPISA-N 1 0 477.386 3.267 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC001303692555 1068234601 /nfs/dbraw/zinc/23/46/01/1068234601.db2.gz YZQHVJZAVXYRCJ-CQSZACIVSA-N 1 0 469.453 3.088 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCSCC2)C[C@H](C)O1 ZINC001305141226 1068235622 /nfs/dbraw/zinc/23/56/22/1068235622.db2.gz FWUQPMCBWCFKKX-IYBDPMFKSA-N 1 0 466.449 3.370 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cnn(C)c2)CC1)[NH+](C)C ZINC001303693374 1068236000 /nfs/dbraw/zinc/23/60/00/1068236000.db2.gz GAIZEWXBTYZFCQ-HNNXBMFYSA-N 1 0 463.417 3.262 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1)[N@H+](C)C1CC1 ZINC001303695731 1068238471 /nfs/dbraw/zinc/23/84/71/1068238471.db2.gz JODHAMGCYXGRKX-OLZOCXBDSA-N 1 0 481.826 3.155 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)c2ccco2)CC1)[NH+](C)C ZINC001303695722 1068239095 /nfs/dbraw/zinc/23/90/95/1068239095.db2.gz WCLAMRQAYODFDW-HNNXBMFYSA-N 1 0 460.941 3.243 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCSCC2)C[C@H](C)O1 ZINC001305142447 1068239519 /nfs/dbraw/zinc/23/95/19/1068239519.db2.gz JIXSSBDVQXALRF-OKILXGFUSA-N 1 0 472.478 3.432 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCC[NH+]2CCOCC2)CCCO1 ZINC001305142970 1068240748 /nfs/dbraw/zinc/24/07/48/1068240748.db2.gz NONUJARAWXTXQZ-INIZCTEOSA-N 1 0 484.464 3.497 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001303699318 1068241974 /nfs/dbraw/zinc/24/19/74/1068241974.db2.gz IAMSSJUDZXOORW-DLBZAZTESA-N 1 0 472.435 3.460 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C)S1 ZINC001305143661 1068242896 /nfs/dbraw/zinc/24/28/96/1068242896.db2.gz VJFDOVVXFDYZBN-QEEYODRMSA-N 1 0 466.449 3.104 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305144157 1068243517 /nfs/dbraw/zinc/24/35/17/1068243517.db2.gz YRRBCAPDGOPSOX-DRSNIGMVSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCC2)CC(C)(C)O1 ZINC001305144259 1068243809 /nfs/dbraw/zinc/24/38/09/1068243809.db2.gz OCUAMUKSUOQGLQ-SFHVURJKSA-N 1 0 475.659 3.227 20 0 JGADRO C[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001303701650 1068245639 /nfs/dbraw/zinc/24/56/39/1068245639.db2.gz ZUYBWCKIWITMSW-INIZCTEOSA-N 1 0 489.546 3.338 20 0 JGADRO C[C@H](Cn1c(-c2ccccn2)nnc1N(CCO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC001303701982 1068246464 /nfs/dbraw/zinc/24/64/64/1068246464.db2.gz YUDITRLHQMICPN-OAHLLOKOSA-N 1 0 477.382 3.191 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001305145310 1068246605 /nfs/dbraw/zinc/24/66/05/1068246605.db2.gz XQYUVVISPDOQHJ-LVCYWYKZSA-N 1 0 486.642 3.184 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)[NH+](C)C ZINC001303703008 1068246901 /nfs/dbraw/zinc/24/69/01/1068246901.db2.gz IRJPZYWODCPSIA-HBFSDRIKSA-N 1 0 457.623 3.069 20 0 JGADRO C[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303706366 1068250648 /nfs/dbraw/zinc/25/06/48/1068250648.db2.gz ZINJLUUGXXWQCK-ROUUACIJSA-N 1 0 467.618 3.490 20 0 JGADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303707278 1068252428 /nfs/dbraw/zinc/25/24/28/1068252428.db2.gz HTYRXJRVPZNZNM-GOSISDBHSA-N 1 0 486.665 3.245 20 0 JGADRO C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303708578 1068254433 /nfs/dbraw/zinc/25/44/33/1068254433.db2.gz QVZSTAVNLPCJJX-UXHICEINSA-N 1 0 494.644 3.432 20 0 JGADRO C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303708580 1068254601 /nfs/dbraw/zinc/25/46/01/1068254601.db2.gz QVZSTAVNLPCJJX-WOJBJXKFSA-N 1 0 494.644 3.432 20 0 JGADRO C[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)Cc1cc(Cl)ccn1)[NH+](C)C ZINC001303709524 1068255659 /nfs/dbraw/zinc/25/56/59/1068255659.db2.gz VNDXCLBCXGGNJU-CQSZACIVSA-N 1 0 452.950 3.229 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001305150423 1068255953 /nfs/dbraw/zinc/25/59/53/1068255953.db2.gz KVRRGFMYPYWNLG-UZLBHIALSA-N 1 0 478.519 3.228 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1)[NH+](C)C ZINC001303711892 1068257207 /nfs/dbraw/zinc/25/72/07/1068257207.db2.gz HFWZOZKWQYDSGL-KDOFPFPSSA-N 1 0 499.969 3.178 20 0 JGADRO C[C@@H](Cn1c(C2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001303712987 1068258254 /nfs/dbraw/zinc/25/82/54/1068258254.db2.gz NXWIAWVURFEKKX-UGKGYDQZSA-N 1 0 484.645 3.406 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)[N@H+](C)C1CC1 ZINC001303715596 1068262655 /nfs/dbraw/zinc/26/26/55/1068262655.db2.gz AESSBNGAGAOCFD-ROUUACIJSA-N 1 0 464.680 3.429 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H](C)S1 ZINC001305154899 1068263581 /nfs/dbraw/zinc/26/35/81/1068263581.db2.gz PHVGGIIOWGPBBT-STXHMFSFSA-N 1 0 466.449 3.104 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303716648 1068263694 /nfs/dbraw/zinc/26/36/94/1068263694.db2.gz GKZQJOJJUGGYBK-HKUYNNGSSA-N 1 0 450.628 3.211 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC[NH+](C)C)c2)CC(C)(C)O1 ZINC001305155838 1068264170 /nfs/dbraw/zinc/26/41/70/1068264170.db2.gz FDFUTMSZFPIEGQ-IBGZPJMESA-N 1 0 450.587 3.333 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCCO1 ZINC001305156463 1068264821 /nfs/dbraw/zinc/26/48/21/1068264821.db2.gz CQSHYZMTPNXSQB-HXUWFJFHSA-N 1 0 450.587 3.334 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1)[NH+](C)C ZINC001303717074 1068265124 /nfs/dbraw/zinc/26/51/24/1068265124.db2.gz ITJCUIRJCZRWQS-AQNXPRMDSA-N 1 0 462.664 3.041 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+](C)C ZINC001303717386 1068265675 /nfs/dbraw/zinc/26/56/75/1068265675.db2.gz KUJOLWPYRKIHGO-WIYYLYMNSA-N 1 0 499.660 3.078 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303717285 1068265731 /nfs/dbraw/zinc/26/57/31/1068265731.db2.gz LXSRXDYSFHYOOE-CEXWTWQISA-N 1 0 462.639 3.006 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC([NH+]2CCCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303717469 1068265775 /nfs/dbraw/zinc/26/57/75/1068265775.db2.gz MSEZZKLWJCSOEJ-PMACEKPBSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305157030 1068265792 /nfs/dbraw/zinc/26/57/92/1068265792.db2.gz YDOGRQMZRJXTOC-GSHUGGBRSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001305157103 1068265821 /nfs/dbraw/zinc/26/58/21/1068265821.db2.gz JQBNVRXIFKDVQY-TZIWHRDSSA-N 1 0 453.635 3.155 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC([NH+]2CCCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303717471 1068266150 /nfs/dbraw/zinc/26/61/50/1068266150.db2.gz MSEZZKLWJCSOEJ-VQTJNVASSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2c(cc[nH]c2=O)C1)[NH+](C)C ZINC001303718560 1068267367 /nfs/dbraw/zinc/26/73/67/1068267367.db2.gz QLADRZVDBWYQIL-MJGOQNOKSA-N 1 0 485.633 3.006 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303719598 1068268614 /nfs/dbraw/zinc/26/86/14/1068268614.db2.gz YNWVJYPAAWZFQB-QPPBQGQZSA-N 1 0 482.673 3.387 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305159892 1068268663 /nfs/dbraw/zinc/26/86/63/1068268663.db2.gz GJFSPJZCGRUGQZ-RTBURBONSA-N 1 0 457.623 3.119 20 0 JGADRO C[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001303721871 1068271141 /nfs/dbraw/zinc/27/11/41/1068271141.db2.gz IQUKQPHAPPKRQV-KBXCAEBGSA-N 1 0 467.492 3.089 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCCC[NH+]2CCCCC2)C[C@H](C(F)(F)F)O1 ZINC001305163263 1068271546 /nfs/dbraw/zinc/27/15/46/1068271546.db2.gz DPXWOJGBIWJOHK-PKOBYXMFSA-N 1 0 469.556 3.491 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)C(C)C ZINC001305163671 1068272619 /nfs/dbraw/zinc/27/26/19/1068272619.db2.gz BDGFFZZZJFCDJD-SJLPKXTDSA-N 1 0 455.529 3.400 20 0 JGADRO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001305163796 1068273020 /nfs/dbraw/zinc/27/30/20/1068273020.db2.gz IMHHPLAJGGCURR-OALUTQOASA-N 1 0 484.649 3.207 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001303723686 1068274513 /nfs/dbraw/zinc/27/45/13/1068274513.db2.gz UPASAVNTAUBEPV-RTBURBONSA-N 1 0 464.655 3.348 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+](C)C2CCCCC2)CCN1CC(F)(F)F ZINC001305164700 1068274859 /nfs/dbraw/zinc/27/48/59/1068274859.db2.gz NCQMZQXFKIYVDJ-SFHVURJKSA-N 1 0 482.599 3.406 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001305165627 1068276043 /nfs/dbraw/zinc/27/60/43/1068276043.db2.gz UEIXGLYSZMDFHV-LJQANCHMSA-N 1 0 484.649 3.303 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303726393 1068278660 /nfs/dbraw/zinc/27/86/60/1068278660.db2.gz CHANMQFWDTYQTM-SFHVURJKSA-N 1 0 456.610 3.185 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+](C)C ZINC001303726512 1068278820 /nfs/dbraw/zinc/27/88/20/1068278820.db2.gz FMFQGWDSKKUHGE-BTYIYWSLSA-N 1 0 457.516 3.488 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303728832 1068282829 /nfs/dbraw/zinc/28/28/29/1068282829.db2.gz VMMWDALOVXSXMQ-FXAWDEMLSA-N 1 0 460.598 3.452 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CCCC3)n2C[C@H]2CCC[N@@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001305171545 1068283985 /nfs/dbraw/zinc/28/39/85/1068283985.db2.gz SEXUMERIFVOUNT-TZIWHRDSSA-N 1 0 476.666 3.228 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001303729314 1068284663 /nfs/dbraw/zinc/28/46/63/1068284663.db2.gz UGKRBMGHELPFPS-HOYKHHGWSA-N 1 0 452.578 3.303 20 0 JGADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@H+](C)C1CC1 ZINC001303732557 1068288154 /nfs/dbraw/zinc/28/81/54/1068288154.db2.gz VDCNLYUHOYUPES-QGZVFWFLSA-N 1 0 473.668 3.453 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(O)(c2ccccc2Cl)CC1)[NH+](C)C ZINC001303733022 1068288956 /nfs/dbraw/zinc/28/89/56/1068288956.db2.gz ZWMZOPDLKISZMQ-GOSISDBHSA-N 1 0 455.006 3.355 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305176533 1068289533 /nfs/dbraw/zinc/28/95/33/1068289533.db2.gz SLMJKJXPRIPGIV-AQNXPRMDSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303734168 1068289978 /nfs/dbraw/zinc/28/99/78/1068289978.db2.gz CSGZEDYJSUHFEG-IBGZPJMESA-N 1 0 472.634 3.343 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305177478 1068291636 /nfs/dbraw/zinc/29/16/36/1068291636.db2.gz GQAZZUPOSMFMNU-JYBIWHBTSA-N 1 0 490.674 3.496 20 0 JGADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1)[NH+](C)C ZINC001303736335 1068294635 /nfs/dbraw/zinc/29/46/35/1068294635.db2.gz KXORYHKYFHFXEG-SFHVURJKSA-N 1 0 472.609 3.040 20 0 JGADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303737113 1068295938 /nfs/dbraw/zinc/29/59/38/1068295938.db2.gz NIRKZGPATPXZBB-QZTJIDSGSA-N 1 0 476.597 3.297 20 0 JGADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303737112 1068295950 /nfs/dbraw/zinc/29/59/50/1068295950.db2.gz NIRKZGPATPXZBB-MSOLQXFVSA-N 1 0 476.597 3.297 20 0 JGADRO C[C@H](Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1)[NH+](C)C ZINC001303738130 1068297007 /nfs/dbraw/zinc/29/70/07/1068297007.db2.gz JDXDTEBIWNUPJX-HXUWFJFHSA-N 1 0 467.662 3.328 20 0 JGADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001303738303 1068297248 /nfs/dbraw/zinc/29/72/48/1068297248.db2.gz XDYKNHZWAVHAQH-GJZGRUSLSA-N 1 0 452.575 3.234 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)CCO1 ZINC001305181397 1068298001 /nfs/dbraw/zinc/29/80/01/1068298001.db2.gz VSROYAGAJIWPIE-WOJBJXKFSA-N 1 0 462.639 3.104 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001303738655 1068298070 /nfs/dbraw/zinc/29/80/70/1068298070.db2.gz UTZKARJOUKFXKB-INIZCTEOSA-N 1 0 451.999 3.296 20 0 JGADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1Nc1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC001303738641 1068298234 /nfs/dbraw/zinc/29/82/34/1068298234.db2.gz ZYFUVELOTUAPLD-QGZVFWFLSA-N 1 0 464.599 3.267 20 0 JGADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001303739029 1068298809 /nfs/dbraw/zinc/29/88/09/1068298809.db2.gz WUGISRKQLGFKLD-LJQANCHMSA-N 1 0 472.609 3.175 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC001303743183 1068301955 /nfs/dbraw/zinc/30/19/55/1068301955.db2.gz AXDAYEALBKQISU-UAFMIMERSA-N 1 0 475.707 3.487 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)C ZINC001305184235 1068301979 /nfs/dbraw/zinc/30/19/79/1068301979.db2.gz UBMUQTFNOSVTLT-VQTJNVASSA-N 1 0 464.655 3.346 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001303743184 1068302238 /nfs/dbraw/zinc/30/22/38/1068302238.db2.gz AXDAYEALBKQISU-VNTMZGSJSA-N 1 0 475.707 3.487 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303743522 1068302783 /nfs/dbraw/zinc/30/27/83/1068302783.db2.gz DEOGMWXQMCLCLC-XUVXKRRUSA-N 1 0 462.639 3.450 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1)C[NH+]1CCCC1 ZINC001303743739 1068302968 /nfs/dbraw/zinc/30/29/68/1068302968.db2.gz CZBUAARGQSCFFF-YRPNKDGESA-N 1 0 480.629 3.113 20 0 JGADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001303743681 1068303215 /nfs/dbraw/zinc/30/32/15/1068303215.db2.gz CGYBONXKHYWTJO-LJQANCHMSA-N 1 0 484.649 3.303 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC001303744352 1068304511 /nfs/dbraw/zinc/30/45/11/1068304511.db2.gz HINUXJAISMVTOK-KURKYZTESA-N 1 0 481.613 3.388 20 0 JGADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303744377 1068304989 /nfs/dbraw/zinc/30/49/89/1068304989.db2.gz HXFYUTSDKXLUMX-RBUKOAKNSA-N 1 0 457.623 3.451 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CCC(N)=O)CC1)C[NH+]1CCCC1 ZINC001303745337 1068305623 /nfs/dbraw/zinc/30/56/23/1068305623.db2.gz GCDXDMLYNOWTIG-INIZCTEOSA-N 1 0 492.466 3.250 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001303745419 1068305945 /nfs/dbraw/zinc/30/59/45/1068305945.db2.gz HDMJIAHBRXOPIW-RTBURBONSA-N 1 0 495.093 3.096 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303745040 1068306119 /nfs/dbraw/zinc/30/61/19/1068306119.db2.gz KUHMEUPGJYVFMO-GUDVDZBRSA-N 1 0 458.573 3.324 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303746435 1068307609 /nfs/dbraw/zinc/30/76/09/1068307609.db2.gz SXSXWDJUISGTOG-BHIFYINESA-N 1 0 474.694 3.283 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)CC1)C[NH+]1CCCC1 ZINC001303746830 1068308104 /nfs/dbraw/zinc/30/81/04/1068308104.db2.gz NBERTMWRMLTCNB-OAHLLOKOSA-N 1 0 495.853 3.419 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC(=O)N1CCOCC1)C[NH+]1CCCC1 ZINC001303747022 1068308300 /nfs/dbraw/zinc/30/83/00/1068308300.db2.gz NVRKBRQDJZQFET-QGZVFWFLSA-N 1 0 495.455 3.279 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N(CCS(C)(=O)=O)C1CC1)C[NH+]1CCCC1 ZINC001303746990 1068308426 /nfs/dbraw/zinc/30/84/26/1068308426.db2.gz NQIJDLKFLSRQAT-KRWDZBQOSA-N 1 0 466.051 3.344 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC(=O)N1CCOCC1)C[NH+]1CCCC1 ZINC001303747020 1068308438 /nfs/dbraw/zinc/30/84/38/1068308438.db2.gz NVRKBRQDJZQFET-KRWDZBQOSA-N 1 0 495.455 3.279 20 0 JGADRO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1)C[NH+]1CCCC1 ZINC001303748245 1068309094 /nfs/dbraw/zinc/30/90/94/1068309094.db2.gz YARMQVUXNFKTHX-MOPGFXCFSA-N 1 0 472.609 3.381 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303747616 1068309168 /nfs/dbraw/zinc/30/91/68/1068309168.db2.gz ZFCQOHHEUKCQDS-MLDBQTBOSA-N 1 0 482.673 3.419 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC001303748146 1068309390 /nfs/dbraw/zinc/30/93/90/1068309390.db2.gz XLJYIEFQQRCJEG-IRXDYDNUSA-N 1 0 465.440 3.393 20 0 JGADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21)C[NH+]1CCCCC1 ZINC001303750469 1068310414 /nfs/dbraw/zinc/31/04/14/1068310414.db2.gz AFXZLICYYCQVCP-NXNFSMPISA-N 1 0 466.696 3.025 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305190135 1068310375 /nfs/dbraw/zinc/31/03/75/1068310375.db2.gz DWISRZFSVJUGFX-FXAWDEMLSA-N 1 0 498.569 3.190 20 0 JGADRO C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC001303751019 1068311455 /nfs/dbraw/zinc/31/14/55/1068311455.db2.gz GTPWMWXFEASFME-HSALFYBXSA-N 1 0 472.609 3.346 20 0 JGADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303751342 1068311475 /nfs/dbraw/zinc/31/14/75/1068311475.db2.gz IMJAWVQAZNVCRU-LEWJYISDSA-N 1 0 460.667 3.420 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCCC2)C[C@H](C(F)(F)F)O1 ZINC001305190151 1068311526 /nfs/dbraw/zinc/31/15/26/1068311526.db2.gz CKHPLVCCYUAQSH-FUHWJXTLSA-N 1 0 452.525 3.294 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1ccccc1F)C[NH+]1CCCCC1 ZINC001303752549 1068312933 /nfs/dbraw/zinc/31/29/33/1068312933.db2.gz OWIOSMKZJMMDTM-LJQANCHMSA-N 1 0 455.582 3.455 20 0 JGADRO 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C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CC=CCC2)C[C@H](C(F)(F)F)O1 ZINC001305191750 1068314376 /nfs/dbraw/zinc/31/43/76/1068314376.db2.gz MBVZFRRERAVVCW-QFBILLFUSA-N 1 0 453.484 3.426 20 0 JGADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)C[NH+]1CCCC1 ZINC001303752797 1068314462 /nfs/dbraw/zinc/31/44/62/1068314462.db2.gz TUENZNYYVVRTIA-QRVBRYPASA-N 1 0 464.680 3.334 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303754927 1068318045 /nfs/dbraw/zinc/31/80/45/1068318045.db2.gz KHOUCIBAEBEZHC-PMACEKPBSA-N 1 0 464.655 3.206 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)C[NH+]1CCCCC1 ZINC001303755002 1068318347 /nfs/dbraw/zinc/31/83/47/1068318347.db2.gz ZYQLQNQEXBENTO-FUPPJEDESA-N 1 0 495.672 3.007 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCOC1)C[NH+]1CCOCC1 ZINC001303755427 1068318362 /nfs/dbraw/zinc/31/83/62/1068318362.db2.gz NMXUTWMAMONANL-WBVHZDCISA-N 1 0 454.402 3.445 20 0 JGADRO 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20 0 JGADRO C[C@H]1C[N@H+](CCCn2c(N3CCC[C@H](NC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224664 1068367516 /nfs/dbraw/zinc/36/75/16/1068367516.db2.gz YLUIUKHIWGVAAW-PMACEKPBSA-N 1 0 462.683 3.208 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305225197 1068368851 /nfs/dbraw/zinc/36/88/51/1068368851.db2.gz UBQNUNBFNRMQDV-MOPGFXCFSA-N 1 0 455.607 3.270 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CCCCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303787859 1068369152 /nfs/dbraw/zinc/36/91/52/1068369152.db2.gz HYDHUCPTFSBGMA-LJQANCHMSA-N 1 0 482.599 3.408 20 0 JGADRO C[C@@H](N1CCN(c2nnc(C3CCCC3)n2CC2([NH+](C)C)CCOCC2)CC1)C(F)(F)F ZINC001303787903 1068369270 /nfs/dbraw/zinc/36/92/70/1068369270.db2.gz IMFDHNQUXTVWGX-QGZVFWFLSA-N 1 0 458.573 3.119 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305225204 1068369546 /nfs/dbraw/zinc/36/95/46/1068369546.db2.gz UBQNUNBFNRMQDV-RBUKOAKNSA-N 1 0 455.607 3.270 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(COc2ccc(Cl)cc2Cl)n1CCOCCCO ZINC001305225521 1068369794 /nfs/dbraw/zinc/36/97/94/1068369794.db2.gz UZFXMFQCSVTBEO-FUHWJXTLSA-N 1 0 484.428 3.236 20 0 JGADRO C[C@@H]1COCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305229239 1068373845 /nfs/dbraw/zinc/37/38/45/1068373845.db2.gz QNBXLXGHYSFQSP-RTBURBONSA-N 1 0 474.675 3.253 20 0 JGADRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC001303790464 1068374814 /nfs/dbraw/zinc/37/48/14/1068374814.db2.gz GEVYRQRCIACMBR-KRWDZBQOSA-N 1 0 454.527 3.372 20 0 JGADRO C[C@@H]1COCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001305229595 1068375200 /nfs/dbraw/zinc/37/52/00/1068375200.db2.gz XPKYARHRYRYDOS-GGAORHGYSA-N 1 0 488.721 3.358 20 0 JGADRO C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2CC2([NH+](C)C)CCOCC2)CC1)C(F)(F)F ZINC001303792565 1068376622 /nfs/dbraw/zinc/37/66/22/1068376622.db2.gz ICVGRXRQQUGGMH-GOSISDBHSA-N 1 0 472.600 3.194 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CC3)nnc2N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001303796199 1068384273 /nfs/dbraw/zinc/38/42/73/1068384273.db2.gz IDYFXOBSEGTFPV-UYAOXDASSA-N 1 0 476.666 3.130 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001303796690 1068385514 /nfs/dbraw/zinc/38/55/14/1068385514.db2.gz IKHHIQOTHMIZNS-OALUTQOASA-N 1 0 470.643 3.339 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CCC3)n2CCOCC[NH+](C)C)C1 ZINC001303797414 1068387438 /nfs/dbraw/zinc/38/74/38/1068387438.db2.gz KVTSMERBYUNUMU-QUCCMNQESA-N 1 0 464.655 3.253 20 0 JGADRO CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001303798374 1068390028 /nfs/dbraw/zinc/39/00/28/1068390028.db2.gz ANSBBSWFXNOYBP-BCMGTOKDSA-N 1 0 451.567 3.137 20 0 JGADRO C[C@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CCOC1(C)C ZINC001305240715 1068390606 /nfs/dbraw/zinc/39/06/06/1068390606.db2.gz QBWHDGAVCNKQJC-SJORKVTESA-N 1 0 469.615 3.294 20 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C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001303801513 1068397781 /nfs/dbraw/zinc/39/77/81/1068397781.db2.gz WVJCGMYYXOZPHL-TYPHKJRUSA-N 1 0 476.666 3.132 20 0 JGADRO C[C@@H]1N(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCOC1(C)C ZINC001305246414 1068399867 /nfs/dbraw/zinc/39/98/67/1068399867.db2.gz YIHBGUZDFKBOMA-RBBKRZOGSA-N 1 0 471.646 3.359 20 0 JGADRO C[C@H]1N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCC2)CCOC1(C)C ZINC001305246623 1068400487 /nfs/dbraw/zinc/40/04/87/1068400487.db2.gz ZYPLDUHYMUGRHK-LJQANCHMSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1CC1CC[NH+](C2CC2)CC1 ZINC001303803254 1068401834 /nfs/dbraw/zinc/40/18/34/1068401834.db2.gz KTLLBVHSTDSTPR-SJORKVTESA-N 1 0 478.638 3.099 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CC[N@H+](C)C1CCCCC1 ZINC001303805485 1068408024 /nfs/dbraw/zinc/40/80/24/1068408024.db2.gz DMPVGPKHPZYCQO-AVRDEDQJSA-N 1 0 474.675 3.277 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCCCC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001303805593 1068408817 /nfs/dbraw/zinc/40/88/17/1068408817.db2.gz FYBUYEXHIHBGBM-MJGOQNOKSA-N 1 0 464.636 3.087 20 0 JGADRO C[C@@H]1SCCN(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)[C@H]1C ZINC001305250419 1068409329 /nfs/dbraw/zinc/40/93/29/1068409329.db2.gz AMKVERIYSQXEDK-ZJOUEHCJSA-N 1 0 450.697 3.124 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001303806537 1068411538 /nfs/dbraw/zinc/41/15/38/1068411538.db2.gz DZDWTHUKEKRNJQ-IBGZPJMESA-N 1 0 476.691 3.405 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303808187 1068414197 /nfs/dbraw/zinc/41/41/97/1068414197.db2.gz CJALGENAIVKGDX-IBGZPJMESA-N 1 0 499.685 3.195 20 0 JGADRO C[C@H]1OCC[C@]12CN(c1nnc(-c3ccc(C(C)(C)C)cc3)n1CCOCC[NH+](C)C)CCO2 ZINC001305254056 1068415321 /nfs/dbraw/zinc/41/53/21/1068415321.db2.gz WYZGGXXMCKWYRL-IBVKSMDESA-N 1 0 471.646 3.205 20 0 JGADRO C[C@H]1SCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)Cc2ccc(F)cc2)[C@@H]1C ZINC001305256972 1068419858 /nfs/dbraw/zinc/41/98/58/1068419858.db2.gz ILGQTSKJKACMFQ-QZTJIDSGSA-N 1 0 460.623 3.002 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305256596 1068419997 /nfs/dbraw/zinc/41/99/97/1068419997.db2.gz HWAWBCWZALSYDD-XFQAVAEZSA-N 1 0 480.729 3.037 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305258160 1068423224 /nfs/dbraw/zinc/42/32/24/1068423224.db2.gz SZQXRRLSLNIVPC-RYRKJORJSA-N 1 0 451.040 3.171 20 0 JGADRO C[C@H]1SCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([NH+](C)C)CCOCC2)[C@H]1C ZINC001305259470 1068425515 /nfs/dbraw/zinc/42/55/15/1068425515.db2.gz YIRRCYIFSKEYAS-JKSUJKDBSA-N 1 0 451.040 3.435 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001305260947 1068428657 /nfs/dbraw/zinc/42/86/57/1068428657.db2.gz CLIBWCMYZTZRGL-SFHVURJKSA-N 1 0 493.027 3.343 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001305261636 1068431380 /nfs/dbraw/zinc/43/13/80/1068431380.db2.gz FENGYQIERVKTSS-RXVVDRJESA-N 1 0 475.037 3.062 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001305261972 1068432010 /nfs/dbraw/zinc/43/20/10/1068432010.db2.gz FUTUHAZZMXBINK-VQTJNVASSA-N 1 0 488.080 3.120 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001303820213 1068436232 /nfs/dbraw/zinc/43/62/32/1068436232.db2.gz LTOHAWOETJVSHO-WMZOPIPTSA-N 1 0 482.676 3.097 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305263405 1068437230 /nfs/dbraw/zinc/43/72/30/1068437230.db2.gz CQCSYDRNKMBLRI-GGAORHGYSA-N 1 0 467.662 3.271 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001305264163 1068440548 /nfs/dbraw/zinc/44/05/48/1068440548.db2.gz KORGTVNQLNOCSU-NFBKMPQASA-N 1 0 479.629 3.090 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001305265096 1068444303 /nfs/dbraw/zinc/44/43/03/1068444303.db2.gz MCISOHDDLTXOKF-NQIIRXRSSA-N 1 0 496.612 3.353 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001305265296 1068444824 /nfs/dbraw/zinc/44/48/24/1068444824.db2.gz PDTXIZYYIJPDHR-FCHUYYIVSA-N 1 0 489.064 3.450 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001305265750 1068446677 /nfs/dbraw/zinc/44/66/77/1068446677.db2.gz IDBSBRBMPONVEU-FQEVSTJZSA-N 1 0 454.619 3.145 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccccc3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303828489 1068449741 /nfs/dbraw/zinc/44/97/41/1068449741.db2.gz AUQFUWPRCGLZJE-FPOVZHCZSA-N 1 0 474.675 3.147 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC2)C1 ZINC001305266562 1068450195 /nfs/dbraw/zinc/45/01/95/1068450195.db2.gz OPNYUVKIILEZQZ-QFIPXVFZSA-N 1 0 481.645 3.128 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1Cc1cccc(C[NH+](C)C)c1 ZINC001303828643 1068450307 /nfs/dbraw/zinc/45/03/07/1068450307.db2.gz WKDLMPBYVAURMZ-GPHNJDIKSA-N 1 0 474.675 3.013 20 0 JGADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303829254 1068452241 /nfs/dbraw/zinc/45/22/41/1068452241.db2.gz RDSKSBHJEVIOLO-MOPGFXCFSA-N 1 0 462.664 3.035 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)[C@H]1C)[NH+]1CCCC1 ZINC001303829937 1068452831 /nfs/dbraw/zinc/45/28/31/1068452831.db2.gz FWSSFUXTLGUZNT-PABCKOPISA-N 1 0 488.702 3.391 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001305267191 1068453287 /nfs/dbraw/zinc/45/32/87/1068453287.db2.gz MLEXZZKVKHVVLV-RBUKOAKNSA-N 1 0 474.600 3.374 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001305267677 1068455379 /nfs/dbraw/zinc/45/53/79/1068455379.db2.gz NHYBTUKPQDGCHV-ZLNRFVROSA-N 1 0 490.693 3.152 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303830939 1068455428 /nfs/dbraw/zinc/45/54/28/1068455428.db2.gz MQPYVZOJQHDPJQ-DDTUGOMQSA-N 1 0 488.702 3.424 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303832196 1068457793 /nfs/dbraw/zinc/45/77/93/1068457793.db2.gz UZQBONJIYSFLTE-RTBURBONSA-N 1 0 466.696 3.027 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC1=CCCCC1 ZINC001303832174 1068457822 /nfs/dbraw/zinc/45/78/22/1068457822.db2.gz ULFNULYTDSJLPU-NHCUHLMSSA-N 1 0 486.686 3.490 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CC[N@H+](C)C2CCCC2)C1 ZINC001305268538 1068457810 /nfs/dbraw/zinc/45/78/10/1068457810.db2.gz NGLCBDBSRUKMOE-LJQANCHMSA-N 1 0 472.609 3.366 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3cccc(F)c3)C2)C1 ZINC001303832695 1068459279 /nfs/dbraw/zinc/45/92/79/1068459279.db2.gz YUKXNIHBVAQWMN-ZJOUEHCJSA-N 1 0 492.665 3.142 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001303832767 1068460031 /nfs/dbraw/zinc/46/00/31/1068460031.db2.gz ZXZCHDGNINMHRX-BZSNNMDCSA-N 1 0 480.704 3.269 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CCC1CC1 ZINC001303835132 1068464091 /nfs/dbraw/zinc/46/40/91/1068464091.db2.gz WGILODNGJOHFOS-OALUTQOASA-N 1 0 466.696 3.169 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001305271659 1068469786 /nfs/dbraw/zinc/46/97/86/1068469786.db2.gz VGDFNQLHHLBLLJ-GOTSBHOMSA-N 1 0 452.647 3.433 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303842540 1068471527 /nfs/dbraw/zinc/47/15/27/1068471527.db2.gz BGVYVUOIZHKNIK-KXBFYZLASA-N 1 0 493.033 3.000 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303842537 1068471538 /nfs/dbraw/zinc/47/15/38/1068471538.db2.gz BGVYVUOIZHKNIK-BEFAXECRSA-N 1 0 493.033 3.000 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303842538 1068471570 /nfs/dbraw/zinc/47/15/70/1068471570.db2.gz BGVYVUOIZHKNIK-DNVCBOLYSA-N 1 0 493.033 3.000 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303843149 1068472901 /nfs/dbraw/zinc/47/29/01/1068472901.db2.gz VJEGPTACNRMZGP-PMACEKPBSA-N 1 0 466.696 3.313 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1)C(C)C ZINC001303844070 1068475339 /nfs/dbraw/zinc/47/53/39/1068475339.db2.gz OOPQLYWUJMFXML-QGZVFWFLSA-N 1 0 483.082 3.223 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305276470 1068478005 /nfs/dbraw/zinc/47/80/05/1068478005.db2.gz IIWPYMXMTFSONX-YYTDSSBASA-N 1 0 474.694 3.424 20 0 JGADRO CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001305277839 1068478838 /nfs/dbraw/zinc/47/88/38/1068478838.db2.gz NUSFWKZYPJPHLE-UHFFFAOYSA-N 1 0 489.686 3.333 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1)C(C)C ZINC001303846518 1068480630 /nfs/dbraw/zinc/48/06/30/1068480630.db2.gz SPWOZXNDALTAQV-ACRUOGEOSA-N 1 0 468.712 3.414 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCc1ccsc1 ZINC001303848727 1068482899 /nfs/dbraw/zinc/48/28/99/1068482899.db2.gz JJOSCHIGOMOHPM-IRFCIJBXSA-N 1 0 494.731 3.283 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCc1ccsc1 ZINC001303848729 1068483034 /nfs/dbraw/zinc/48/30/34/1068483034.db2.gz JJOSCHIGOMOHPM-ZJOUEHCJSA-N 1 0 494.731 3.283 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001303850986 1068487192 /nfs/dbraw/zinc/48/71/92/1068487192.db2.gz AKCICFYHDVEVMV-RNIPGJKVSA-N 1 0 466.677 3.022 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001303851002 1068487241 /nfs/dbraw/zinc/48/72/41/1068487241.db2.gz ARILEGJTGSVHHB-MAUKXSAKSA-N 1 0 494.712 3.267 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccco2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001303851394 1068489058 /nfs/dbraw/zinc/48/90/58/1068489058.db2.gz FPPJDSUGAIFVBF-FFZOFVMBSA-N 1 0 490.605 3.265 20 0 JGADRO CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001305288294 1068490871 /nfs/dbraw/zinc/49/08/71/1068490871.db2.gz OUVMKKCFABPVMG-DEOSSOPVSA-N 1 0 495.716 3.432 20 0 JGADRO CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001305288980 1068491961 /nfs/dbraw/zinc/49/19/61/1068491961.db2.gz VGAYBXMNMOQPIO-JOCHJYFZSA-N 1 0 482.673 3.468 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CC1([NH+](C)C)CCCC1 ZINC001303852956 1068492400 /nfs/dbraw/zinc/49/24/00/1068492400.db2.gz NKNAPYYMWASDLT-DLBZAZTESA-N 1 0 466.677 3.166 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccccc2)n1CC[N@H+](C)C1CCCC1 ZINC001303853149 1068493068 /nfs/dbraw/zinc/49/30/68/1068493068.db2.gz NZSMRGWOAPUASD-GHTZIAJQSA-N 1 0 460.648 3.104 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CC[NH+]1CCCCCC1 ZINC001303853359 1068493558 /nfs/dbraw/zinc/49/35/58/1068493558.db2.gz QGBFLXVMAGBASD-OFNKIYASSA-N 1 0 464.680 3.091 20 0 JGADRO CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001305290638 1068493831 /nfs/dbraw/zinc/49/38/31/1068493831.db2.gz ZHCDRSZDLWNFRH-DFBJGRDBSA-N 1 0 475.609 3.267 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(F)c1)C(C)C ZINC001303856453 1068496943 /nfs/dbraw/zinc/49/69/43/1068496943.db2.gz WANGLPMOWQOFFE-NQIIRXRSSA-N 1 0 480.654 3.488 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001303861047 1068500869 /nfs/dbraw/zinc/50/08/69/1068500869.db2.gz DIDFRPXCKUNLRV-MRXNPFEDSA-N 1 0 499.056 3.184 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001305295082 1068501877 /nfs/dbraw/zinc/50/18/77/1068501877.db2.gz BIZVSECNMNXCNT-JOCHJYFZSA-N 1 0 478.435 3.409 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305299267 1068507362 /nfs/dbraw/zinc/50/73/62/1068507362.db2.gz JNBRLKVTFKGMFK-VGOFRKELSA-N 1 0 496.425 3.309 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001305303321 1068512406 /nfs/dbraw/zinc/51/24/06/1068512406.db2.gz VPMYOLPPUJDYAP-NIRIFSCTSA-N 1 0 451.619 3.359 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303877707 1068512558 /nfs/dbraw/zinc/51/25/58/1068512558.db2.gz VMSQUCVRTMKAOG-ZWKOTPCHSA-N 1 0 496.703 3.040 20 0 JGADRO CC[C@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001305308316 1068516327 /nfs/dbraw/zinc/51/63/27/1068516327.db2.gz DXAPYBFWRHJRBN-VWLOTQADSA-N 1 0 483.686 3.486 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001305314762 1068528375 /nfs/dbraw/zinc/52/83/75/1068528375.db2.gz QHRYVWQSZJAWHS-ISJBWFOZSA-N 1 0 470.662 3.314 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2cscn2)n1CCC[NH+]1CCC(O)CC1 ZINC001303891759 1068530053 /nfs/dbraw/zinc/53/00/53/1068530053.db2.gz GHIUGSLKCVBDSU-QGZVFWFLSA-N 1 0 474.606 3.497 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001303893452 1068532198 /nfs/dbraw/zinc/53/21/98/1068532198.db2.gz SXAMSHDLUJUYNA-IBGZPJMESA-N 1 0 485.608 3.162 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(N)=O)CC1)C(C)C ZINC001303894789 1068532695 /nfs/dbraw/zinc/53/26/95/1068532695.db2.gz AKNRWYPARGUGCY-GOSISDBHSA-N 1 0 460.598 3.378 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCSCCCO ZINC001303895838 1068534389 /nfs/dbraw/zinc/53/43/89/1068534389.db2.gz SRJHGPHIWPUCEC-CMKODMSKSA-N 1 0 463.623 3.346 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303896214 1068535443 /nfs/dbraw/zinc/53/54/43/1068535443.db2.gz YPQJREBUTOABOX-QZTJIDSGSA-N 1 0 458.582 3.133 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCO[C@@H]2CCOC2)CC1 ZINC001303898726 1068540682 /nfs/dbraw/zinc/54/06/82/1068540682.db2.gz RFQYNJAMZVJQCV-SIKLNZKXSA-N 1 0 461.582 3.283 20 0 JGADRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305321913 1068540633 /nfs/dbraw/zinc/54/06/33/1068540633.db2.gz JEZMRWQTQFGHJO-FQRUVTKNSA-N 1 0 495.676 3.276 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cnnn1C ZINC001303899000 1068541104 /nfs/dbraw/zinc/54/11/04/1068541104.db2.gz STQKBXJLSLNBKY-KRWDZBQOSA-N 1 0 456.570 3.045 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001303900048 1068543362 /nfs/dbraw/zinc/54/33/62/1068543362.db2.gz XTUCSUAJKZZOSO-DVECYGJZSA-N 1 0 461.582 3.283 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCS(C)(=O)=O ZINC001303900118 1068543422 /nfs/dbraw/zinc/54/34/22/1068543422.db2.gz YGIMXMBMFBENRM-SFHVURJKSA-N 1 0 481.638 3.303 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001305325841 1068547641 /nfs/dbraw/zinc/54/76/41/1068547641.db2.gz KHRUBXLFBAHGTH-WXVAWEFUSA-N 1 0 477.657 3.396 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001305326808 1068549173 /nfs/dbraw/zinc/54/91/73/1068549173.db2.gz ZKIPLALKVCNNIP-UFXZXOMWSA-N 1 0 457.619 3.432 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001303905239 1068550141 /nfs/dbraw/zinc/55/01/41/1068550141.db2.gz LCRWCQAKNLQZIS-IEBWSBKVSA-N 1 0 464.010 3.407 20 0 JGADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001303905817 1068550745 /nfs/dbraw/zinc/55/07/45/1068550745.db2.gz WXROHXPCMBEDQG-HOTGVXAUSA-N 1 0 451.015 3.373 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[NH+]1CCCCC1 ZINC001303906583 1068552703 /nfs/dbraw/zinc/55/27/03/1068552703.db2.gz KSLQATWNLUCBKU-QZTJIDSGSA-N 1 0 461.010 3.224 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001305329270 1068553612 /nfs/dbraw/zinc/55/36/12/1068553612.db2.gz OJXWOFJHIXPDCU-LVXARBLLSA-N 1 0 484.693 3.027 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1 ZINC001303907117 1068553796 /nfs/dbraw/zinc/55/37/96/1068553796.db2.gz QTDUNIAYSQVPKF-QGZVFWFLSA-N 1 0 496.077 3.427 20 0 JGADRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001305329529 1068554217 /nfs/dbraw/zinc/55/42/17/1068554217.db2.gz HGCJJJGSVFRBCW-IQGLISFBSA-N 1 0 467.618 3.312 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CCS(C)(=O)=O)n1CC1([NH+](C)C)CCC1 ZINC001303907252 1068554394 /nfs/dbraw/zinc/55/43/94/1068554394.db2.gz SGPLFDYKKALZHU-INIZCTEOSA-N 1 0 470.039 3.037 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001305330020 1068555230 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ZINC001303910847 1068559055 /nfs/dbraw/zinc/55/90/55/1068559055.db2.gz HWVCAJXVNUIQRX-KSZLIROESA-N 1 0 461.010 3.258 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001305332022 1068560202 /nfs/dbraw/zinc/56/02/02/1068560202.db2.gz XVRDNLLJHUZKKK-BVZFJXPGSA-N 1 0 474.650 3.360 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001305333961 1068563590 /nfs/dbraw/zinc/56/35/90/1068563590.db2.gz KLIAQZLFRRWVTO-XXAUWVGASA-N 1 0 485.673 3.386 20 0 JGADRO CC[C@@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305334333 1068564428 /nfs/dbraw/zinc/56/44/28/1068564428.db2.gz LLBGSZWPGJHUOK-CLOONOSVSA-N 1 0 459.683 3.495 20 0 JGADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1([NH+](C)C)CCC1 ZINC001303914596 1068565597 /nfs/dbraw/zinc/56/55/97/1068565597.db2.gz HGAMVFDKKFGQAF-SQNIBIBYSA-N 1 0 481.638 3.299 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)C2)n1CCOCC[NH+](C)C 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3.174 20 0 JGADRO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)SC ZINC001305691035 1069057673 /nfs/dbraw/zinc/05/76/73/1069057673.db2.gz RGTNLYUDDYCOOW-OAQYLSRUSA-N 1 0 489.734 3.426 20 0 JGADRO CCC(CC)(Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)OC ZINC001305696123 1069069468 /nfs/dbraw/zinc/06/94/68/1069069468.db2.gz MRNPGVXIBFIKAN-SIKLNZKXSA-N 1 0 473.618 3.153 20 0 JGADRO CCC(CC)[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)OC ZINC001305701838 1069083376 /nfs/dbraw/zinc/08/33/76/1069083376.db2.gz JNELEGILMQKQCT-BDTNDASRSA-N 1 0 481.707 3.086 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@@H](C)C1)[NH+](C)C ZINC001305702289 1069084002 /nfs/dbraw/zinc/08/40/02/1069084002.db2.gz AWCFMRNFCQCMIZ-AVRDEDQJSA-N 1 0 477.675 3.330 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@@H](C)C1)[NH+](C)C ZINC001305702291 1069084005 /nfs/dbraw/zinc/08/40/05/1069084005.db2.gz AWCFMRNFCQCMIZ-PGRDOPGGSA-N 1 0 477.675 3.330 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C ZINC001305703851 1069087794 /nfs/dbraw/zinc/08/77/94/1069087794.db2.gz BSCOMGJUIFCXBH-FGZHOGPDSA-N 1 0 474.625 3.500 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1)[NH+]1CCOCC1 ZINC001305704211 1069088881 /nfs/dbraw/zinc/08/88/81/1069088881.db2.gz DFXFERYTFPPJJD-HSZRJFAPSA-N 1 0 498.672 3.207 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305704051 1069089667 /nfs/dbraw/zinc/08/96/67/1069089667.db2.gz JWBXOOFPEDJCOV-SFTDATJTSA-N 1 0 473.618 3.373 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001305705473 1069093440 /nfs/dbraw/zinc/09/34/40/1069093440.db2.gz JLHKXSHZRSWOST-JOCHJYFZSA-N 1 0 453.639 3.158 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC001305705450 1069093510 /nfs/dbraw/zinc/09/35/10/1069093510.db2.gz JCRJDMBJNYHKGP-DEOSSOPVSA-N 1 0 490.656 3.132 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(OC)c2)CC1)[NH+](C)C ZINC001305705795 1069094537 /nfs/dbraw/zinc/09/45/37/1069094537.db2.gz KBTSSYKJSKTUAE-XMMPIXPASA-N 1 0 480.661 3.380 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)C(C)=O)CC1)[NH+]1CCOCC1 ZINC001305706474 1069095280 /nfs/dbraw/zinc/09/52/80/1069095280.db2.gz VAORXTOXIKWXQX-HSZRJFAPSA-N 1 0 486.661 3.431 20 0 JGADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1)[NH+]1CCOCC1 ZINC001305706520 1069095908 /nfs/dbraw/zinc/09/59/08/1069095908.db2.gz WBANUHPSSYRXMW-BJKOFHAPSA-N 1 0 457.619 3.310 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305707168 1069097957 /nfs/dbraw/zinc/09/79/57/1069097957.db2.gz QCWDBPXQHLTUBR-UYAOXDASSA-N 1 0 450.653 3.043 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C)[NH+](C)C ZINC001305707751 1069099068 /nfs/dbraw/zinc/09/90/68/1069099068.db2.gz TUBIALSCHCEHDZ-LAUBAEHRSA-N 1 0 477.053 3.453 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(Cl)nc2C1)[NH+](C)C ZINC001305708361 1069100007 /nfs/dbraw/zinc/10/00/07/1069100007.db2.gz WIYSKSMPVVXIEN-IBGZPJMESA-N 1 0 462.042 3.394 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(=O)NC)C1)[NH+](C)C ZINC001305708562 1069101244 /nfs/dbraw/zinc/10/12/44/1069101244.db2.gz KSZDREAVFMBOGE-IBVKSMDESA-N 1 0 484.645 3.045 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001305708893 1069101942 /nfs/dbraw/zinc/10/19/42/1069101942.db2.gz LJJKMDZQUOGCQX-PXNSSMCTSA-N 1 0 463.026 3.356 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001305709306 1069104000 /nfs/dbraw/zinc/10/40/00/1069104000.db2.gz OPLHKHSEYDUFAK-QFIPXVFZSA-N 1 0 487.645 3.326 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(OC)CC1)[NH+]1CCOCC1 ZINC001305709332 1069104009 /nfs/dbraw/zinc/10/40/09/1069104009.db2.gz CHTUGBXTNDSFHH-RCZVLFRGSA-N 1 0 471.650 3.268 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001305709601 1069104805 /nfs/dbraw/zinc/10/48/05/1069104805.db2.gz QOHPBRVOOHGAAZ-NFBKMPQASA-N 1 0 484.670 3.483 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)COC)CC1)[NH+](C)C ZINC001305709883 1069105484 /nfs/dbraw/zinc/10/54/84/1069105484.db2.gz RRVSJTLZXORPRD-NRFANRHFSA-N 1 0 477.053 3.260 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001305709768 1069105558 /nfs/dbraw/zinc/10/55/58/1069105558.db2.gz ROLDMGZBKFFKIT-WMZHIEFXSA-N 1 0 487.645 3.324 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cncn2)C1)[NH+](C)C ZINC001305709887 1069106088 /nfs/dbraw/zinc/10/60/88/1069106088.db2.gz BYEYZPISWXUPJP-FCHUYYIVSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](COC)C1)[NH+](C)C ZINC001305709924 1069106140 /nfs/dbraw/zinc/10/61/40/1069106140.db2.gz RZLNJGCQZWLUQR-RBUKOAKNSA-N 1 0 451.015 3.212 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+](C)C ZINC001305710187 1069107230 /nfs/dbraw/zinc/10/72/30/1069107230.db2.gz FFSAJOXCWHPGLU-WWNPGLIZSA-N 1 0 470.637 3.431 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](OC)C1)[NH+]1CCOCC1 ZINC001305710476 1069107841 /nfs/dbraw/zinc/10/78/41/1069107841.db2.gz HNWJNTXJXJWORA-GOTSBHOMSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC(C)(OC)C1)[NH+]1CCOCC1 ZINC001305710422 1069107889 /nfs/dbraw/zinc/10/78/89/1069107889.db2.gz GNEMZGLCZRKVCN-JOCHJYFZSA-N 1 0 459.610 3.370 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001305710728 1069108285 /nfs/dbraw/zinc/10/82/85/1069108285.db2.gz IIDFYBHGZSCOHI-PXDATVDWSA-N 1 0 456.610 3.233 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cncn2)C1)[NH+](C)C ZINC001305710767 1069108296 /nfs/dbraw/zinc/10/82/96/1069108296.db2.gz JBZNKXVBUANXIY-SFTDATJTSA-N 1 0 471.679 3.433 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001305710907 1069108815 /nfs/dbraw/zinc/10/88/15/1069108815.db2.gz XROKSRFXKHWJMC-VWNXMTODSA-N 1 0 498.672 3.196 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001305711414 1069110540 /nfs/dbraw/zinc/11/05/40/1069110540.db2.gz MMVQAFOXVKEGAP-DENIHFKCSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(CC(=O)NC)CC1)[NH+]1CCOCC1 ZINC001305711570 1069110614 /nfs/dbraw/zinc/11/06/14/1069110614.db2.gz PCLKCWYHWVGUEO-JOCHJYFZSA-N 1 0 460.667 3.035 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001305712034 1069111611 /nfs/dbraw/zinc/11/16/11/1069111611.db2.gz PAWWWYHKIIHJGT-VABKMULXSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1)[NH+](C)C ZINC001305711923 1069111663 /nfs/dbraw/zinc/11/16/63/1069111663.db2.gz ODSXGLSSHRRNLQ-FQEVSTJZSA-N 1 0 468.067 3.124 20 0 JGADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001305712095 1069112273 /nfs/dbraw/zinc/11/22/73/1069112273.db2.gz PJPHZJDZYWSEQG-LVXARBLLSA-N 1 0 487.693 3.192 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C2CCOCC2)C1)[NH+](C)C ZINC001305712267 1069112317 /nfs/dbraw/zinc/11/23/17/1069112317.db2.gz BDERBACJOMOKDJ-FGZHOGPDSA-N 1 0 460.667 3.020 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1)[NH+]1CCOCC1 ZINC001305712444 1069112455 /nfs/dbraw/zinc/11/24/55/1069112455.db2.gz RAGKQWJCLMERMO-CUBQBAPOSA-N 1 0 496.700 3.277 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305712862 1069113815 /nfs/dbraw/zinc/11/38/15/1069113815.db2.gz SJPSGEKFPMMWJE-AMZDPNTKSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+](C)C ZINC001305713071 1069113900 /nfs/dbraw/zinc/11/39/00/1069113900.db2.gz WAULWZSFGWFZGS-JOCHJYFZSA-N 1 0 455.651 3.320 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCOCC1)[NH+]1CCOCC1 ZINC001305712937 1069114006 /nfs/dbraw/zinc/11/40/06/1069114006.db2.gz UCEMFZZTCNSMLS-QFIPXVFZSA-N 1 0 463.573 3.121 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+](C)C ZINC001305713075 1069114647 /nfs/dbraw/zinc/11/46/47/1069114647.db2.gz WAULWZSFGWFZGS-QFIPXVFZSA-N 1 0 455.651 3.320 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001305713123 1069114674 /nfs/dbraw/zinc/11/46/74/1069114674.db2.gz WRSCPTWMIHGHAJ-JOCHJYFZSA-N 1 0 460.667 3.165 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001305713404 1069115334 /nfs/dbraw/zinc/11/53/34/1069115334.db2.gz VXBIEWXNFWANJG-PKTZIBPZSA-N 1 0 474.694 3.205 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(=O)OC)CC1)[NH+](C)C ZINC001305714167 1069117087 /nfs/dbraw/zinc/11/70/87/1069117087.db2.gz ZJEDIXIXZGHPCC-OAQYLSRUSA-N 1 0 495.628 3.350 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305714188 1069117104 /nfs/dbraw/zinc/11/71/04/1069117104.db2.gz ZKEOWINDPFXQLO-XMMPIXPASA-N 1 0 487.737 3.437 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCOCC1 ZINC001305714080 1069117149 /nfs/dbraw/zinc/11/71/49/1069117149.db2.gz WTODVTKAPIVQIV-NZQKXSOJSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(cc[nH]c2=O)C1)[NH+](C)C ZINC001305714331 1069117666 /nfs/dbraw/zinc/11/76/66/1069117666.db2.gz FJXKAOFQEPRSAB-NNWRFLSQSA-N 1 0 472.634 3.032 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001305714479 1069117686 /nfs/dbraw/zinc/11/76/86/1069117686.db2.gz JEZGTEYLIOFKCX-FCHUYYIVSA-N 1 0 460.667 3.020 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)[NH+](C)C ZINC001305714806 1069119014 /nfs/dbraw/zinc/11/90/14/1069119014.db2.gz KXQSRUGCPOAGCH-RJGXRXQPSA-N 1 0 473.666 3.296 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1)[NH+](C)C ZINC001305715360 1069120292 /nfs/dbraw/zinc/12/02/92/1069120292.db2.gz KRLZWPLWJPOMSC-XZOQPEGZSA-N 1 0 484.645 3.164 20 0 JGADRO CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)[NH+](C)C ZINC001305716227 1069122351 /nfs/dbraw/zinc/12/23/51/1069122351.db2.gz PNPAMPVFAPTIHH-GOTSBHOMSA-N 1 0 497.688 3.396 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305716637 1069122933 /nfs/dbraw/zinc/12/29/33/1069122933.db2.gz RBTXUWLZUHQSLP-KJOQGJGQSA-N 1 0 487.693 3.280 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CC1COC(C)(C)OC1)[NH+]1CCOCC1 ZINC001305716871 1069123676 /nfs/dbraw/zinc/12/36/76/1069123676.db2.gz QGJMGTLQRKESJU-DHIUTWEWSA-N 1 0 493.693 3.492 20 0 JGADRO CCC(CC)[C@H](Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305718353 1069125940 /nfs/dbraw/zinc/12/59/40/1069125940.db2.gz YXMUMAFGEJAVBV-NRFANRHFSA-N 1 0 476.710 3.407 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001305719968 1069127941 /nfs/dbraw/zinc/12/79/41/1069127941.db2.gz HFGGBTFPCBQURV-GHTZIAJQSA-N 1 0 470.666 3.176 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C2Cc3ccccc3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305721246 1069131020 /nfs/dbraw/zinc/13/10/20/1069131020.db2.gz WJEQGJZQZGTKKR-RUZDIDTESA-N 1 0 470.687 3.237 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305726657 1069144110 /nfs/dbraw/zinc/14/41/10/1069144110.db2.gz ROTDMXJXLRYSJD-HSZRJFAPSA-N 1 0 462.639 3.409 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001305728218 1069147755 /nfs/dbraw/zinc/14/77/55/1069147755.db2.gz JDKSTGHEJOWJBY-UXHICEINSA-N 1 0 468.646 3.116 20 0 JGADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CSCN3C(=O)OC(C)(C)C)c3cnccc32)CC1 ZINC001305729013 1069149328 /nfs/dbraw/zinc/14/93/28/1069149328.db2.gz DZAQXZASCSPMHG-FQEVSTJZSA-N 1 0 457.600 3.235 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001305735249 1069155218 /nfs/dbraw/zinc/15/52/18/1069155218.db2.gz FCAKHJRQRGFLMF-UYAOXDASSA-N 1 0 491.681 3.032 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305735303 1069155876 /nfs/dbraw/zinc/15/58/76/1069155876.db2.gz FZKAYVMOXIEAML-KSEOMHKRSA-N 1 0 474.694 3.447 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001305736110 1069157865 /nfs/dbraw/zinc/15/78/65/1069157865.db2.gz NPRKDCVTECZNBC-SFHVURJKSA-N 1 0 456.635 3.310 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001305739661 1069168162 /nfs/dbraw/zinc/16/81/62/1069168162.db2.gz GBLVKNDXQJXJER-RTBURBONSA-N 1 0 462.664 3.422 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741531 1069173726 /nfs/dbraw/zinc/17/37/26/1069173726.db2.gz STXVOQOHZVKSQB-PCCBWWKXSA-N 1 0 495.672 3.169 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741417 1069173744 /nfs/dbraw/zinc/17/37/44/1069173744.db2.gz SBPSYEDJJULVHQ-MSOLQXFVSA-N 1 0 469.634 3.122 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742023 1069174760 /nfs/dbraw/zinc/17/47/60/1069174760.db2.gz UGGYDZJSYJTLAO-HOTGVXAUSA-N 1 0 476.695 3.313 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc(OC)c(F)c1 ZINC001305742621 1069177426 /nfs/dbraw/zinc/17/74/26/1069177426.db2.gz WDZIACDHDARORI-IAGOWNOFSA-N 1 0 460.598 3.311 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001305742905 1069178047 /nfs/dbraw/zinc/17/80/47/1069178047.db2.gz CLEATMLRRYFFRT-RBUKOAKNSA-N 1 0 491.681 3.032 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc([C@H](C)O)cc1 ZINC001305744109 1069182542 /nfs/dbraw/zinc/18/25/42/1069182542.db2.gz ZVJGBMPAASRPGK-OTWHNJEPSA-N 1 0 456.635 3.217 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2CC)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001305748417 1069192861 /nfs/dbraw/zinc/19/28/61/1069192861.db2.gz HXMUQSDOMYYTBZ-PZJWPPBQSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001305751793 1069198162 /nfs/dbraw/zinc/19/81/62/1069198162.db2.gz QAIYMNMPQRFRLJ-LJQANCHMSA-N 1 0 470.666 3.188 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305752231 1069199257 /nfs/dbraw/zinc/19/92/57/1069199257.db2.gz OELOELSERSXNRE-UNMCSNQZSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305752228 1069199286 /nfs/dbraw/zinc/19/92/86/1069199286.db2.gz OELOELSERSXNRE-IFMALSPDSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001305753003 1069201528 /nfs/dbraw/zinc/20/15/28/1069201528.db2.gz VTIQAXIWZHHPDC-NJYVYQBISA-N 1 0 484.693 3.292 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305753491 1069202452 /nfs/dbraw/zinc/20/24/52/1069202452.db2.gz YAZVDDGHBSHXSP-HXUWFJFHSA-N 1 0 484.693 3.434 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001305753692 1069203019 /nfs/dbraw/zinc/20/30/19/1069203019.db2.gz CCYDOYKWKUSUOP-KBMIEXCESA-N 1 0 488.702 3.478 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(F)(F)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305754675 1069205709 /nfs/dbraw/zinc/20/57/09/1069205709.db2.gz GURAUEXJKJGXID-SFHVURJKSA-N 1 0 452.525 3.484 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@]1(C)CCCO1 ZINC001305755172 1069206984 /nfs/dbraw/zinc/20/69/84/1069206984.db2.gz KPQLSQNSCGRBIW-UNVFRBQDSA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3ccnn3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305755650 1069207948 /nfs/dbraw/zinc/20/79/48/1069207948.db2.gz OEDNDZLYPGAJJZ-HXUWFJFHSA-N 1 0 499.708 3.215 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001305755908 1069208450 /nfs/dbraw/zinc/20/84/50/1069208450.db2.gz BFHVMYQYQFPJIP-XIFFEERXSA-N 1 0 480.723 3.198 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305756302 1069210021 /nfs/dbraw/zinc/21/00/21/1069210021.db2.gz FSHRDQDVQNYJLE-QHCPKHFHSA-N 1 0 495.672 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCc1c(C)cccc1C ZINC001305756883 1069212293 /nfs/dbraw/zinc/21/22/93/1069212293.db2.gz LHZWRBDEVDPAIB-XMMPIXPASA-N 1 0 495.716 3.272 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305758121 1069216285 /nfs/dbraw/zinc/21/62/85/1069216285.db2.gz BPHHMQDROYXQJC-IBGZPJMESA-N 1 0 483.661 3.372 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001305758233 1069216418 /nfs/dbraw/zinc/21/64/18/1069216418.db2.gz JFJFVPJABWTDGF-FQEVSTJZSA-N 1 0 469.634 3.124 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305759220 1069220475 /nfs/dbraw/zinc/22/04/75/1069220475.db2.gz CAJIGISCBLFNSI-NBGIEHNGSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3oncc3C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001305760756 1069226068 /nfs/dbraw/zinc/22/60/68/1069226068.db2.gz ZECDDMRNIVOWQQ-UHFFFAOYSA-N 1 0 457.623 3.402 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1CC[N@H+]1CC=CCC1 ZINC001305760735 1069226296 /nfs/dbraw/zinc/22/62/96/1069226296.db2.gz YHSYVWAERABACN-UHFFFAOYSA-N 1 0 454.594 3.469 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305761654 1069229142 /nfs/dbraw/zinc/22/91/42/1069229142.db2.gz CFUQOYBARPPAMM-ONTIZHBOSA-N 1 0 460.667 3.060 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001305762759 1069231379 /nfs/dbraw/zinc/23/13/79/1069231379.db2.gz HLAOZLMQOUILRY-OAQYLSRUSA-N 1 0 482.673 3.303 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305765948 1069237338 /nfs/dbraw/zinc/23/73/38/1069237338.db2.gz ZTPZGWCWBFMUHX-FQEVSTJZSA-N 1 0 485.496 3.123 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305767857 1069239814 /nfs/dbraw/zinc/23/98/14/1069239814.db2.gz JAYUSTFCXLIOLF-ICSRJNTNSA-N 1 0 486.665 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1ccccc1OC ZINC001305768363 1069241250 /nfs/dbraw/zinc/24/12/50/1069241250.db2.gz AMRDNJUTIBBZMN-NRFANRHFSA-N 1 0 454.619 3.318 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCc1cn[nH]c1 ZINC001305770051 1069246032 /nfs/dbraw/zinc/24/60/32/1069246032.db2.gz JNGAOJFHEVLRIM-OAQYLSRUSA-N 1 0 470.666 3.255 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CC[NH+]1CCCCCC1 ZINC001305770081 1069246086 /nfs/dbraw/zinc/24/60/86/1069246086.db2.gz JZDDFNUJXMDZJV-QFIPXVFZSA-N 1 0 485.681 3.122 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](C)[NH+](C)C ZINC001305770573 1069247114 /nfs/dbraw/zinc/24/71/14/1069247114.db2.gz LXZLAGNDXZSKPD-WBVHZDCISA-N 1 0 484.571 3.203 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001305770969 1069247574 /nfs/dbraw/zinc/24/75/74/1069247574.db2.gz KAPNRUNVZMNGSC-QHCPKHFHSA-N 1 0 468.646 3.456 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1ccc(OC)cc1 ZINC001305773094 1069252147 /nfs/dbraw/zinc/25/21/47/1069252147.db2.gz VSEWVOVFOUUWCP-NRFANRHFSA-N 1 0 454.619 3.318 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1ccc(OC)cc1 ZINC001305773096 1069252215 /nfs/dbraw/zinc/25/22/15/1069252215.db2.gz VSEWVOVFOUUWCP-OAQYLSRUSA-N 1 0 454.619 3.318 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001305778277 1069265116 /nfs/dbraw/zinc/26/51/16/1069265116.db2.gz IXXVWFMEEUPAPO-LJQANCHMSA-N 1 0 491.681 3.128 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1N1CCOCC1 ZINC001305778333 1069265596 /nfs/dbraw/zinc/26/55/96/1069265596.db2.gz BMHJYHBQDLJBID-UHFFFAOYSA-N 1 0 497.688 3.002 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H](C)N(C)c1ccccc1 ZINC001305778536 1069266232 /nfs/dbraw/zinc/26/62/32/1069266232.db2.gz GDYLQIGHLREYGY-FQEVSTJZSA-N 1 0 455.651 3.252 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(C)c3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001305783796 1069278956 /nfs/dbraw/zinc/27/89/56/1069278956.db2.gz XYLWXKXLYWZTGQ-NRFANRHFSA-N 1 0 467.662 3.173 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H](C)[NH+](C)C ZINC001305784888 1069282986 /nfs/dbraw/zinc/28/29/86/1069282986.db2.gz ZSMOBVKZOYCKQE-OAHLLOKOSA-N 1 0 497.475 3.175 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1nccc(C(F)F)n1 ZINC001305785170 1069284326 /nfs/dbraw/zinc/28/43/26/1069284326.db2.gz ILFXJYIOHYWQNK-UHFFFAOYSA-N 1 0 490.603 3.427 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCOc1ccc(Cl)cc1 ZINC001305785198 1069284495 /nfs/dbraw/zinc/28/44/95/1069284495.db2.gz AZLNGLFJIDMPLU-KRWDZBQOSA-N 1 0 463.026 3.459 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCOc1ccc(Cl)cc1 ZINC001305785199 1069284747 /nfs/dbraw/zinc/28/47/47/1069284747.db2.gz AZLNGLFJIDMPLU-QGZVFWFLSA-N 1 0 463.026 3.459 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001305785364 1069285098 /nfs/dbraw/zinc/28/50/98/1069285098.db2.gz FDTKKXJWMPDSBZ-QZTJIDSGSA-N 1 0 460.598 3.334 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001305785669 1069286776 /nfs/dbraw/zinc/28/67/76/1069286776.db2.gz OHUFRCAIKPTNEN-LJQANCHMSA-N 1 0 482.677 3.016 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001305785741 1069287062 /nfs/dbraw/zinc/28/70/62/1069287062.db2.gz KIHFTBNKEWHDFY-SFHVURJKSA-N 1 0 491.681 3.126 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305785650 1069287180 /nfs/dbraw/zinc/28/71/80/1069287180.db2.gz NVZRVXXNFVPXLN-UHFFFAOYSA-N 1 0 481.645 3.268 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001305785743 1069287638 /nfs/dbraw/zinc/28/76/38/1069287638.db2.gz KJGKBHNVCVOBJY-GOSISDBHSA-N 1 0 496.635 3.408 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC1(C)CCCC1 ZINC001305786363 1069290089 /nfs/dbraw/zinc/29/00/89/1069290089.db2.gz VUIBJZRDHMCMDB-IBGZPJMESA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC1(C(C)C)CC1 ZINC001305786464 1069290684 /nfs/dbraw/zinc/29/06/84/1069290684.db2.gz VINFACWTKGLVOX-LJQANCHMSA-N 1 0 460.667 3.322 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001305786597 1069291297 /nfs/dbraw/zinc/29/12/97/1069291297.db2.gz WROSUFHQYQLABY-BCHFMIIMSA-N 1 0 474.694 3.448 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCc1c[nH]nc1C ZINC001305786684 1069291319 /nfs/dbraw/zinc/29/13/19/1069291319.db2.gz YEHHBIIWDGMUIV-SFHVURJKSA-N 1 0 470.666 3.171 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001305786871 1069292075 /nfs/dbraw/zinc/29/20/75/1069292075.db2.gz CCSXBZIDZMAPLQ-UHFFFAOYSA-N 1 0 498.676 3.294 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305786984 1069292406 /nfs/dbraw/zinc/29/24/06/1069292406.db2.gz ZXRFUXXVOBDZHO-IEBWSBKVSA-N 1 0 487.615 3.144 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCn3c(nc4c3CCCC4)C2)n1CC[NH+](C(C)C)C(C)C ZINC001305787177 1069293208 /nfs/dbraw/zinc/29/32/08/1069293208.db2.gz LPCGIMNJCNKIRO-UHFFFAOYSA-N 1 0 484.693 3.411 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@](C)(O)C1CC1 ZINC001305787318 1069293680 /nfs/dbraw/zinc/29/36/80/1069293680.db2.gz JLFZCOATFDYYQQ-NIYFSFCBSA-N 1 0 468.646 3.068 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCc1cccc(F)c1F ZINC001305788092 1069295619 /nfs/dbraw/zinc/29/56/19/1069295619.db2.gz HKODIEPLNKXTBR-IBGZPJMESA-N 1 0 460.573 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@]1(C)CCCO1 ZINC001305788949 1069298355 /nfs/dbraw/zinc/29/83/55/1069298355.db2.gz YBYFGMOOLFNXKR-RUZDIDTESA-N 1 0 460.667 3.468 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305789947 1069300140 /nfs/dbraw/zinc/30/01/40/1069300140.db2.gz GORCAJPNEBWDER-DLBZAZTESA-N 1 0 474.572 3.084 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1c(F)cc(F)c(F)c1F ZINC001305790727 1069302220 /nfs/dbraw/zinc/30/22/20/1069302220.db2.gz WVGJLSRBPTZHKY-OAHLLOKOSA-N 1 0 482.526 3.476 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001305791229 1069303615 /nfs/dbraw/zinc/30/36/15/1069303615.db2.gz ZXXLCJSQLOETBT-GHTZIAJQSA-N 1 0 472.609 3.478 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCC3)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001305791346 1069303979 /nfs/dbraw/zinc/30/39/79/1069303979.db2.gz JSCBQDIUHWPARC-CYFREDJKSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001305791232 1069304091 /nfs/dbraw/zinc/30/40/91/1069304091.db2.gz ZXXLCJSQLOETBT-WIYYLYMNSA-N 1 0 472.609 3.478 20 0 JGADRO CCCOc1c(Br)cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000020932883 195251686 /nfs/dbraw/zinc/25/16/86/195251686.db2.gz LMIXOHNXYPGAHG-UHFFFAOYSA-N 1 0 457.390 3.226 20 0 JGADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1CN1CC[C@H](CO)C1 ZINC001164389151 718815045 /nfs/dbraw/zinc/81/50/45/718815045.db2.gz UGEGZIFYFKOZHE-UWJYYQICSA-N 1 0 497.606 3.391 20 0 JGADRO OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164402605 718853708 /nfs/dbraw/zinc/85/37/08/718853708.db2.gz GNWAXBZLHGMTKY-MWTRTKDXSA-N 1 0 455.653 3.424 20 0 JGADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164401517 718857699 /nfs/dbraw/zinc/85/76/99/718857699.db2.gz FZQGGMLHZHSGRE-SXLOBPIMSA-N 1 0 477.609 3.053 20 0 JGADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164431867 718971213 /nfs/dbraw/zinc/97/12/13/718971213.db2.gz CDEPTEQPOZXCFI-JKSUJKDBSA-N 1 0 454.827 3.074 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C3(CC[C@@]2(C(=O)OCC)C1)CC[NH2+]CC3 ZINC001164616202 719006980 /nfs/dbraw/zinc/00/69/80/719006980.db2.gz KNZUQZKLSSJGME-YCRPNKLZSA-N 1 0 486.947 3.001 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164616009 719007749 /nfs/dbraw/zinc/00/77/49/719007749.db2.gz KHCHJYGMVBHGFD-CUBQBAPOSA-N 1 0 475.637 3.184 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164620114 719008384 /nfs/dbraw/zinc/00/83/84/719008384.db2.gz XODPAXXLDCMURB-YCRPNKLZSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164617579 719008769 /nfs/dbraw/zinc/00/87/69/719008769.db2.gz OQVQPQWUOSDYMC-BTYIYWSLSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)C2 ZINC001164615552 719008802 /nfs/dbraw/zinc/00/88/02/719008802.db2.gz IPCCXAGGTUPYJQ-IERDGZPVSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164615211 719010745 /nfs/dbraw/zinc/01/07/45/719010745.db2.gz HORZAQFFRQAQEY-IERDGZPVSA-N 1 0 454.949 3.313 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164616642 719010754 /nfs/dbraw/zinc/01/07/54/719010754.db2.gz LFJKUINDKYAUFY-KKSFZXQISA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)C2 ZINC001164618860 719011412 /nfs/dbraw/zinc/01/14/12/719011412.db2.gz UELQYFQISNNINA-QVKFZJNVSA-N 1 0 481.931 3.479 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1[C@@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164614454 719015481 /nfs/dbraw/zinc/01/54/81/719015481.db2.gz FLHNGFSOXYBHPA-CNWOVPGOSA-N 1 0 494.398 3.147 20 0 JGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164618296 719017361 /nfs/dbraw/zinc/01/73/61/719017361.db2.gz SAHSDGSBCOXKLK-WDSOQIARSA-N 1 0 469.655 3.142 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)N(CC)CC)cc(Cl)n3)CC2)CC1 ZINC001164617039 719027775 /nfs/dbraw/zinc/02/77/75/719027775.db2.gz JLXPDVDDHVOBGG-UHFFFAOYSA-N 1 0 451.011 3.461 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN([C@](F)(COc3cncc(Cl)n3)C(F)F)CC2)CC1 ZINC001164616551 719032842 /nfs/dbraw/zinc/03/28/42/719032842.db2.gz FKFYYMQVZKCPPF-HXUWFJFHSA-N 1 0 464.916 3.179 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)CC2)CC1 ZINC001164617885 719034161 /nfs/dbraw/zinc/03/41/61/719034161.db2.gz OVKSXWGAYOBNIH-UHFFFAOYSA-N 1 0 479.625 3.224 20 0 JGADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618941 719084955 /nfs/dbraw/zinc/08/49/55/719084955.db2.gz BQOJVNCBIXWYRL-QZTJIDSGSA-N 1 0 454.962 3.144 20 0 JGADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164630614 719138365 /nfs/dbraw/zinc/13/83/65/719138365.db2.gz JXCMHPZWKLCLOA-AWEZNQCLSA-N 1 0 450.795 3.312 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)nc1 ZINC001164635088 719259418 /nfs/dbraw/zinc/25/94/18/719259418.db2.gz HSDOQYMGRSOGQA-HSZRJFAPSA-N 1 0 481.645 3.159 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164635772 719266333 /nfs/dbraw/zinc/26/63/33/719266333.db2.gz IFJQRTXESURZRB-WHSBFGAESA-N 1 0 466.630 3.451 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164635750 719266491 /nfs/dbraw/zinc/26/64/91/719266491.db2.gz IFJQRTXESURZRB-HNVPCBRESA-N 1 0 466.630 3.451 20 0 JGADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164664082 719347137 /nfs/dbraw/zinc/34/71/37/719347137.db2.gz QKTHWFZTNWJTJO-UHFFFAOYSA-N 1 0 464.017 3.470 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncccc3C(=O)N3CCCC3)CC2)c2ccccc21 ZINC001164680327 719656522 /nfs/dbraw/zinc/65/65/22/719656522.db2.gz FLOWMAWPSKGZLB-QFIPXVFZSA-N 1 0 489.664 3.411 20 0 JGADRO CCOC(=O)Cc1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679924 719660571 /nfs/dbraw/zinc/66/05/71/719660571.db2.gz AFYSUHHUDUFAJD-QFIPXVFZSA-N 1 0 478.637 3.281 20 0 JGADRO COC(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C)c1 ZINC001164680795 719663795 /nfs/dbraw/zinc/66/37/95/719663795.db2.gz IURFSJPORHZMBK-HXUWFJFHSA-N 1 0 464.610 3.270 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4cnc(F)cc43)CC2)c2ccccc21 ZINC001164680202 719663989 /nfs/dbraw/zinc/66/39/89/719663989.db2.gz DCTNLAFYZGMEAW-SFHVURJKSA-N 1 0 462.573 3.257 20 0 JGADRO COC(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(F)c1 ZINC001164680419 719665768 /nfs/dbraw/zinc/66/57/68/719665768.db2.gz DVJWLWYEYQXCTO-GOSISDBHSA-N 1 0 468.573 3.101 20 0 JGADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164684528 719669040 /nfs/dbraw/zinc/66/90/40/719669040.db2.gz UOBCNJLKRUIBAQ-QFIPXVFZSA-N 1 0 478.637 3.281 20 0 JGADRO Cc1nc2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2n1C ZINC001164680447 719669248 /nfs/dbraw/zinc/66/92/48/719669248.db2.gz FHTRQOKASSMUSB-HXUWFJFHSA-N 1 0 460.626 3.370 20 0 JGADRO CN(C)c1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686858 719669955 /nfs/dbraw/zinc/66/99/55/719669955.db2.gz YENNFTJNTGJUFJ-GOSISDBHSA-N 1 0 471.049 3.289 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(OCC4CC4)ncn3)CC2)c2ccccc21 ZINC001164683178 719672329 /nfs/dbraw/zinc/67/23/29/719672329.db2.gz RBGKLJUDANCJGF-NRFANRHFSA-N 1 0 463.626 3.359 20 0 JGADRO COC(=O)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1C ZINC001164681195 719672576 /nfs/dbraw/zinc/67/25/76/719672576.db2.gz KMIZFEWRQZQFRU-HXUWFJFHSA-N 1 0 464.610 3.270 20 0 JGADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(OC)c1 ZINC001164684486 719673545 /nfs/dbraw/zinc/67/35/45/719673545.db2.gz UHWYYXIMJRZVNE-HXUWFJFHSA-N 1 0 494.636 3.360 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cncc(N4CCCC4)n3)CC2)c2ccccc21 ZINC001164682948 719674049 /nfs/dbraw/zinc/67/40/49/719674049.db2.gz QDPWXUHQURPZRD-NRFANRHFSA-N 1 0 462.642 3.170 20 0 JGADRO Cc1sc2nc(CN3CCOCC3)nc(N(c3ncccc3F)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)c2c1C ZINC001164690801 719761171 /nfs/dbraw/zinc/76/11/71/719761171.db2.gz ILXUEJSYVYUPAM-AVRWGWEMSA-N 1 0 498.628 3.334 20 0 JGADRO O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)N1Cc1cccnc1 ZINC001164690777 719777654 /nfs/dbraw/zinc/77/76/54/719777654.db2.gz IEPYFVVCGPCRNC-UXHICEINSA-N 1 0 459.928 3.431 20 0 JGADRO 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CC(C)n1nc(CN(c2nccs2)c2ccc(CN3CCOCC3)cn2)c2c1C[NH2+]CC2 ZINC001164710762 720091375 /nfs/dbraw/zinc/09/13/75/720091375.db2.gz MCHCSOPYYXDKJJ-UHFFFAOYSA-N 1 0 453.616 3.132 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164710273 720096319 /nfs/dbraw/zinc/09/63/19/720096319.db2.gz IDGQVVJUXLULPA-QGZVFWFLSA-N 1 0 479.959 3.281 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164710014 720101362 /nfs/dbraw/zinc/10/13/62/720101362.db2.gz FLRDUEDTZJEGRN-JOCHJYFZSA-N 1 0 461.566 3.319 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ccc(C(=O)OC)cc3n1)CC2 ZINC001164711213 720101754 /nfs/dbraw/zinc/10/17/54/720101754.db2.gz PMTDEVLJDDXKPC-QFIPXVFZSA-N 1 0 461.566 3.319 20 0 JGADRO CCOC(=O)c1cc(Cl)nnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164709587 720106625 /nfs/dbraw/zinc/10/66/25/720106625.db2.gz BDGCQUCYQOLPOQ-GOSISDBHSA-N 1 0 459.978 3.209 20 0 JGADRO 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LGTXUUDXSDFRQR-INIZCTEOSA-N 1 0 458.966 3.218 20 0 JGADRO COc1cc2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2cc1OC ZINC001164812663 720218392 /nfs/dbraw/zinc/21/83/92/720218392.db2.gz IAVZPQRFDBQGHM-UHFFFAOYSA-N 1 0 472.977 3.108 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CCC2 ZINC001164812329 720233429 /nfs/dbraw/zinc/23/34/29/720233429.db2.gz FOIHBAHKBWZJOK-UHFFFAOYSA-N 1 0 451.575 3.236 20 0 JGADRO CCOC(=O)c1ccc(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c(Cl)n1 ZINC001164814491 720235168 /nfs/dbraw/zinc/23/51/68/720235168.db2.gz VNBGJCJVMUMTNS-UHFFFAOYSA-N 1 0 483.947 3.264 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CCC2 ZINC001164813332 720240117 /nfs/dbraw/zinc/24/01/17/720240117.db2.gz MWWFIRUDWHOVPU-UHFFFAOYSA-N 1 0 476.581 3.112 20 0 JGADRO CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825907 720295862 /nfs/dbraw/zinc/29/58/62/720295862.db2.gz UKGBLKZPMUTFNW-CABCVRRESA-N 1 0 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CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C(=O)OCc5ccccc5)cn4)C3)O2)CC1 ZINC001164889567 721438704 /nfs/dbraw/zinc/43/87/04/721438704.db2.gz BSWAOJKKCFFVDM-SQHAQQRYSA-N 1 0 464.610 3.204 20 0 JGADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc(Cl)nc2)n1 ZINC001164898695 721444998 /nfs/dbraw/zinc/44/49/98/721444998.db2.gz WODPSCSCUDNSRH-GBXCKJPGSA-N 1 0 457.022 3.266 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC001164788745 721448367 /nfs/dbraw/zinc/44/83/67/721448367.db2.gz UBWYJODIGGUZHD-QFIPXVFZSA-N 1 0 456.631 3.052 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CCCCC1)CC2 ZINC001164787721 721451593 /nfs/dbraw/zinc/45/15/93/721451593.db2.gz QAFCOMRGETVBLR-HSZRJFAPSA-N 1 0 470.658 3.442 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164892746 721451739 /nfs/dbraw/zinc/45/17/39/721451739.db2.gz XVJUXHGFFWYUHO-WIYYLYMNSA-N 1 0 487.979 3.137 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164788598 721453759 /nfs/dbraw/zinc/45/37/59/721453759.db2.gz RQPOGPIWIOBRLM-LJQANCHMSA-N 1 0 451.995 3.256 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3nc1N1CCOCC1)CC2 ZINC001164787537 721458875 /nfs/dbraw/zinc/45/88/75/721458875.db2.gz RGENEWBKNVCCIW-HSZRJFAPSA-N 1 0 495.668 3.200 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cl)c(C(=O)OC)n1)CC2 ZINC001164784873 721458926 /nfs/dbraw/zinc/45/89/26/721458926.db2.gz KNSGCUCYYRRJKS-GOSISDBHSA-N 1 0 451.995 3.256 20 0 JGADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788660 721459582 /nfs/dbraw/zinc/45/95/82/721459582.db2.gz VKNOIXDYCPXBAQ-NRFANRHFSA-N 1 0 472.630 3.265 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)nc(-c3ccccc3)n1)CC2 ZINC001164786876 721462354 /nfs/dbraw/zinc/46/23/54/721462354.db2.gz QCZCCNARJQGLFL-QFIPXVFZSA-N 1 0 467.614 3.281 20 0 JGADRO CCOC(=O)c1cc2ccc(N3CCC4(C[C@@H](COCC5CC5)[N@H+](CCOC)C4)CC3)[nH]c-2n1 ZINC001164782742 721462756 /nfs/dbraw/zinc/46/27/56/721462756.db2.gz BIDOFYWMLZNCIJ-NRFANRHFSA-N 1 0 470.614 3.474 20 0 JGADRO CCOC(=O)/C=C/c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164782733 721463003 /nfs/dbraw/zinc/46/30/03/721463003.db2.gz BFYNOOSEZRUBDV-WCYCAPIHSA-N 1 0 457.615 3.392 20 0 JGADRO CCOCc1cnc(Cl)nc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164782799 721464584 /nfs/dbraw/zinc/46/45/84/721464584.db2.gz CIOXFIYQZXCISS-FQEVSTJZSA-N 1 0 453.027 3.400 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(N3CCC(C)CC3)nn1)CC2 ZINC001164789985 721467434 /nfs/dbraw/zinc/46/74/34/721467434.db2.gz PSSXYHVUJBHZAG-HSZRJFAPSA-N 1 0 457.663 3.447 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164787248 721467457 /nfs/dbraw/zinc/46/74/57/721467457.db2.gz DPFDPRFJWOLKLH-MRXNPFEDSA-N 1 0 484.979 3.237 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164787476 721470088 /nfs/dbraw/zinc/47/00/88/721470088.db2.gz FZVJGKFQEQPTLJ-MRXNPFEDSA-N 1 0 481.428 3.461 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164787223 721473521 /nfs/dbraw/zinc/47/35/21/721473521.db2.gz DMRJNRFLYMSINB-PMACEKPBSA-N 1 0 481.037 3.032 20 0 JGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164788073 721473817 /nfs/dbraw/zinc/47/38/17/721473817.db2.gz IBXXLNVANJTPOC-LJQANCHMSA-N 1 0 480.053 3.004 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2 ZINC001164786429 721474195 /nfs/dbraw/zinc/47/41/95/721474195.db2.gz BFUUWOFNQPWFID-IEBWSBKVSA-N 1 0 481.037 3.140 20 0 JGADRO O=C(C[C@]12COC[C@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2)NCC1CC1 ZINC001164899123 721485089 /nfs/dbraw/zinc/48/50/89/721485089.db2.gz YCHWNNPHDAFZBA-GCJKJVERSA-N 1 0 466.960 3.026 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2nc(Cl)c4cc(Cl)ccc4n2)CC3)CC1 ZINC001164794742 721510873 /nfs/dbraw/zinc/51/08/73/721510873.db2.gz VDDMUSLQXIXNFO-UHFFFAOYSA-N 1 0 482.366 3.446 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4nc(Cl)nc(Cl)c4c2)CC3)CC1 ZINC001164794081 721512035 /nfs/dbraw/zinc/51/20/35/721512035.db2.gz DYOVEGOIGPGKQF-UHFFFAOYSA-N 1 0 482.366 3.446 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccc(Cl)s4)nc4c2CCC4)CC3)CC1 ZINC001164795790 721520600 /nfs/dbraw/zinc/52/06/00/721520600.db2.gz SEILNICCAOSKAY-UHFFFAOYSA-N 1 0 470.046 3.311 20 0 JGADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906877 721539490 /nfs/dbraw/zinc/53/94/90/721539490.db2.gz LQJRUKKTOMKRNI-UKRRQHHQSA-N 1 0 455.317 3.441 20 0 JGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@@H+]3C2)c1 ZINC001164911434 721541935 /nfs/dbraw/zinc/54/19/35/721541935.db2.gz WRWDKRCVVRBTEK-JTHBVZDNSA-N 1 0 475.572 3.405 20 0 JGADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906927 721546783 /nfs/dbraw/zinc/54/67/83/721546783.db2.gz LVPKSZVRLJDABC-MJGOQNOKSA-N 1 0 470.545 3.334 20 0 JGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3COC(=O)C(C)(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164802452 721554875 /nfs/dbraw/zinc/55/48/75/721554875.db2.gz IQNVFSYQHPMOFQ-YPAWHYETSA-N 1 0 478.597 3.241 20 0 JGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4c(Cl)nnc(Cl)c4N4CCOCC4)CC[N@@H+]3C2)c1 ZINC001164904293 721568411 /nfs/dbraw/zinc/56/84/11/721568411.db2.gz DUQRAJLORGWJFC-NVXWUHKLSA-N 1 0 468.360 3.101 20 0 JGADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@]5(CCCN(c6cnccn6)C5)C4)ccc3C2)cc1 ZINC001164902249 721579873 /nfs/dbraw/zinc/57/98/73/721579873.db2.gz DSIIWRQHAIBRDI-MHZLTWQESA-N 1 0 456.594 3.306 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](COCC(=O)N3CCCC3)C2)nc1 ZINC001164904505 721582327 /nfs/dbraw/zinc/58/23/27/721582327.db2.gz QVJJBVUFBHUAHU-ISKFKSNPSA-N 1 0 480.657 3.491 20 0 JGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164801880 721585192 /nfs/dbraw/zinc/58/51/92/721585192.db2.gz GCAFJULQBPASRD-SKVJQKLOSA-N 1 0 485.636 3.066 20 0 JGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)nc1 ZINC001164797350 721594441 /nfs/dbraw/zinc/59/44/41/721594441.db2.gz GIXJCICRKAVXIE-URXFXBBRSA-N 1 0 456.612 3.329 20 0 JGADRO C[NH+]1CCN(c2cccc(N3CCC[C@]4(CC(C(=O)Nc5cccc(Cl)c5)=NO4)C3)n2)CC1 ZINC001164797998 721605648 /nfs/dbraw/zinc/60/56/48/721605648.db2.gz DVKQGPKNAPGXGC-DEOSSOPVSA-N 1 0 468.989 3.241 20 0 JGADRO c1cnn(C[C@@H]2CC[C@@]3(COCCN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164808216 721607422 /nfs/dbraw/zinc/60/74/22/721607422.db2.gz XFBVMZWOEGVLMQ-RPLLCQBOSA-N 1 0 459.594 3.291 20 0 JGADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164906692 721693526 /nfs/dbraw/zinc/69/35/26/721693526.db2.gz OORUYPSGYNHZNU-QFIPXVFZSA-N 1 0 456.497 3.267 20 0 JGADRO O=C1NCCc2[nH]c(-c3ccnc(N4CCC(F)(F)[C@]5(CC[N@H+](Cc6ccccn6)C5)C4)c3)cc21 ZINC001164903767 721701651 /nfs/dbraw/zinc/70/16/51/721701651.db2.gz CEYAOCMVTLDNSU-VWLOTQADSA-N 1 0 478.547 3.495 20 0 JGADRO FC1(F)CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906444 721723052 /nfs/dbraw/zinc/72/30/52/721723052.db2.gz MANIZDMWGBGCFV-DEOSSOPVSA-N 1 0 484.599 3.205 20 0 JGADRO COc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(N2CCCCCC2)n1 ZINC001164905560 721723375 /nfs/dbraw/zinc/72/33/75/721723375.db2.gz HKRAMHRHBZCNRJ-QHCPKHFHSA-N 1 0 473.572 3.393 20 0 JGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913839 721738473 /nfs/dbraw/zinc/73/84/73/721738473.db2.gz YVACIPHJCJYXGT-NRFANRHFSA-N 1 0 464.948 3.403 20 0 JGADRO O=C1N(c2cncnc2)CC[C@]12CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001165023690 721783896 /nfs/dbraw/zinc/78/38/96/721783896.db2.gz TWWJSBGUFJYORF-MHZLTWQESA-N 1 0 454.578 3.453 20 0 JGADRO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)C[C@H]32)cc1 ZINC001165024371 721794783 /nfs/dbraw/zinc/79/47/83/721794783.db2.gz SJIVRPRFCUWDDK-SXOMAYOGSA-N 1 0 484.600 3.265 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164914333 721800068 /nfs/dbraw/zinc/80/00/68/721800068.db2.gz LXIBEEOEOCHHDM-RSXGOPAZSA-N 1 0 451.615 3.131 20 0 JGADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165018770 721816579 /nfs/dbraw/zinc/81/65/79/721816579.db2.gz AAFHBZRDXVJIKE-WDSOQIARSA-N 1 0 484.004 3.175 20 0 JGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3scnc3c(N3CCOCC3)n2)CC1 ZINC001165021531 721839992 /nfs/dbraw/zinc/83/99/92/721839992.db2.gz NRJYMNQUSZVVGO-UHFFFAOYSA-N 1 0 484.626 3.041 20 0 JGADRO CCOC(=O)Cc1nc(Cl)cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165023377 721840300 /nfs/dbraw/zinc/84/03/00/721840300.db2.gz WAVIHHAHLCPNFQ-UHFFFAOYSA-N 1 0 462.978 3.354 20 0 JGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2c(Cl)nc(Cl)nc2C(N)=O)CC1 ZINC001165020366 721841550 /nfs/dbraw/zinc/84/15/50/721841550.db2.gz CYJBDKLPKURELG-UHFFFAOYSA-N 1 0 454.358 3.000 20 0 JGADRO CCOC(=O)[C@@H]1CCc2nnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)cc2C1 ZINC001165031025 721845065 /nfs/dbraw/zinc/84/50/65/721845065.db2.gz OTYSOSIWXBEEND-GOSISDBHSA-N 1 0 468.598 3.263 20 0 JGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cc(O[C@@H]3CCOC3)n2)CC1 ZINC001165030354 721845185 /nfs/dbraw/zinc/84/51/85/721845185.db2.gz JPAKEMZHJRVCFK-QGZVFWFLSA-N 1 0 462.978 3.416 20 0 JGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164923427 721851870 /nfs/dbraw/zinc/85/18/70/721851870.db2.gz AKQVSYPSPHPSKC-RPBOFIJWSA-N 1 0 486.599 3.242 20 0 JGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC001164930948 721888414 /nfs/dbraw/zinc/88/84/14/721888414.db2.gz DNVZFZAWCHOENK-RBUKOAKNSA-N 1 0 467.948 3.348 20 0 JGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(C(=O)N5CCOCC5)cc4Cl)CC3)C2)cc1 ZINC001164939961 721930983 /nfs/dbraw/zinc/93/09/83/721930983.db2.gz PFJBKFDQEHQESQ-UHFFFAOYSA-N 1 0 485.028 3.387 20 0 JGADRO COC(=O)c1cc2c(ncnc2N2CCCC[C@H]2CC[NH+]2CCCC2)n1S(=O)(=O)c1ccccc1 ZINC001165050603 721974649 /nfs/dbraw/zinc/97/46/49/721974649.db2.gz ZQFWVSNICDCQRI-IBGZPJMESA-N 1 0 497.621 3.300 20 0 JGADRO COC[C@]12COC[C@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2 ZINC001164954922 721994556 /nfs/dbraw/zinc/99/45/56/721994556.db2.gz XWDSMODRYCQJJE-KBMIEXCESA-N 1 0 483.996 3.496 20 0 JGADRO CC1(C)C(=O)NCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001165052099 721994959 /nfs/dbraw/zinc/99/49/59/721994959.db2.gz SAMWDPBMCYIGNP-UHFFFAOYSA-N 1 0 454.958 3.112 20 0 JGADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164955455 722022510 /nfs/dbraw/zinc/02/25/10/722022510.db2.gz HNDORNHFUWKYRC-UHFFFAOYSA-N 1 0 457.644 3.436 20 0 JGADRO CCOC(=O)c1cnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1C(=O)OCC ZINC001164962068 722025048 /nfs/dbraw/zinc/02/50/48/722025048.db2.gz PBDIYHQFELXRPO-UHFFFAOYSA-N 1 0 452.555 3.323 20 0 JGADRO Cc1ccc(N(c2ncnc3c2CN(Cc2ccccc2)CC3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164962691 722025545 /nfs/dbraw/zinc/02/55/45/722025545.db2.gz QXFNEMGLNUWXQE-CUNXSJBXSA-N 1 0 471.609 3.183 20 0 JGADRO c1ccc(N2CCN(c3ccc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)nn3)CC2)cc1 ZINC001164960721 722059949 /nfs/dbraw/zinc/05/99/49/722059949.db2.gz JETVVXGSTCUARJ-UHFFFAOYSA-N 1 0 499.663 3.317 20 0 JGADRO CCOC(=O)c1sc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164983494 722099666 /nfs/dbraw/zinc/09/96/66/722099666.db2.gz QMDXMSCYGMIQJT-OALUTQOASA-N 1 0 467.595 3.299 20 0 JGADRO O=C(c1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1)N1CCCCC1 ZINC001164980776 722105636 /nfs/dbraw/zinc/10/56/36/722105636.db2.gz KJRMVHCKWYVBPW-IFMALSPDSA-N 1 0 470.017 3.483 20 0 JGADRO COC(=O)c1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164972606 722109291 /nfs/dbraw/zinc/10/92/91/722109291.db2.gz GDBHROVLSOBUPF-QFBILLFUSA-N 1 0 466.916 3.189 20 0 JGADRO COc1cc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164974915 722110334 /nfs/dbraw/zinc/11/03/34/722110334.db2.gz IVLYOWXKKPPIKS-VGSWGCGISA-N 1 0 469.973 3.423 20 0 JGADRO c1ccc(CN2CCc3c(ncnc3N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970870 722112055 /nfs/dbraw/zinc/11/20/55/722112055.db2.gz AFMHEMQHVIOLKR-RPLLCQBOSA-N 1 0 470.621 3.157 20 0 JGADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164971019 722113570 /nfs/dbraw/zinc/11/35/70/722113570.db2.gz BBTXJQSFLSRJRE-VQIMIIECSA-N 1 0 466.916 3.189 20 0 JGADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974379 722133440 /nfs/dbraw/zinc/13/34/40/722133440.db2.gz DKQLYIHFHJBONO-REWPJTCUSA-N 1 0 497.640 3.480 20 0 JGADRO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984215 722135665 /nfs/dbraw/zinc/13/56/65/722135665.db2.gz WMFYOQBAWSHPRY-APWZRJJASA-N 1 0 460.916 3.345 20 0 JGADRO O=C(c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1)N1CCc2ccccc21 ZINC001164978079 722140077 /nfs/dbraw/zinc/14/00/77/722140077.db2.gz JOVVSQOXFCFODX-OZXSUGGESA-N 1 0 469.589 3.407 20 0 JGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@H]3C2)c1 ZINC001164983822 722147164 /nfs/dbraw/zinc/14/71/64/722147164.db2.gz VJZWYBBLMAVRBY-NVQXNPDNSA-N 1 0 473.577 3.427 20 0 JGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164983819 722147249 /nfs/dbraw/zinc/14/72/49/722147249.db2.gz VJZWYBBLMAVRBY-ATIYNZHBSA-N 1 0 473.577 3.427 20 0 JGADRO COc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c(OC)c1OC ZINC001164977974 722151154 /nfs/dbraw/zinc/15/11/54/722151154.db2.gz JAHYPWFHBUCGSE-GBXCKJPGSA-N 1 0 491.592 3.292 20 0 JGADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974690 722156244 /nfs/dbraw/zinc/15/62/44/722156244.db2.gz OWXSLYFIWDPABK-HKUYNNGSSA-N 1 0 481.931 3.494 20 0 JGADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(N4CCCC4)nc(N4CCCC4)n2)C3)c1 ZINC001164997214 722207598 /nfs/dbraw/zinc/20/75/98/722207598.db2.gz XDWQTXHJKPPOTM-VWLOTQADSA-N 1 0 451.594 3.456 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(c1c(Cl)nnc(Cl)c1N1CCCCC1)CCC2 ZINC001165004273 722258093 /nfs/dbraw/zinc/25/80/93/722258093.db2.gz PDTFIIRVBYRUGE-UHFFFAOYSA-N 1 0 468.433 3.459 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOCC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001305794865 1069313694 /nfs/dbraw/zinc/31/36/94/1069313694.db2.gz GSYPRVJCLCMRKV-UHFFFAOYSA-N 1 0 454.619 3.067 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305795541 1069314615 /nfs/dbraw/zinc/31/46/15/1069314615.db2.gz QBOBXUUHRDTVOG-HJNYFJLDSA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305796978 1069317774 /nfs/dbraw/zinc/31/77/74/1069317774.db2.gz ZPCNQRDPYCKOLH-HXUWFJFHSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305800039 1069322171 /nfs/dbraw/zinc/32/21/71/1069322171.db2.gz JYUTURSVAFPJIW-KRWDZBQOSA-N 1 0 466.696 3.028 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001305801298 1069323409 /nfs/dbraw/zinc/32/34/09/1069323409.db2.gz RHXGRSHFTMTAJY-NRFANRHFSA-N 1 0 492.734 3.419 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305801291 1069323573 /nfs/dbraw/zinc/32/35/73/1069323573.db2.gz RHGGVMGFCVVCJO-QGZVFWFLSA-N 1 0 462.639 3.409 20 0 JGADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1)[NH+]1CCCC1 ZINC001305802525 1069326111 /nfs/dbraw/zinc/32/61/11/1069326111.db2.gz DEBQQTVGAWZKJY-BVYCBKJFSA-N 1 0 472.609 3.396 20 0 JGADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)Oc1ccccc1F ZINC001305804908 1069330751 /nfs/dbraw/zinc/33/07/51/1069330751.db2.gz VUDIZMNNATYPIM-PMACEKPBSA-N 1 0 472.609 3.478 20 0 JGADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC001305805147 1069331485 /nfs/dbraw/zinc/33/14/85/1069331485.db2.gz XDVFYSLIPNZZGY-QFIPXVFZSA-N 1 0 468.646 3.159 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001305806670 1069335121 /nfs/dbraw/zinc/33/51/21/1069335121.db2.gz GXTDMFAQKZTYDD-OALUTQOASA-N 1 0 496.475 3.205 20 0 JGADRO CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)Oc1ccccc1F ZINC001305809050 1069338650 /nfs/dbraw/zinc/33/86/50/1069338650.db2.gz XQSYTNCGTAKTHQ-FPOVZHCZSA-N 1 0 472.609 3.141 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)[C@@H]1CC)[NH+]1CCCC1 ZINC001305808890 1069338781 /nfs/dbraw/zinc/33/87/81/1069338781.db2.gz GJGUZDMUSHTBAA-MJGOQNOKSA-N 1 0 462.545 3.136 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001305810135 1069340328 /nfs/dbraw/zinc/34/03/28/1069340328.db2.gz OOSZABGRQWIRHA-DHIUTWEWSA-N 1 0 498.672 3.204 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1cnccn1)[NH+]1CCCC1 ZINC001305812163 1069342370 /nfs/dbraw/zinc/34/23/70/1069342370.db2.gz TVUCTUHBAGKORN-IBGZPJMESA-N 1 0 487.450 3.389 20 0 JGADRO CC[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001305814465 1069346174 /nfs/dbraw/zinc/34/61/74/1069346174.db2.gz IAXOEZOMHBEGIL-HKUYNNGSSA-N 1 0 459.616 3.435 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001305814313 1069345638 /nfs/dbraw/zinc/34/56/38/1069345638.db2.gz DWVRYLGGXBGARP-ROUUACIJSA-N 1 0 482.050 3.105 20 0 JGADRO CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001305818394 1069353002 /nfs/dbraw/zinc/35/30/02/1069353002.db2.gz AYCXBDWPLIIZFB-RTWAWAEBSA-N 1 0 453.635 3.346 20 0 JGADRO CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305818435 1069353039 /nfs/dbraw/zinc/35/30/39/1069353039.db2.gz BOMCDURJHLBZRA-HXUWFJFHSA-N 1 0 455.607 3.272 20 0 JGADRO CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305818434 1069353263 /nfs/dbraw/zinc/35/32/63/1069353263.db2.gz BOMCDURJHLBZRA-FQEVSTJZSA-N 1 0 455.607 3.272 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC001305818494 1069353820 /nfs/dbraw/zinc/35/38/20/1069353820.db2.gz PGPMBMCRLXMJKV-QFIPXVFZSA-N 1 0 489.686 3.479 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001305817464 1069351785 /nfs/dbraw/zinc/35/17/85/1069351785.db2.gz YLOLVCWNBSMIMR-UNMCSNQZSA-N 1 0 489.686 3.474 20 0 JGADRO CC[C@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC(=O)NC)[NH+]1CCCC1 ZINC001305817696 1069352189 /nfs/dbraw/zinc/35/21/89/1069352189.db2.gz ZVWAFHRCLSBKQC-MRXNPFEDSA-N 1 0 493.450 3.163 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001305823500 1069360465 /nfs/dbraw/zinc/36/04/65/1069360465.db2.gz PJOIGUSNLQBYAF-ICSRJNTNSA-N 1 0 460.026 3.220 20 0 JGADRO CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001305822733 1069359020 /nfs/dbraw/zinc/35/90/20/1069359020.db2.gz YXEFIELWBQDSGY-RTBURBONSA-N 1 0 457.623 3.261 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001305823499 1069359982 /nfs/dbraw/zinc/35/99/82/1069359982.db2.gz PJOIGUSNLQBYAF-AZUAARDMSA-N 1 0 460.026 3.220 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCCC1 ZINC001305825252 1069363640 /nfs/dbraw/zinc/36/36/40/1069363640.db2.gz ZYNMTBPPIPBPRK-FPOVZHCZSA-N 1 0 484.645 3.282 20 0 JGADRO CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001305828542 1069368990 /nfs/dbraw/zinc/36/89/90/1069368990.db2.gz WMMHWYLVUGFFQT-RTBURBONSA-N 1 0 470.622 3.103 20 0 JGADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)[NH+]1CCCC1 ZINC001305832819 1069373535 /nfs/dbraw/zinc/37/35/35/1069373535.db2.gz BOPGVMUIQNIWGN-OAQYLSRUSA-N 1 0 454.667 3.475 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837301 1069380368 /nfs/dbraw/zinc/38/03/68/1069380368.db2.gz SEOWJVROPUMOKT-MHTWAQMVSA-N 1 0 494.681 3.021 20 0 JGADRO CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+]1CCCC1 ZINC001305837214 1069380425 /nfs/dbraw/zinc/38/04/25/1069380425.db2.gz MHYCBVCSGYMIMW-RBUKOAKNSA-N 1 0 460.573 3.126 20 0 JGADRO CC[C@H](Cn1c(CC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001305837459 1069380977 /nfs/dbraw/zinc/38/09/77/1069380977.db2.gz TVIIAZBAMYLTPI-AZUAARDMSA-N 1 0 462.664 3.196 20 0 JGADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCCC1 ZINC001305838247 1069382640 /nfs/dbraw/zinc/38/26/40/1069382640.db2.gz QXDNRIAGNCEKJQ-HBMCJLEFSA-N 1 0 492.665 3.076 20 0 JGADRO CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001305838764 1069383185 /nfs/dbraw/zinc/38/31/85/1069383185.db2.gz WQCAROJAVWCMBV-QHAWAJNXSA-N 1 0 476.666 3.350 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1)OC ZINC001305839669 1069385965 /nfs/dbraw/zinc/38/59/65/1069385965.db2.gz ZOMHEBGIPGTYNJ-VXKWHMMOSA-N 1 0 461.054 3.164 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001305840202 1069387397 /nfs/dbraw/zinc/38/73/97/1069387397.db2.gz YOVQQYNQLDCOHO-WOZUAGRISA-N 1 0 492.665 3.075 20 0 JGADRO CC[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1)[NH+]1CCCC1 ZINC001305840393 1069387549 /nfs/dbraw/zinc/38/75/49/1069387549.db2.gz HMVBETPTAGTRLG-JOCHJYFZSA-N 1 0 473.687 3.455 20 0 JGADRO CC[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)C)[NH+]1CCCC1 ZINC001305841864 1069390106 /nfs/dbraw/zinc/39/01/06/1069390106.db2.gz GFSKCWIEDAWYOO-HXUWFJFHSA-N 1 0 451.619 3.185 20 0 JGADRO CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305842108 1069390545 /nfs/dbraw/zinc/39/05/45/1069390545.db2.gz SGNIPQBOERLJHK-NNWRFLSQSA-N 1 0 483.661 3.488 20 0 JGADRO CC[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1)[NH+]1CCCC1 ZINC001305842856 1069392292 /nfs/dbraw/zinc/39/22/92/1069392292.db2.gz CHFPQXFCVQMQRW-QFIPXVFZSA-N 1 0 454.619 3.216 20 0 JGADRO CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCCC1 ZINC001305845321 1069394868 /nfs/dbraw/zinc/39/48/68/1069394868.db2.gz BZDSLBZJVIMBOL-QZTJIDSGSA-N 1 0 460.648 3.148 20 0 JGADRO CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH2+]C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001305847916 1069398059 /nfs/dbraw/zinc/39/80/59/1069398059.db2.gz WNVUTEWGRNYBDG-FQEVSTJZSA-N 1 0 488.681 3.410 20 0 JGADRO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)OC ZINC001305849942 1069402291 /nfs/dbraw/zinc/40/22/91/1069402291.db2.gz WFGOSHXLSLJAOH-JOCHJYFZSA-N 1 0 467.618 3.036 20 0 JGADRO CC[C@H](Cn1c(N2CC[NH+](C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)NC(=O)OC(C)(C)C ZINC001305850897 1069404145 /nfs/dbraw/zinc/40/41/45/1069404145.db2.gz VIWQAYHNGLJBNT-CJFMBICVSA-N 1 0 494.681 3.152 20 0 JGADRO CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001305851354 1069405275 /nfs/dbraw/zinc/40/52/75/1069405275.db2.gz GTTZPKJXJRAWJO-UHFFFAOYSA-N 1 0 484.689 3.500 20 0 JGADRO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)O1 ZINC001305858208 1069413330 /nfs/dbraw/zinc/41/33/30/1069413330.db2.gz CIWRNAYOBSFGSC-AZSVPQILSA-N 1 0 490.737 3.446 20 0 JGADRO CCC(O)(CC)Cn1c(N2CC[NH+](C3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305859279 1069415161 /nfs/dbraw/zinc/41/51/61/1069415161.db2.gz WARKFLOUQQTHAK-RUZDIDTESA-N 1 0 463.667 3.325 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001305883410 1069437546 /nfs/dbraw/zinc/43/75/46/1069437546.db2.gz GUAYQJBFGVAADF-VWLOTQADSA-N 1 0 487.645 3.203 20 0 JGADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001305883004 1069436283 /nfs/dbraw/zinc/43/62/83/1069436283.db2.gz QAJGEELSDQZZCV-YDIMBITNSA-N 1 0 455.607 3.051 20 0 JGADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001305885039 1069440684 /nfs/dbraw/zinc/44/06/84/1069440684.db2.gz ZVVIROJYBWLVFR-NTKDMRAZSA-N 1 0 455.607 3.053 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001305886097 1069441748 /nfs/dbraw/zinc/44/17/48/1069441748.db2.gz PYAXKVWUDVZXKZ-XLIONFOSSA-N 1 0 451.413 3.381 20 0 JGADRO CCC1(CC)CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(O)CC2)CCS1 ZINC001305897060 1069453957 /nfs/dbraw/zinc/45/39/57/1069453957.db2.gz IHEWLNXOKYYNJC-IBGZPJMESA-N 1 0 451.681 3.131 20 0 JGADRO CCc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC001305915301 1069470313 /nfs/dbraw/zinc/47/03/13/1069470313.db2.gz AKWGVOABPSNSEX-GMAHTHKFSA-N 1 0 468.646 3.129 20 0 JGADRO CCc1ccc([C@@H](Cn2c(N3CCC(NS(=O)(=O)CC)CC3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001305919198 1069474640 /nfs/dbraw/zinc/47/46/40/1069474640.db2.gz IRGRSFRSJOOQBH-JOCHJYFZSA-N 1 0 490.718 3.349 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](CC(N)=O)C2)[NH+](C)C)cc1 ZINC001305919256 1069474756 /nfs/dbraw/zinc/47/47/56/1069474756.db2.gz OBUAWMSEKJQSGN-AKIFATBCSA-N 1 0 468.646 3.477 20 0 JGADRO CCc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ncc(Cl)n2C)[NH+](C)C)cc1 ZINC001305920173 1069475240 /nfs/dbraw/zinc/47/52/40/1069475240.db2.gz ROSUKANZSXZWDH-HXUWFJFHSA-N 1 0 499.063 3.289 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(=O)OC)C2)[NH+](C)C)cc1 ZINC001305921642 1069477426 /nfs/dbraw/zinc/47/74/26/1069477426.db2.gz VJGVIUYBKOQCRN-FDFHNCONSA-N 1 0 455.603 3.384 20 0 JGADRO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001298212490 1064129263 /nfs/dbraw/zinc/12/92/63/1064129263.db2.gz RHRIAUIKWVGPKO-JOCHJYFZSA-N 1 0 468.646 3.167 20 0 JGADRO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2ccccc2F)n1CC(C)(C)C[NH+]1CCCC1 ZINC001298214915 1064130857 /nfs/dbraw/zinc/13/08/57/1064130857.db2.gz VHEXUBYHTWUQEP-UHFFFAOYSA-N 1 0 458.626 3.481 20 0 JGADRO CN(CC(=O)NC(C)(C)C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC(C)(F)F ZINC001298218758 1064132575 /nfs/dbraw/zinc/13/25/75/1064132575.db2.gz PFCWDEWJNUTFSZ-UHFFFAOYSA-N 1 0 491.631 3.039 20 0 JGADRO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(C2CCC2)n1CCCC[NH+]1CCOCC1 ZINC001298222399 1064136691 /nfs/dbraw/zinc/13/66/91/1064136691.db2.gz PFTGHKNKZPKZKQ-UHFFFAOYSA-N 1 0 461.010 3.386 20 0 JGADRO CN(CC(F)(F)F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001298240885 1064146522 /nfs/dbraw/zinc/14/65/22/1064146522.db2.gz RIPNBEBBMQAILV-LJQANCHMSA-N 1 0 487.530 3.489 20 0 JGADRO CN(CC(F)(F)F)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001298243123 1064147528 /nfs/dbraw/zinc/14/75/28/1064147528.db2.gz KZBXIKJJGUVDIK-KRWDZBQOSA-N 1 0 463.512 3.040 20 0 JGADRO CN(CC(F)(F)F)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001298245633 1064148892 /nfs/dbraw/zinc/14/88/92/1064148892.db2.gz XMTYZXZYTQKCIH-OAHLLOKOSA-N 1 0 485.536 3.133 20 0 JGADRO CN(CC(F)(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCCO1 ZINC001298252707 1064152219 /nfs/dbraw/zinc/15/22/19/1064152219.db2.gz TURMMZGBTAHQQG-FQEVSTJZSA-N 1 0 466.552 3.210 20 0 JGADRO CN(CC(F)(F)F)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001298254161 1064153237 /nfs/dbraw/zinc/15/32/37/1064153237.db2.gz DSZZAEGIRBSHDZ-GASCZTMLSA-N 1 0 478.585 3.096 20 0 JGADRO COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001298261866 1064156752 /nfs/dbraw/zinc/15/67/52/1064156752.db2.gz DJPOPAOKPQOCFC-HRLGVUPISA-N 1 0 453.377 3.251 20 0 JGADRO CN(Cc1cc(Cl)ccn1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001298261624 1064156816 /nfs/dbraw/zinc/15/68/16/1064156816.db2.gz KEMQCVSCVOLEGA-OAQYLSRUSA-N 1 0 489.045 3.374 20 0 JGADRO CN(Cc1ccc(Br)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001298274647 1064165089 /nfs/dbraw/zinc/16/50/89/1064165089.db2.gz KBUMFOSZOXMVNN-FPOVZHCZSA-N 1 0 492.462 3.418 20 0 JGADRO CN(Cc1ccc(Br)cc1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001298274646 1064165131 /nfs/dbraw/zinc/16/51/31/1064165131.db2.gz KBUMFOSZOXMVNN-CTNGQTDRSA-N 1 0 492.462 3.418 20 0 JGADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001298281088 1064167761 /nfs/dbraw/zinc/16/77/61/1064167761.db2.gz LQRWQYVGTHAYPF-MRXNPFEDSA-N 1 0 479.423 3.343 20 0 JGADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCOC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001298281974 1064168421 /nfs/dbraw/zinc/16/84/21/1064168421.db2.gz PXYKOYZMAVIFGE-DLBZAZTESA-N 1 0 482.423 3.011 20 0 JGADRO CN(Cc1ccc(F)c(Cl)c1)c1nnc(C(=O)N2CCCC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001298302796 1064183130 /nfs/dbraw/zinc/18/31/30/1064183130.db2.gz HAVXINCXDJOHSS-IBGZPJMESA-N 1 0 493.027 3.180 20 0 JGADRO CN(Cc1ccc(F)cc1F)c1nnc(CNC(=O)c2cccs2)n1CC[NH+]1CCSCC1 ZINC001298312506 1064187962 /nfs/dbraw/zinc/18/79/62/1064187962.db2.gz KJLMRAQXOHKMLO-UHFFFAOYSA-N 1 0 492.621 3.233 20 0 JGADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001298316390 1064191022 /nfs/dbraw/zinc/19/10/22/1064191022.db2.gz BUDXRJZEHQEVBJ-HSZRJFAPSA-N 1 0 499.685 3.229 20 0 JGADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(-c2cccnc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001298316896 1064191917 /nfs/dbraw/zinc/19/19/17/1064191917.db2.gz JFEHUNSJRAJATC-NRFANRHFSA-N 1 0 480.594 3.276 20 0 JGADRO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001298317834 1064193499 /nfs/dbraw/zinc/19/34/99/1064193499.db2.gz BONYXWFTKUDPIR-LJQANCHMSA-N 1 0 458.971 3.018 20 0 JGADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc(-c2cnccn2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001298318845 1064194438 /nfs/dbraw/zinc/19/44/38/1064194438.db2.gz DBIQLTAFKWMISV-PPGPUPIYSA-N 1 0 481.651 3.473 20 0 JGADRO C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001298329340 1064204789 /nfs/dbraw/zinc/20/47/89/1064204789.db2.gz ZKQHQBFGPOHAJN-APWZRJJASA-N 1 0 458.384 3.213 20 0 JGADRO CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298330608 1064205735 /nfs/dbraw/zinc/20/57/35/1064205735.db2.gz DTIHLXDMSPZXFL-HXUWFJFHSA-N 1 0 461.054 3.488 20 0 JGADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](CO)Cc2ccccc21 ZINC001298335462 1064207913 /nfs/dbraw/zinc/20/79/13/1064207913.db2.gz YXHQAZJQTHVNRC-RBBKRZOGSA-N 1 0 453.583 3.210 20 0 JGADRO CN(Cc1cccc(Cl)c1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001298337716 1064207971 /nfs/dbraw/zinc/20/79/71/1064207971.db2.gz NKBMQIJGECFDKO-JOCHJYFZSA-N 1 0 455.006 3.401 20 0 JGADRO CN(Cc1cccc(OC(F)F)c1)c1nnc(-c2cnn(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298343351 1064211412 /nfs/dbraw/zinc/21/14/12/1064211412.db2.gz VEMSDSXZECHHJO-JOCHJYFZSA-N 1 0 477.585 3.354 20 0 JGADRO 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CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1 ZINC001298379075 1064226003 /nfs/dbraw/zinc/22/60/03/1064226003.db2.gz YYJAVCASKDTOIE-JOCHJYFZSA-N 1 0 459.612 3.316 20 0 JGADRO O=C(Cc1ccccc1)NCC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001298397063 1064232724 /nfs/dbraw/zinc/23/27/24/1064232724.db2.gz UNZPKCYDYOFLGP-AREMUKBSSA-N 1 0 456.590 3.434 20 0 JGADRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(CC2CCCC2)n1CC[NH+]1CCSCC1 ZINC001298399238 1064234154 /nfs/dbraw/zinc/23/41/54/1064234154.db2.gz FTCDMDLXKVHDIK-UHFFFAOYSA-N 1 0 471.597 3.448 20 0 JGADRO CN(Cc1cnccn1)c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCCC1 ZINC001298406791 1064238127 /nfs/dbraw/zinc/23/81/27/1064238127.db2.gz LEYNASFXPZCZQO-UHFFFAOYSA-N 1 0 460.355 3.369 20 0 JGADRO CN(Cc1ccoc1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001298419493 1064243986 /nfs/dbraw/zinc/24/39/86/1064243986.db2.gz XPZVJNNAWZAQCS-WOJBJXKFSA-N 1 0 474.606 3.156 20 0 JGADRO 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467.540 3.043 20 0 JGADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001298705599 1064510094 /nfs/dbraw/zinc/51/00/94/1064510094.db2.gz HSIFVFDNKOGTQE-HXUWFJFHSA-N 1 0 484.649 3.445 20 0 JGADRO CN(CCn1c([C@@H]2CCCCO2)nnc1N1CCC([NH+]2CCCCC2)CC1)CC(F)(F)F ZINC001298707601 1064513542 /nfs/dbraw/zinc/51/35/42/1064513542.db2.gz CUJMVVAAZHSJCU-IBGZPJMESA-N 1 0 458.573 3.469 20 0 JGADRO C[N@H+](CCn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001298711714 1064517596 /nfs/dbraw/zinc/51/75/96/1064517596.db2.gz DIPYWPXUMOEHMT-QFIPXVFZSA-N 1 0 484.645 3.093 20 0 JGADRO CN(CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298712985 1064521212 /nfs/dbraw/zinc/52/12/12/1064521212.db2.gz DKOJDALYQYIFGU-IBGZPJMESA-N 1 0 464.655 3.350 20 0 JGADRO CN(CCn1c(Cc2ccncc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001298713434 1064521340 /nfs/dbraw/zinc/52/13/40/1064521340.db2.gz YBFUJSYSGLTDIY-NRFANRHFSA-N 1 0 469.634 3.195 20 0 JGADRO 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ZINC001298727219 1064536351 /nfs/dbraw/zinc/53/63/51/1064536351.db2.gz BAUHNNUGHJHEDA-KRWDZBQOSA-N 1 0 499.404 3.028 20 0 JGADRO CN(CCn1cccn1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCC1 ZINC001298728419 1064541048 /nfs/dbraw/zinc/54/10/48/1064541048.db2.gz SUINNKWJRJSMOX-IBGZPJMESA-N 1 0 472.638 3.167 20 0 JGADRO CN(CCN1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001298732562 1064547214 /nfs/dbraw/zinc/54/72/14/1064547214.db2.gz AHJAHRKLANEOHW-FCHUYYIVSA-N 1 0 462.683 3.187 20 0 JGADRO CN(CCN1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1CC[NH+]1CCCCCC1 ZINC001298732825 1064547698 /nfs/dbraw/zinc/54/76/98/1064547698.db2.gz FPXLJDZVCCLBSA-UHFFFAOYSA-N 1 0 488.652 3.419 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001298750258 1064561152 /nfs/dbraw/zinc/56/11/52/1064561152.db2.gz RSVHUCWZIGACEU-VXKWHMMOSA-N 1 0 468.646 3.045 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C[NH+]1CCCC1 ZINC001298750538 1064561645 /nfs/dbraw/zinc/56/16/45/1064561645.db2.gz WYTHXIRSDGNMOZ-UHFFFAOYSA-N 1 0 460.623 3.379 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298752371 1064562238 /nfs/dbraw/zinc/56/22/38/1064562238.db2.gz AVAPUKNFLHIOKA-HSZRJFAPSA-N 1 0 461.632 3.362 20 0 JGADRO CN(CCOc1ccc(Cl)cc1)c1nnc(CN2CCCC2=O)n1CC1([NH+](C)C)CCCC1 ZINC001298757176 1064566611 /nfs/dbraw/zinc/56/66/11/1064566611.db2.gz XKTFZYJALCDXNP-UHFFFAOYSA-N 1 0 475.037 3.444 20 0 JGADRO CN(CCOc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001298760095 1064567762 /nfs/dbraw/zinc/56/77/62/1064567762.db2.gz JOEQPBIUPGVSEM-VXKWHMMOSA-N 1 0 472.609 3.394 20 0 JGADRO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001298775733 1064581596 /nfs/dbraw/zinc/58/15/96/1064581596.db2.gz SMXBUNGXVGLJPN-HXUWFJFHSA-N 1 0 489.045 3.311 20 0 JGADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2cccn2C)n1CCOC(C)(C)C ZINC001298781666 1064585364 /nfs/dbraw/zinc/58/53/64/1064585364.db2.gz FKQOKRTVPIZVLG-SIKLNZKXSA-N 1 0 468.650 3.352 20 0 JGADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(Cc2ccccn2)n1CCOC(C)(C)C ZINC001298782571 1064586853 /nfs/dbraw/zinc/58/68/53/1064586853.db2.gz XZIYLYRAALXEHS-GBXCKJPGSA-N 1 0 480.661 3.332 20 0 JGADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2cccn2C)n1CC(F)(F)F ZINC001298782594 1064587591 /nfs/dbraw/zinc/58/75/91/1064587591.db2.gz ZCHVPMXLSQWMMW-MAUKXSAKSA-N 1 0 450.513 3.099 20 0 JGADRO CN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298784079 1064588388 /nfs/dbraw/zinc/58/83/88/1064588388.db2.gz LQTDWRJCLKUZGY-DNVCBOLYSA-N 1 0 469.453 3.088 20 0 JGADRO CN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298784078 1064588436 /nfs/dbraw/zinc/58/84/36/1064588436.db2.gz LQTDWRJCLKUZGY-BEFAXECRSA-N 1 0 469.453 3.088 20 0 JGADRO CN(OC1CCCC1)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001298790044 1064591274 /nfs/dbraw/zinc/59/12/74/1064591274.db2.gz JQAFSUVUBNOTEG-KRWDZBQOSA-N 1 0 481.439 3.203 20 0 JGADRO CN(OC1CCCC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CC=CCC1 ZINC001298793662 1064592969 /nfs/dbraw/zinc/59/29/69/1064592969.db2.gz WDWYHOVYBBKVFG-HXUWFJFHSA-N 1 0 476.622 3.159 20 0 JGADRO CN(OC1CCCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001298796450 1064593839 /nfs/dbraw/zinc/59/38/39/1064593839.db2.gz IWPBCSONMWOZEO-KDURUIRLSA-N 1 0 492.665 3.470 20 0 JGADRO Cn1cc(Br)cc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@]1(C)COCCO1 ZINC001298801140 1064598091 /nfs/dbraw/zinc/59/80/91/1064598091.db2.gz GTQKEDGVNYNKAP-JOCHJYFZSA-N 1 0 495.466 3.162 20 0 JGADRO Cn1cc(Br)cc1-c1nnc(N2CCOCC2)n1CCCCC[NH+]1CCCC1 ZINC001298801749 1064599335 /nfs/dbraw/zinc/59/93/35/1064599335.db2.gz OQJVTGUWNUMBFT-UHFFFAOYSA-N 1 0 451.413 3.149 20 0 JGADRO Cn1cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCc2ccccc2OC(F)F)cn1 ZINC001298818590 1064620981 /nfs/dbraw/zinc/62/09/81/1064620981.db2.gz SZONXTINJJZHDT-UHFFFAOYSA-N 1 0 459.545 3.443 20 0 JGADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(-c4ccccc4F)n3CCNC(=O)OC(C)(C)C)CC2)cn1 ZINC001298828344 1064632127 /nfs/dbraw/zinc/63/21/27/1064632127.db2.gz OSALSPYWUJATDH-UHFFFAOYSA-N 1 0 498.607 3.055 20 0 JGADRO Cn1cccc1-c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001298853143 1064655728 /nfs/dbraw/zinc/65/57/28/1064655728.db2.gz XIEWPTZKEOBUMQ-HNNXBMFYSA-N 1 0 494.484 3.452 20 0 JGADRO Cn1cccc1-c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001298861650 1064664834 /nfs/dbraw/zinc/66/48/34/1064664834.db2.gz MEIYBJNAPSPSIV-UHFFFAOYSA-N 1 0 457.623 3.261 20 0 JGADRO Cn1cccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001298861257 1064664881 /nfs/dbraw/zinc/66/48/81/1064664881.db2.gz JQQZNSGIUMSOSZ-NRFANRHFSA-N 1 0 495.647 3.325 20 0 JGADRO Cn1cccc1-c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCSCC(F)(F)F ZINC001298862954 1064667119 /nfs/dbraw/zinc/66/71/19/1064667119.db2.gz YMLROUIQCGIRCD-HXUWFJFHSA-N 1 0 494.587 3.435 20 0 JGADRO CN(CCOc1cccc(Cl)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298880302 1064685897 /nfs/dbraw/zinc/68/58/97/1064685897.db2.gz UVADJKKFRYBWJW-JOCHJYFZSA-N 1 0 477.396 3.229 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298880933 1064686780 /nfs/dbraw/zinc/68/67/80/1064686780.db2.gz YEAFKVDPAMCNBD-CYFREDJKSA-N 1 0 491.036 3.159 20 0 JGADRO CN(C[C@H]1CCCOC1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298881226 1064687552 /nfs/dbraw/zinc/68/75/52/1064687552.db2.gz DIODNUFKUKXAAS-VGSWGCGISA-N 1 0 466.051 3.153 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001298881771 1064687588 /nfs/dbraw/zinc/68/75/88/1064687588.db2.gz KHQQFADAKNUJJO-ATIYNZHBSA-N 1 0 455.647 3.304 20 0 JGADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298881483 1064687601 /nfs/dbraw/zinc/68/76/01/1064687601.db2.gz GIWWBRJOHIAKBC-FQEVSTJZSA-N 1 0 484.523 3.186 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCCC(C)(C)C2)C1 ZINC001298881947 1064688512 /nfs/dbraw/zinc/68/85/12/1064688512.db2.gz NENCUYVVTORZSX-RUZDIDTESA-N 1 0 476.666 3.086 20 0 JGADRO CN(CCC1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298882029 1064688639 /nfs/dbraw/zinc/68/86/39/1064688639.db2.gz OMYZJVCMYQYIER-HHHXNRCGSA-N 1 0 485.673 3.474 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N2CCCC(C)(C)C2)C1 ZINC001298881948 1064688716 /nfs/dbraw/zinc/68/87/16/1064688716.db2.gz NENCUYVVTORZSX-VWLOTQADSA-N 1 0 476.666 3.086 20 0 JGADRO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298882147 1064688743 /nfs/dbraw/zinc/68/87/43/1064688743.db2.gz QIWQJHOHWNONPM-GHTZIAJQSA-N 1 0 453.509 3.242 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCCCO)C1CC1 ZINC001298884852 1064690971 /nfs/dbraw/zinc/69/09/71/1064690971.db2.gz FMDJMPNFCJKBLO-QFIPXVFZSA-N 1 0 489.686 3.210 20 0 JGADRO C[C@H]1[C@H](NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC001298884944 1064690992 /nfs/dbraw/zinc/69/09/92/1064690992.db2.gz CLKJDYHMRJVMNE-YADARESESA-N 1 0 451.592 3.287 20 0 JGADRO C[C@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC[N@@H+]1Cc1ccccc1 ZINC001298884940 1064691038 /nfs/dbraw/zinc/69/10/38/1064691038.db2.gz CLKJDYHMRJVMNE-CYFREDJKSA-N 1 0 451.592 3.287 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccncc2)nnc1N(CCO)CCc1ccccc1 ZINC001298886152 1064692905 /nfs/dbraw/zinc/69/29/05/1064692905.db2.gz DJUDBUYPQBDFKZ-DEOSSOPVSA-N 1 0 462.642 3.426 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001298886726 1064694935 /nfs/dbraw/zinc/69/49/35/1064694935.db2.gz RQCABTLSAMNVBD-WCLQXYBISA-N 1 0 459.557 3.042 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001298886403 1064694967 /nfs/dbraw/zinc/69/49/67/1064694967.db2.gz GGFXCKWTCCEELA-VXQVSLNISA-N 1 0 460.667 3.019 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001298886723 1064695055 /nfs/dbraw/zinc/69/50/55/1064695055.db2.gz RQCABTLSAMNVBD-BIZBXSGISA-N 1 0 459.557 3.042 20 0 JGADRO CN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCCCC2)CC1=O ZINC001298887000 1064695989 /nfs/dbraw/zinc/69/59/89/1064695989.db2.gz ISGOYVDNHPRDNV-UHFFFAOYSA-N 1 0 475.435 3.251 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C ZINC001298890018 1064699310 /nfs/dbraw/zinc/69/93/10/1064699310.db2.gz YSMBHJSTDJHSAY-CVEARBPZSA-N 1 0 458.573 3.201 20 0 JGADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001298889731 1064699468 /nfs/dbraw/zinc/69/94/68/1064699468.db2.gz VNAWDVSPWFFMDX-GOSISDBHSA-N 1 0 494.562 3.107 20 0 JGADRO CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCCC[NH+]2CCCC2)CC1=O ZINC001298890799 1064700897 /nfs/dbraw/zinc/70/08/97/1064700897.db2.gz MFBIMKRJBAGAPW-UHFFFAOYSA-N 1 0 493.425 3.391 20 0 JGADRO C[N@@H+]1CCN(CCn2c(-c3ccc(Br)cc3)nnc2N2CCSCC2)CC1(C)C ZINC001298896342 1064702624 /nfs/dbraw/zinc/70/26/24/1064702624.db2.gz HMHCYKCXSGMSCV-UHFFFAOYSA-N 1 0 479.492 3.287 20 0 JGADRO CCCN(CC[NH+]1CCCCCC1)C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC001298896616 1064702837 /nfs/dbraw/zinc/70/28/37/1064702837.db2.gz MGKRJCXFJMCWKT-UHFFFAOYSA-N 1 0 459.631 3.483 20 0 JGADRO C[N@@H+]1CCN(CCn2c([C@H]3CCCO3)nnc2N(CCC(F)(F)F)CC2CC2)CC1(C)C ZINC001298903412 1064708213 /nfs/dbraw/zinc/70/82/13/1064708213.db2.gz POBYBGZHGWVWRM-GOSISDBHSA-N 1 0 458.573 3.324 20 0 JGADRO C[N@@H+]1CCN(CCn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903411 1064708261 /nfs/dbraw/zinc/70/82/61/1064708261.db2.gz PNKTUNBJUFRDIV-OAQYLSRUSA-N 1 0 476.616 3.458 20 0 JGADRO CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)C1 ZINC001298910885 1064712692 /nfs/dbraw/zinc/71/26/92/1064712692.db2.gz ZPNQMAGXXIITCE-GOTSBHOMSA-N 1 0 456.631 3.195 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001298914677 1064714228 /nfs/dbraw/zinc/71/42/28/1064714228.db2.gz AVUGRSOZHPQHPE-UHFFFAOYSA-N 1 0 463.630 3.352 20 0 JGADRO CNC(=O)C(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001298918013 1064719976 /nfs/dbraw/zinc/71/99/76/1064719976.db2.gz ZDHPQWQJVQLTJR-ROUUACIJSA-N 1 0 458.582 3.004 20 0 JGADRO CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)=NO2 ZINC001298926317 1064725608 /nfs/dbraw/zinc/72/56/08/1064725608.db2.gz QQSINTMMPZFYJA-HXUWFJFHSA-N 1 0 456.587 3.171 20 0 JGADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001298926627 1064725876 /nfs/dbraw/zinc/72/58/76/1064725876.db2.gz SRFMJTHWRHHWJB-IBGZPJMESA-N 1 0 459.587 3.299 20 0 JGADRO COCCCN(C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)C1CC[NH+](C)CC1 ZINC001298926926 1064726445 /nfs/dbraw/zinc/72/64/45/1064726445.db2.gz WOKBEZCYMIIZNK-UHFFFAOYSA-N 1 0 459.612 3.369 20 0 JGADRO 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JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001299000066 1064779505 /nfs/dbraw/zinc/77/95/05/1064779505.db2.gz GKNQKSXARRKAAU-VLCRHTCISA-N 1 0 470.662 3.125 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC[NH+]1CCC(C)CC1 ZINC001299002124 1064781004 /nfs/dbraw/zinc/78/10/04/1064781004.db2.gz LVWWFSJXLMEBAM-OAQYLSRUSA-N 1 0 456.635 3.024 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001299002761 1064782345 /nfs/dbraw/zinc/78/23/45/1064782345.db2.gz NLDLJZUVSPNYCR-UXHICEINSA-N 1 0 458.676 3.429 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001299004288 1064784987 /nfs/dbraw/zinc/78/49/87/1064784987.db2.gz BZOPZPNWEHIHFU-NVQXNPDNSA-N 1 0 468.646 3.427 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCC2)C1 ZINC001299004344 1064785446 /nfs/dbraw/zinc/78/54/46/1064785446.db2.gz BNHHDWGRTZBYHQ-KOSHJBKYSA-N 1 0 472.609 3.394 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001299005526 1064787980 /nfs/dbraw/zinc/78/79/80/1064787980.db2.gz JLJXATAVQNUUCV-UZUQRXQVSA-N 1 0 489.462 3.402 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+](C)C(C)C)C1 ZINC001299007295 1064789899 /nfs/dbraw/zinc/78/98/99/1064789899.db2.gz RKGPYDAIDPDRFF-NRFANRHFSA-N 1 0 481.414 3.149 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001299007850 1064791543 /nfs/dbraw/zinc/79/15/43/1064791543.db2.gz UZOFMOQKSPDNFN-DEOSSOPVSA-N 1 0 476.572 3.385 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001299015435 1064798419 /nfs/dbraw/zinc/79/84/19/1064798419.db2.gz HWQLESAHUXMDSX-VWLOTQADSA-N 1 0 454.619 3.181 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001299015446 1064798605 /nfs/dbraw/zinc/79/86/05/1064798605.db2.gz QTRATSTUZMOMCL-NTKDMRAZSA-N 1 0 474.053 3.466 20 0 JGADRO 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JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299029447 1064815176 /nfs/dbraw/zinc/81/51/76/1064815176.db2.gz PPUJOEWPJBETLG-UYXZNNOOSA-N 1 0 488.627 3.478 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001299029953 1064815954 /nfs/dbraw/zinc/81/59/54/1064815954.db2.gz RLNIISDEBFMPOB-MHZLTWQESA-N 1 0 482.673 3.495 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@H+](C)C(C)C)C1 ZINC001299034049 1064822963 /nfs/dbraw/zinc/82/29/63/1064822963.db2.gz QTSKVCKXVOEDHA-VWLOTQADSA-N 1 0 456.635 3.167 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001299034615 1064824465 /nfs/dbraw/zinc/82/44/65/1064824465.db2.gz XHPREFMISADEHD-VWLOTQADSA-N 1 0 454.619 3.002 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001299034710 1064824483 /nfs/dbraw/zinc/82/44/83/1064824483.db2.gz YWYXQAZQFGQUBG-IBVKSMDESA-N 1 0 468.646 3.168 20 0 JGADRO 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COc1cc(OC)cc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCCOC(F)(F)F)c1 ZINC001299953516 1065234492 /nfs/dbraw/zinc/23/44/92/1065234492.db2.gz ZLLOMAKXKKUHKX-GOSISDBHSA-N 1 0 499.534 3.190 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001299959079 1065238266 /nfs/dbraw/zinc/23/82/66/1065238266.db2.gz YYGDFOMHPGRYOT-MOPGFXCFSA-N 1 0 491.658 3.230 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001299959082 1065238834 /nfs/dbraw/zinc/23/88/34/1065238834.db2.gz YYGDFOMHPGRYOT-RTBURBONSA-N 1 0 491.658 3.230 20 0 JGADRO COc1cc(OC)cc(N2CCCN(c3nnc([C@H]4CCCO4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001299960257 1065241683 /nfs/dbraw/zinc/24/16/83/1065241683.db2.gz SIXMJRTXPLTBLQ-HSZRJFAPSA-N 1 0 486.661 3.451 20 0 JGADRO COc1cc2c(cc1OC)CN(c1nnc(CC(C)(C)C)n1CC[NH+]1CCSCC1)CC2 ZINC001299961116 1065242845 /nfs/dbraw/zinc/24/28/45/1065242845.db2.gz BSZSFGIVZFCVMB-UHFFFAOYSA-N 1 0 459.660 3.495 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)[C@@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001299968062 1065251009 /nfs/dbraw/zinc/25/10/09/1065251009.db2.gz YVGLKAZVSLXMLW-VFNWGFHPSA-N 1 0 496.475 3.379 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)C[C@H]3CCOC3)n2CC[N@H+]2CC=CCC2)c1 ZINC001299968320 1065251965 /nfs/dbraw/zinc/25/19/65/1065251965.db2.gz DWYCRFDQUHLDHP-QGZVFWFLSA-N 1 0 476.419 3.451 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2C[C@H](C)OC)c1 ZINC001299974594 1065265583 /nfs/dbraw/zinc/26/55/83/1065265583.db2.gz XFNACPFFNJMSEF-HNNXBMFYSA-N 1 0 464.408 3.426 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCCO[C@@H](C)C3)n2CC[NH+]2CCSCC2)c1 ZINC001299974939 1065267291 /nfs/dbraw/zinc/26/72/91/1065267291.db2.gz IZNHSPHRMCUPSN-INIZCTEOSA-N 1 0 496.475 3.380 20 0 JGADRO COc1ccc(Br)c(CN(C)c2nnc(C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001299975038 1065267910 /nfs/dbraw/zinc/26/79/10/1065267910.db2.gz FYZSLVJFRJHDPT-HZPDHXFCSA-N 1 0 466.424 3.493 20 0 JGADRO COc1ccc([C@H](C)CCn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC001299980402 1065279644 /nfs/dbraw/zinc/27/96/44/1065279644.db2.gz JOKFMVQKFRUHRQ-OAQYLSRUSA-N 1 0 498.672 3.167 20 0 JGADRO COc1ccc([C@@H](C)CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001299985302 1065287138 /nfs/dbraw/zinc/28/71/38/1065287138.db2.gz VHXDZHDUPCSAEN-UNMCSNQZSA-N 1 0 489.686 3.303 20 0 JGADRO COc1ccc([C@@H](C)N(C)c2nnc(CN3CCCC3=O)n2CC2(SC)CC[NH+](C)CC2)cc1 ZINC001299986515 1065288596 /nfs/dbraw/zinc/28/85/96/1065288596.db2.gz FVNNHAHGUUQOFU-LJQANCHMSA-N 1 0 486.686 3.434 20 0 JGADRO COc1ccc([C@H](Cn2c(CC(C)C)nnc2N2C[C@@H](OC)[C@@H](OC)C2)[NH+]2CCCC2)cc1 ZINC001299987424 1065289797 /nfs/dbraw/zinc/28/97/97/1065289797.db2.gz CIYLPOUBODSNMY-RJGXRXQPSA-N 1 0 457.619 3.172 20 0 JGADRO COc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CCCN(C(C)=O)CC2)[NH+]2CCCC2)cc1 ZINC001299988731 1065292008 /nfs/dbraw/zinc/29/20/08/1065292008.db2.gz VIEJXIUENFMSQM-DEOSSOPVSA-N 1 0 468.646 3.381 20 0 JGADRO COc1ccc([C@@H](Cn2c(-c3ccc(C)o3)nnc2N(C)[C@H](C)CC(N)=O)[NH+]2CCCC2)cc1 ZINC001299988500 1065292017 /nfs/dbraw/zinc/29/20/17/1065292017.db2.gz OJTLJWSCZGYPBM-DYESRHJHSA-N 1 0 466.586 3.392 20 0 JGADRO COc1ccc(C)cc1CN1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)C(C)C)CC1 ZINC001299989960 1065293189 /nfs/dbraw/zinc/29/31/89/1065293189.db2.gz ATLROMJNWNALCX-UHFFFAOYSA-N 1 0 477.657 3.243 20 0 JGADRO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001299996350 1065305138 /nfs/dbraw/zinc/30/51/38/1065305138.db2.gz GDGRYGNKGOXRBG-GOSISDBHSA-N 1 0 472.634 3.045 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@@H]4CCCOC4)n3CC[N@@H+](C)C(C)C)CC2)cc1 ZINC001492205530 1065319422 /nfs/dbraw/zinc/31/94/22/1065319422.db2.gz JTKVMEGGOBMLMK-XMMPIXPASA-N 1 0 482.673 3.354 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001492205739 1065320121 /nfs/dbraw/zinc/32/01/21/1065320121.db2.gz MQEZTYMHTKLKQO-UHFFFAOYSA-N 1 0 496.700 3.478 20 0 JGADRO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001492205839 1065320217 /nfs/dbraw/zinc/32/02/17/1065320217.db2.gz PDJFQYWHAPQLLE-XMMPIXPASA-N 1 0 474.650 3.004 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(Cc4ccccn4)n3C[C@@H](C)[NH+](C)C)CC2)cc1F ZINC001492206167 1065320828 /nfs/dbraw/zinc/32/08/28/1065320828.db2.gz UWKYBZNFMXYMKJ-HXUWFJFHSA-N 1 0 493.631 3.194 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492208048 1065322234 /nfs/dbraw/zinc/32/22/34/1065322234.db2.gz ISQNRSAIKFZJGC-MOPGFXCFSA-N 1 0 480.654 3.093 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCOC3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001492211584 1065324352 /nfs/dbraw/zinc/32/43/52/1065324352.db2.gz OWJVXRQUHRTTJB-NRFANRHFSA-N 1 0 458.626 3.140 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001492587860 1065334069 /nfs/dbraw/zinc/33/40/69/1065334069.db2.gz DGZNGVWTDCPENI-BJKOFHAPSA-N 1 0 455.647 3.395 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCOC3)n2CCC[NH+]2CCCCC2)cc1C ZINC001492240245 1065337332 /nfs/dbraw/zinc/33/73/32/1065337332.db2.gz FDKINGWVIIQUNB-NRFANRHFSA-N 1 0 454.619 3.496 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@]4(CCOC4)OC(C)(C)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492243089 1065341525 /nfs/dbraw/zinc/34/15/25/1065341525.db2.gz ALHDFAUWOCDSHR-AREMUKBSSA-N 1 0 484.645 3.262 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492243985 1065342015 /nfs/dbraw/zinc/34/20/15/1065342015.db2.gz JFBJOTRSMJHVQO-JAXLGGSGSA-N 1 0 454.619 3.086 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2([NH+](C)C)CCCCC2)cc1C ZINC001492248104 1065347070 /nfs/dbraw/zinc/34/70/70/1065347070.db2.gz PWJIIABFUFMRRV-VWLOTQADSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001492250400 1065350414 /nfs/dbraw/zinc/35/04/14/1065350414.db2.gz MFWUYYMSQIUDPX-WIYYLYMNSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001492250763 1065351149 /nfs/dbraw/zinc/35/11/49/1065351149.db2.gz RBTRBKXWNDBALU-QUCCMNQESA-N 1 0 454.619 3.229 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001492254733 1065354951 /nfs/dbraw/zinc/35/49/51/1065354951.db2.gz NHARRQWOBBMQKL-YUXAGFNASA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCC[NH+](C(C)C)C(C)C)cc1C ZINC001492255736 1065356252 /nfs/dbraw/zinc/35/62/52/1065356252.db2.gz XKXFYTQHVKALDE-MHZLTWQESA-N 1 0 495.672 3.373 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1C ZINC001492265369 1065357432 /nfs/dbraw/zinc/35/74/32/1065357432.db2.gz HKFJLDXTNPDOAK-NRFANRHFSA-N 1 0 495.672 3.373 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCCCC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492265297 1065357483 /nfs/dbraw/zinc/35/74/83/1065357483.db2.gz GSCIZCQUEKNUGD-HSZRJFAPSA-N 1 0 495.672 3.470 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCCCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492265298 1065357545 /nfs/dbraw/zinc/35/75/45/1065357545.db2.gz GSCIZCQUEKNUGD-QHCPKHFHSA-N 1 0 495.672 3.470 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001492265713 1065358277 /nfs/dbraw/zinc/35/82/77/1065358277.db2.gz DGVSIWWQIYVVTG-HXUWFJFHSA-N 1 0 495.672 3.184 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCc2cnn(C)n2)cc1C ZINC001492265777 1065358937 /nfs/dbraw/zinc/35/89/37/1065358937.db2.gz JHKLKFPSQBTWHQ-UHFFFAOYSA-N 1 0 493.660 3.219 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001492265952 1065359466 /nfs/dbraw/zinc/35/94/66/1065359466.db2.gz LDUWUUILZFBCJL-WIYYLYMNSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCn2ccnn2)cc1C ZINC001492266454 1065361597 /nfs/dbraw/zinc/36/15/97/1065361597.db2.gz MTTVEDHUENVNQC-UHFFFAOYSA-N 1 0 493.660 3.387 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCNC(=O)C2CCC2)cc1C ZINC001492267237 1065363680 /nfs/dbraw/zinc/36/36/80/1065363680.db2.gz QDVYFQXEPKEJGX-UHFFFAOYSA-N 1 0 495.672 3.232 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001492289112 1065364930 /nfs/dbraw/zinc/36/49/30/1065364930.db2.gz SUCWSDFHKJFDGD-OAQYLSRUSA-N 1 0 481.645 3.048 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CC[NH+](C(C)C)C(C)C)C2)nc1 ZINC001492281227 1065374549 /nfs/dbraw/zinc/37/45/49/1065374549.db2.gz OYFWXRFGXXRUDL-FCHUYYIVSA-N 1 0 483.661 3.459 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC4CC4)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001492281924 1065375181 /nfs/dbraw/zinc/37/51/81/1065375181.db2.gz VSSLLKTWFMYLLT-HXUWFJFHSA-N 1 0 453.635 3.377 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001492286321 1065378619 /nfs/dbraw/zinc/37/86/19/1065378619.db2.gz BQKJSPDEYCXYPX-YKSBVNFPSA-N 1 0 472.659 3.340 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001492287191 1065380537 /nfs/dbraw/zinc/38/05/37/1065380537.db2.gz ORJZZSNLFZKFME-OAQYLSRUSA-N 1 0 452.607 3.038 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492288112 1065382586 /nfs/dbraw/zinc/38/25/86/1065382586.db2.gz KLPGZUMCBCNFMT-SBHAEUEKSA-N 1 0 499.660 3.382 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001492288923 1065383359 /nfs/dbraw/zinc/38/33/59/1065383359.db2.gz QHWRDOXKSVTZQF-QFIPXVFZSA-N 1 0 491.640 3.148 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cnn1C ZINC001492319555 1065394607 /nfs/dbraw/zinc/39/46/07/1065394607.db2.gz DCQCJMNJXGYTHZ-XMMPIXPASA-N 1 0 481.645 3.201 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1C ZINC001492321388 1065396017 /nfs/dbraw/zinc/39/60/17/1065396017.db2.gz ZRBHXUWILXNBPQ-NRFANRHFSA-N 1 0 481.645 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001492339529 1065407576 /nfs/dbraw/zinc/40/75/76/1065407576.db2.gz OOCJKBIXNVYJMB-VXKWHMMOSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001492339980 1065408373 /nfs/dbraw/zinc/40/83/73/1065408373.db2.gz PRLVYOOOVSNSCP-NRFANRHFSA-N 1 0 471.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001492340263 1065408392 /nfs/dbraw/zinc/40/83/92/1065408392.db2.gz RGCVJZKWSYPYGL-SFTDATJTSA-N 1 0 456.635 3.117 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001492289291 1065408976 /nfs/dbraw/zinc/40/89/76/1065408976.db2.gz YZFDIKUYIQHUPR-LJQANCHMSA-N 1 0 495.653 3.137 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001492353831 1065417289 /nfs/dbraw/zinc/41/72/89/1065417289.db2.gz NBGNMQKVXJUARI-QFIPXVFZSA-N 1 0 489.686 3.157 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001492359948 1065421381 /nfs/dbraw/zinc/42/13/81/1065421381.db2.gz OLSDNZNHMJXMBX-UHFFFAOYSA-N 1 0 498.672 3.017 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492370308 1065431884 /nfs/dbraw/zinc/43/18/84/1065431884.db2.gz HQTFPZZWAXROIH-BHIFYINESA-N 1 0 498.672 3.145 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492371606 1065436053 /nfs/dbraw/zinc/43/60/53/1065436053.db2.gz RVKYZVJGFNOFEP-OAQYLSRUSA-N 1 0 468.646 3.392 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372419 1065438041 /nfs/dbraw/zinc/43/80/41/1065438041.db2.gz ZQZHCDZIGSIXPT-YADHBBJMSA-N 1 0 489.686 3.301 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001492377423 1065441367 /nfs/dbraw/zinc/44/13/67/1065441367.db2.gz OVHNKUSVXLSUCN-UHFFFAOYSA-N 1 0 470.662 3.366 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCOCC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492377854 1065442368 /nfs/dbraw/zinc/44/23/68/1065442368.db2.gz WZRCYFNKFAVNAU-HSZRJFAPSA-N 1 0 457.619 3.057 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCS(=O)(=O)CC2CC2)cc1 ZINC001492378160 1065443140 /nfs/dbraw/zinc/44/31/40/1065443140.db2.gz ZZYJDJIXMDZHDN-UHFFFAOYSA-N 1 0 489.686 3.301 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001492385908 1065453858 /nfs/dbraw/zinc/45/38/58/1065453858.db2.gz VTFDXNWAVMFPPD-UHFFFAOYSA-N 1 0 470.662 3.054 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001492340996 1065457253 /nfs/dbraw/zinc/45/72/53/1065457253.db2.gz XPJYQQQUNSXOLC-RXVVDRJESA-N 1 0 497.562 3.168 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001492392592 1065465260 /nfs/dbraw/zinc/46/52/60/1065465260.db2.gz INLICTHEIRVYSY-RBUKOAKNSA-N 1 0 453.509 3.273 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001492393369 1065466002 /nfs/dbraw/zinc/46/60/02/1065466002.db2.gz LOYYFSQZERDLEO-NRFANRHFSA-N 1 0 497.562 3.088 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001492394506 1065467006 /nfs/dbraw/zinc/46/70/06/1065467006.db2.gz OLERRIBTCLKFJV-URXFXBBRSA-N 1 0 459.660 3.464 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001492395491 1065467793 /nfs/dbraw/zinc/46/77/93/1065467793.db2.gz TZTSEJAVPRBCFG-GOSISDBHSA-N 1 0 453.509 3.417 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492401266 1065470874 /nfs/dbraw/zinc/47/08/74/1065470874.db2.gz JBLGDFGFJLSRAW-JOCHJYFZSA-N 1 0 459.660 3.384 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492418304 1065478833 /nfs/dbraw/zinc/47/88/33/1065478833.db2.gz FTYZJVQEONETJI-JOCHJYFZSA-N 1 0 468.646 3.458 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCOc2ccc(C)cc2)n1 ZINC001492431257 1065489011 /nfs/dbraw/zinc/48/90/11/1065489011.db2.gz SKLBUTKCZGXXEF-UHFFFAOYSA-N 1 0 451.619 3.448 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001492447131 1065500990 /nfs/dbraw/zinc/50/09/90/1065500990.db2.gz WWNMCFOYXGWMSO-NRFANRHFSA-N 1 0 498.653 3.070 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CCC3CCOCC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001492449168 1065502464 /nfs/dbraw/zinc/50/24/64/1065502464.db2.gz QXEGMZWDBXWIHK-DEOSSOPVSA-N 1 0 459.660 3.198 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001492461705 1065510342 /nfs/dbraw/zinc/51/03/42/1065510342.db2.gz HJYFVDBHPNUYGF-RBUKOAKNSA-N 1 0 456.660 3.453 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001492462242 1065510910 /nfs/dbraw/zinc/51/09/10/1065510910.db2.gz NJWRHHXIDSDGEE-LJQANCHMSA-N 1 0 456.660 3.455 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001492462241 1065511026 /nfs/dbraw/zinc/51/10/26/1065511026.db2.gz NJWRHHXIDSDGEE-IBGZPJMESA-N 1 0 456.660 3.455 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CC(=O)NC(C)C)cc1 ZINC001492465630 1065512010 /nfs/dbraw/zinc/51/20/10/1065512010.db2.gz FYQUOSUUKHIBHE-HXUWFJFHSA-N 1 0 486.686 3.093 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001492467913 1065515337 /nfs/dbraw/zinc/51/53/37/1065515337.db2.gz PZLWKKDYOAPKHS-UHFFFAOYSA-N 1 0 456.660 3.470 20 0 JGADRO Cc1ccc(SCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC001492469252 1065518094 /nfs/dbraw/zinc/51/80/94/1065518094.db2.gz DZEXCCOBFINZKX-UXHICEINSA-N 1 0 492.715 3.054 20 0 JGADRO Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC001492469611 1065518979 /nfs/dbraw/zinc/51/89/79/1065518979.db2.gz PCKHZCIOWALTQP-UHFFFAOYSA-N 1 0 486.686 3.066 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492470378 1065520102 /nfs/dbraw/zinc/52/01/02/1065520102.db2.gz MLSRODOOTHOBFL-IMWIBFENSA-N 1 0 474.675 3.401 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCOCC2)CC[C@@H]1C ZINC001300797093 1065529298 /nfs/dbraw/zinc/52/92/98/1065529298.db2.gz VVBWZHBZKPUWHL-QFBILLFUSA-N 1 0 495.466 3.018 20 0 JGADRO CO[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC[C@H]1C ZINC001300801006 1065533212 /nfs/dbraw/zinc/53/32/12/1065533212.db2.gz WDYMRLGIDSBHRQ-AUSIDOKSSA-N 1 0 455.647 3.442 20 0 JGADRO CO[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001300801481 1065533228 /nfs/dbraw/zinc/53/32/28/1065533228.db2.gz YTEFIVOAZNFGST-RXVVDRJESA-N 1 0 475.037 3.209 20 0 JGADRO CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)CC[C@H]1C ZINC001300801482 1065533430 /nfs/dbraw/zinc/53/34/30/1065533430.db2.gz YTEFIVOAZNFGST-WIYYLYMNSA-N 1 0 475.037 3.209 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1(C)C ZINC001300835269 1065570831 /nfs/dbraw/zinc/57/08/31/1065570831.db2.gz RCDAKZOMXXELRG-IRFCIJBXSA-N 1 0 456.635 3.013 20 0 JGADRO CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C[NH+]2CCCC2)CC1(C)C ZINC001300841715 1065580252 /nfs/dbraw/zinc/58/02/52/1065580252.db2.gz JKORFMSDSCJPAV-IBGZPJMESA-N 1 0 474.675 3.253 20 0 JGADRO CO[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)(C)C)CC[C@H]1C ZINC001300843050 1065581523 /nfs/dbraw/zinc/58/15/23/1065581523.db2.gz VIWADDPKFCUNKM-ISKFKSNPSA-N 1 0 484.689 3.319 20 0 JGADRO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001300843314 1065581975 /nfs/dbraw/zinc/58/19/75/1065581975.db2.gz PQBDEJVBVLRFLP-PZJWPPBQSA-N 1 0 482.654 3.434 20 0 JGADRO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001300843315 1065582047 /nfs/dbraw/zinc/58/20/47/1065582047.db2.gz PQBDEJVBVLRFLP-TZIWHRDSSA-N 1 0 482.654 3.434 20 0 JGADRO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001300844099 1065584089 /nfs/dbraw/zinc/58/40/89/1065584089.db2.gz QVKPOAZNPKUBCE-WSTZPKSXSA-N 1 0 474.675 3.251 20 0 JGADRO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001300845703 1065587855 /nfs/dbraw/zinc/58/78/55/1065587855.db2.gz VMWZVYGHSNZNKS-PKOBYXMFSA-N 1 0 460.648 3.005 20 0 JGADRO CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300857280 1065609764 /nfs/dbraw/zinc/60/97/64/1065609764.db2.gz XGNGKTLWGHDYLS-QUCCMNQESA-N 1 0 465.545 3.128 20 0 JGADRO CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300857282 1065609832 /nfs/dbraw/zinc/60/98/32/1065609832.db2.gz XGNGKTLWGHDYLS-UYAOXDASSA-N 1 0 465.545 3.128 20 0 JGADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCOC[C@H]3c3cccc(Br)c3)c2)CC1 ZINC001300860961 1065618326 /nfs/dbraw/zinc/61/83/26/1065618326.db2.gz RTOZVICLNXUILY-QFIPXVFZSA-N 1 0 458.400 3.410 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001300880243 1065663739 /nfs/dbraw/zinc/66/37/39/1065663739.db2.gz JAFVGPXAZHXQKS-HXUWFJFHSA-N 1 0 487.004 3.098 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+](C)C(C)C)CC1 ZINC001300904055 1065702762 /nfs/dbraw/zinc/70/27/62/1065702762.db2.gz DDLKXWOIAYBUCO-UHFFFAOYSA-N 1 0 481.016 3.199 20 0 JGADRO COCC(C)(C)CCCn1c(-c2cccn2C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001300919311 1065719128 /nfs/dbraw/zinc/71/91/28/1065719128.db2.gz CPACVWLIQNNVAP-OAQYLSRUSA-N 1 0 458.651 3.285 20 0 JGADRO COCC(C)(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001300924480 1065721862 /nfs/dbraw/zinc/72/18/62/1065721862.db2.gz CMZGNASKAWJDIW-FGZHOGPDSA-N 1 0 463.667 3.174 20 0 JGADRO COCC(C)(C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001300925755 1065723823 /nfs/dbraw/zinc/72/38/23/1065723823.db2.gz OGVRHDSQHBIUDQ-SFTDATJTSA-N 1 0 463.667 3.314 20 0 JGADRO COCC(C)(C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001300927162 1065725856 /nfs/dbraw/zinc/72/58/56/1065725856.db2.gz QXKKBGRFYSSEHY-QFIPXVFZSA-N 1 0 487.693 3.282 20 0 JGADRO COCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001300929400 1065728855 /nfs/dbraw/zinc/72/88/55/1065728855.db2.gz PNSYPZOWVWDTNZ-UXHICEINSA-N 1 0 475.609 3.388 20 0 JGADRO COCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300938264 1065740259 /nfs/dbraw/zinc/74/02/59/1065740259.db2.gz OOFMEAOOBCOEJB-OAQYLSRUSA-N 1 0 451.619 3.310 20 0 JGADRO COCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001300939009 1065741208 /nfs/dbraw/zinc/74/12/08/1065741208.db2.gz YBJBLZUCSOOASF-LJQANCHMSA-N 1 0 465.602 3.300 20 0 JGADRO COCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300939303 1065742116 /nfs/dbraw/zinc/74/21/16/1065742116.db2.gz AFWAKQQOFVZHQJ-UHFFFAOYSA-N 1 0 481.645 3.175 20 0 JGADRO COCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001300943148 1065745506 /nfs/dbraw/zinc/74/55/06/1065745506.db2.gz SLTUFKFAYQAPBO-IFMALSPDSA-N 1 0 495.734 3.334 20 0 JGADRO COC[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001300953347 1065757480 /nfs/dbraw/zinc/75/74/80/1065757480.db2.gz PRINLTOZWFWYLL-SFHVURJKSA-N 1 0 475.037 3.209 20 0 JGADRO COC[C@@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001300954207 1065758667 /nfs/dbraw/zinc/75/86/67/1065758667.db2.gz VVRRQSFBVXKJCH-VQTJNVASSA-N 1 0 485.608 3.286 20 0 JGADRO COC[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001300955866 1065760219 /nfs/dbraw/zinc/76/02/19/1065760219.db2.gz GRUICKZCNCMFCH-INMHGKMJSA-N 1 0 451.413 3.002 20 0 JGADRO COC[C@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001300959007 1065766149 /nfs/dbraw/zinc/76/61/49/1065766149.db2.gz XQLQXJJOAIQKES-UYAOXDASSA-N 1 0 473.618 3.318 20 0 JGADRO COC[C@@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001300959001 1065766189 /nfs/dbraw/zinc/76/61/89/1065766189.db2.gz XPZHZRADPLFUPQ-ICSRJNTNSA-N 1 0 473.618 3.318 20 0 JGADRO COC[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001300973765 1065783252 /nfs/dbraw/zinc/78/32/52/1065783252.db2.gz BJLPHUCKBDDFSO-NJYVYQBISA-N 1 0 490.643 3.424 20 0 JGADRO COC[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001300985194 1065796696 /nfs/dbraw/zinc/79/66/96/1065796696.db2.gz PQTZYURFBQFQKD-RTWAWAEBSA-N 1 0 457.619 3.138 20 0 JGADRO COC[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001300985191 1065796935 /nfs/dbraw/zinc/79/69/35/1065796935.db2.gz PMIKCANOYAFAQJ-JOCHJYFZSA-N 1 0 481.645 3.202 20 0 JGADRO COC[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001300999629 1065821796 /nfs/dbraw/zinc/82/17/96/1065821796.db2.gz SFSDLYUGTHCPIM-MRXNPFEDSA-N 1 0 470.387 3.039 20 0 JGADRO 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COC[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001301226958 1066046301 /nfs/dbraw/zinc/04/63/01/1066046301.db2.gz DXPBEKVBKPUDOR-JTHBVZDNSA-N 1 0 468.646 3.288 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001301228705 1066047854 /nfs/dbraw/zinc/04/78/54/1066047854.db2.gz VHQPPUTZXUPSRE-UXHICEINSA-N 1 0 457.623 3.155 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001301240059 1066058010 /nfs/dbraw/zinc/05/80/10/1066058010.db2.gz ORWWYQORKDXWPY-IRLDBZIGSA-N 1 0 457.619 3.053 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301247295 1066063945 /nfs/dbraw/zinc/06/39/45/1066063945.db2.gz BFPNUVXKSQWGQN-XJUOHMSHSA-N 1 0 470.662 3.405 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001301247599 1066064564 /nfs/dbraw/zinc/06/45/64/1066064564.db2.gz JACMKFKNGIPCHC-JTHBVZDNSA-N 1 0 455.647 3.399 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@@H](COC)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001301250843 1066067946 /nfs/dbraw/zinc/06/79/46/1066067946.db2.gz HXFCSYOJMWLSDB-LUKWVAJMSA-N 1 0 463.667 3.377 20 0 JGADRO COC[C@H]1CCCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)C1 ZINC001301253145 1066069130 /nfs/dbraw/zinc/06/91/30/1066069130.db2.gz YUPRRLXWQZVQNK-PCCBWWKXSA-N 1 0 476.666 3.398 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001301253200 1066069629 /nfs/dbraw/zinc/06/96/29/1066069629.db2.gz ZFWSEETYSFAJSS-JIPXPUAJSA-N 1 0 485.673 3.474 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001301253202 1066069698 /nfs/dbraw/zinc/06/96/98/1066069698.db2.gz ZFWSEETYSFAJSS-KDYSTLNUSA-N 1 0 485.673 3.474 20 0 JGADRO COC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001301255878 1066070821 /nfs/dbraw/zinc/07/08/21/1066070821.db2.gz IGLVMHGAAJOYLV-UNMCSNQZSA-N 1 0 477.613 3.309 20 0 JGADRO 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COCCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC(C)CC2)C1 ZINC001302189611 1066668865 /nfs/dbraw/zinc/66/88/65/1066668865.db2.gz JERMLHPDMZOSOW-YPAWHYETSA-N 1 0 463.667 3.170 20 0 JGADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCC(F)F)CC1 ZINC001302191089 1066673395 /nfs/dbraw/zinc/67/33/95/1066673395.db2.gz PVXQGNRSFGOHIA-UHFFFAOYSA-N 1 0 482.576 3.236 20 0 JGADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC001301746687 1066673990 /nfs/dbraw/zinc/67/39/90/1066673990.db2.gz NFWKSINYRIXVFP-INIZCTEOSA-N 1 0 458.384 3.165 20 0 JGADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)CCCO2)CC1 ZINC001302191271 1066674201 /nfs/dbraw/zinc/67/42/01/1066674201.db2.gz XSIJTHMRGIUMFQ-DEOSSOPVSA-N 1 0 455.607 3.053 20 0 JGADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001302191170 1066674321 /nfs/dbraw/zinc/67/43/21/1066674321.db2.gz SWXZQTKZHGIUDP-UHFFFAOYSA-N 1 0 496.681 3.491 20 0 JGADRO 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ZINC001302203082 1066699248 /nfs/dbraw/zinc/69/92/48/1066699248.db2.gz NTFVXHLJNKWGKJ-MRXNPFEDSA-N 1 0 463.424 3.298 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC1 ZINC001302202979 1066699254 /nfs/dbraw/zinc/69/92/54/1066699254.db2.gz MHRNRSCWMXAEQS-FQEVSTJZSA-N 1 0 464.010 3.237 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCCOC2CCOCC2)CC1 ZINC001302203471 1066699928 /nfs/dbraw/zinc/69/99/28/1066699928.db2.gz RYPDTDMMZFTEQL-UHFFFAOYSA-N 1 0 471.646 3.406 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CC1 ZINC001302203270 1066700167 /nfs/dbraw/zinc/70/01/67/1066700167.db2.gz QSKOJDALSLEDGA-JOCHJYFZSA-N 1 0 466.051 3.299 20 0 JGADRO CC(C)(C)NC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001302213026 1066715184 /nfs/dbraw/zinc/71/51/84/1066715184.db2.gz AMGMAPNPZBMEHG-OAQYLSRUSA-N 1 0 475.682 3.068 20 0 JGADRO CC(C)[NH+]1CCC(CCNC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 ZINC001301772151 1066715311 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Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC2(O)CCOCC2)c1C ZINC001304026181 1067072607 /nfs/dbraw/zinc/07/26/07/1067072607.db2.gz NYTMYDQWLKXTID-JOCHJYFZSA-N 1 0 471.646 3.497 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)c1C ZINC001304027748 1067074959 /nfs/dbraw/zinc/07/49/59/1067074959.db2.gz ZRMYECADOVIZKU-LVXARBLLSA-N 1 0 471.646 3.497 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCOC2)c1C ZINC001304027749 1067075007 /nfs/dbraw/zinc/07/50/07/1067075007.db2.gz ZRMYECADOVIZKU-QFQXNSOFSA-N 1 0 471.646 3.497 20 0 JGADRO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001302471375 1067075743 /nfs/dbraw/zinc/07/57/43/1067075743.db2.gz QXNTWBBOXHEMDI-FYYLOGMGSA-N 1 0 467.662 3.127 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001304028881 1067076645 /nfs/dbraw/zinc/07/66/45/1067076645.db2.gz ISVZGEWKMDXEQS-VWPQPMDRSA-N 1 0 498.672 3.249 20 0 JGADRO CC(C)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001302477282 1067078454 /nfs/dbraw/zinc/07/84/54/1067078454.db2.gz JOMVXIXTYYRLRH-QFIPXVFZSA-N 1 0 474.694 3.283 20 0 JGADRO CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001302477406 1067078825 /nfs/dbraw/zinc/07/88/25/1067078825.db2.gz APGNLOBKSZQURE-AKIFATBCSA-N 1 0 468.646 3.391 20 0 JGADRO CC(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001302479430 1067080122 /nfs/dbraw/zinc/08/01/22/1067080122.db2.gz ROKOSLZMUHJSED-NJDAHSKKSA-N 1 0 460.667 3.034 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CC(=O)NC(C)C)c1C ZINC001304031971 1067081005 /nfs/dbraw/zinc/08/10/05/1067081005.db2.gz YQFRYQRDWLKJBX-IFMALSPDSA-N 1 0 498.672 3.249 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001304032143 1067081568 /nfs/dbraw/zinc/08/15/68/1067081568.db2.gz ZZIHMNUEJVDJSZ-KNQAVFIVSA-N 1 0 468.646 3.483 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001302484810 1067084253 /nfs/dbraw/zinc/08/42/53/1067084253.db2.gz BWELPCAJCAMLAY-OPAMFIHVSA-N 1 0 495.466 3.132 20 0 JGADRO Cc1nc(CN2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)oc1C ZINC001304041597 1067085317 /nfs/dbraw/zinc/08/53/17/1067085317.db2.gz LXTZOJCAPLYMSV-YADHBBJMSA-N 1 0 473.666 3.075 20 0 JGADRO Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCC[C@H]3C)C2)sc1C ZINC001304045430 1067087993 /nfs/dbraw/zinc/08/79/93/1067087993.db2.gz PQVKQYSPPUZADG-APWZRJJASA-N 1 0 459.664 3.358 20 0 JGADRO Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCC[C@@H]3C)C2)sc1C ZINC001304045432 1067088066 /nfs/dbraw/zinc/08/80/66/1067088066.db2.gz PQVKQYSPPUZADG-QFBILLFUSA-N 1 0 459.664 3.358 20 0 JGADRO Cc1nc(Cn2c(C(C)C)nnc2N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)sc1C ZINC001304051806 1067093630 /nfs/dbraw/zinc/09/36/30/1067093630.db2.gz UEBUQYLTQOKDDM-UHFFFAOYSA-N 1 0 473.691 3.342 20 0 JGADRO Cc1nc(N2CCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2)sc1C ZINC001304055214 1067095643 /nfs/dbraw/zinc/09/56/43/1067095643.db2.gz DSKGEKFIZDCWER-GOSISDBHSA-N 1 0 461.680 3.302 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001302500667 1067099163 /nfs/dbraw/zinc/09/91/63/1067099163.db2.gz KOXXAIBMXGMBST-CUNXSJBXSA-N 1 0 484.689 3.054 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@H](C)[NH+](C)C ZINC001304057701 1067099391 /nfs/dbraw/zinc/09/93/91/1067099391.db2.gz ZUJBFKPXZGOWGB-FUHWJXTLSA-N 1 0 461.680 3.369 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001302502540 1067101142 /nfs/dbraw/zinc/10/11/42/1067101142.db2.gz DJZCAGNNCXAPED-OAQYLSRUSA-N 1 0 489.709 3.010 20 0 JGADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@H](C)CC(N)=O)n1CC[NH+]1CCCC1 ZINC001304058762 1067101144 /nfs/dbraw/zinc/10/11/44/1067101144.db2.gz OIXWBHZJXHNEMH-MRXNPFEDSA-N 1 0 453.616 3.173 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001302502754 1067101760 /nfs/dbraw/zinc/10/17/60/1067101760.db2.gz FRQVNUHQJOJPLE-HXUWFJFHSA-N 1 0 472.682 3.175 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001302502752 1067101790 /nfs/dbraw/zinc/10/17/90/1067101790.db2.gz FRQVNUHQJOJPLE-FQEVSTJZSA-N 1 0 472.682 3.175 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001302503965 1067104235 /nfs/dbraw/zinc/10/42/35/1067104235.db2.gz QCQBWKMISGHPCX-HOYKHHGWSA-N 1 0 462.708 3.360 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001302509300 1067114702 /nfs/dbraw/zinc/11/47/02/1067114702.db2.gz BZLWDVKLXBYZTC-IFMALSPDSA-N 1 0 462.683 3.278 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001302509790 1067116046 /nfs/dbraw/zinc/11/60/46/1067116046.db2.gz GKUMILIRQLPNEZ-RBBKRZOGSA-N 1 0 474.694 3.424 20 0 JGADRO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)[C@H]1C)[NH+]1CCCC1 ZINC001302512104 1067124215 /nfs/dbraw/zinc/12/42/15/1067124215.db2.gz BHPGZNSYENJYGH-QRVBRYPASA-N 1 0 457.648 3.376 20 0 JGADRO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)cnn1C ZINC001304079695 1067124390 /nfs/dbraw/zinc/12/43/90/1067124390.db2.gz PSWJMFNFEMEVNP-BVAGGSTKSA-N 1 0 481.645 3.300 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001302512485 1067125500 /nfs/dbraw/zinc/12/55/00/1067125500.db2.gz CSPMSXGLYWUOPN-WOJBJXKFSA-N 1 0 466.051 3.342 20 0 JGADRO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001302514544 1067131315 /nfs/dbraw/zinc/13/13/15/1067131315.db2.gz QZRIDEJOBUVDKU-VQTJNVASSA-N 1 0 469.634 3.297 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[C@H](C)C1)[NH+]1CCCC1 ZINC001302514741 1067131825 /nfs/dbraw/zinc/13/18/25/1067131825.db2.gz SACIXXFUEWHVAV-VIZSFHNOSA-N 1 0 488.702 3.408 20 0 JGADRO CC(C)[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001302515139 1067132828 /nfs/dbraw/zinc/13/28/28/1067132828.db2.gz IRNVZCJWBPFDKO-GCJKJVERSA-N 1 0 472.659 3.416 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC001302515252 1067133493 /nfs/dbraw/zinc/13/34/93/1067133493.db2.gz WKHIXWDRJUAJLI-FQEVSTJZSA-N 1 0 483.007 3.342 20 0 JGADRO CC(C)[C@H](Cn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001302515859 1067134524 /nfs/dbraw/zinc/13/45/24/1067134524.db2.gz NWSLVVPDKOVXEG-UWJYYQICSA-N 1 0 460.648 3.121 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](c2cccs2)[NH+](C)C)cnn1C ZINC001304092058 1067135257 /nfs/dbraw/zinc/13/52/57/1067135257.db2.gz PMZFHQOPRAJBNB-FQEVSTJZSA-N 1 0 450.616 3.307 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304092884 1067137016 /nfs/dbraw/zinc/13/70/16/1067137016.db2.gz CSNHFNGUWGGPFD-UHFFFAOYSA-N 1 0 471.650 3.435 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302518294 1067137771 /nfs/dbraw/zinc/13/77/71/1067137771.db2.gz FMNOSJCAUKBPTG-RBBKRZOGSA-N 1 0 499.660 3.190 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302518572 1067137796 /nfs/dbraw/zinc/13/77/96/1067137796.db2.gz HDTKTSMVDIBRCD-IBGZPJMESA-N 1 0 485.526 3.335 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302519206 1067139033 /nfs/dbraw/zinc/13/90/33/1067139033.db2.gz MDOPGEWWCWOFNN-IFMALSPDSA-N 1 0 499.660 3.048 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001302519384 1067139613 /nfs/dbraw/zinc/13/96/13/1067139613.db2.gz NEAZLDNFPGRPNT-NSHGMRRFSA-N 1 0 457.623 3.495 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccccc3F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cnn1C ZINC001304098044 1067139928 /nfs/dbraw/zinc/13/99/28/1067139928.db2.gz ITXWGQNQWNWZQJ-OALUTQOASA-N 1 0 485.608 3.174 20 0 JGADRO CSC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001302520162 1067140021 /nfs/dbraw/zinc/14/00/21/1067140021.db2.gz DGONIYZNCSIZLZ-UHFFFAOYSA-N 1 0 479.720 3.300 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1C ZINC001304098684 1067141694 /nfs/dbraw/zinc/14/16/94/1067141694.db2.gz SAIRFZCMZKCOKQ-IBGZPJMESA-N 1 0 485.608 3.175 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302523053 1067143376 /nfs/dbraw/zinc/14/33/76/1067143376.db2.gz HJJLNTYZZQNAHH-RDGPPVDQSA-N 1 0 473.634 3.028 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](C(C)C)CC1)N1CCOCC1 ZINC001302525606 1067148629 /nfs/dbraw/zinc/14/86/29/1067148629.db2.gz ONGLUGQWTMSKSO-XMMPIXPASA-N 1 0 472.653 3.285 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCCC1 ZINC001302527542 1067154124 /nfs/dbraw/zinc/15/41/24/1067154124.db2.gz YIISHQKXVGREIA-YLJYHZDGSA-N 1 0 499.603 3.354 20 0 JGADRO CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](C(C)(C)C)CC1)c1cccnc1 ZINC001302528974 1067157187 /nfs/dbraw/zinc/15/71/87/1067157187.db2.gz PGQRFGPKFOCGHY-OAQYLSRUSA-N 1 0 453.635 3.156 20 0 JGADRO CSC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001302533257 1067162390 /nfs/dbraw/zinc/16/23/90/1067162390.db2.gz IARVKBSKOWTBBJ-NRFANRHFSA-N 1 0 492.759 3.303 20 0 JGADRO Cc1c(Cl)cccc1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001304127503 1067165524 /nfs/dbraw/zinc/16/55/24/1067165524.db2.gz AMZOVGFIDIJYAI-UHFFFAOYSA-N 1 0 499.063 3.224 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304135671 1067174044 /nfs/dbraw/zinc/17/40/44/1067174044.db2.gz HUQPIGIHVYYVEN-BGYRXZFFSA-N 1 0 454.619 3.347 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304136458 1067175526 /nfs/dbraw/zinc/17/55/26/1067175526.db2.gz OJLTYENZHDPFSJ-XPWALMASSA-N 1 0 498.672 3.363 20 0 JGADRO CC(C)c1nc([C@H]2CN(c3nnc(Cc4ccc(F)cc4)n3C[C@H](C)[NH+](C)C)CCO2)no1 ZINC001302544427 1067177623 /nfs/dbraw/zinc/17/76/23/1067177623.db2.gz BDRZCBRZFFFPNF-QFBILLFUSA-N 1 0 457.554 3.042 20 0 JGADRO CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302545234 1067179426 /nfs/dbraw/zinc/17/94/26/1067179426.db2.gz HMIRPIRUIPHNGV-WOIUINJBSA-N 1 0 456.660 3.076 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H](C)[NH+](C)C ZINC001304139591 1067179949 /nfs/dbraw/zinc/17/99/49/1067179949.db2.gz JHCQXJFTMITKRL-UXHICEINSA-N 1 0 479.069 3.407 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001304139127 1067180017 /nfs/dbraw/zinc/18/00/17/1067180017.db2.gz LUWNTSRPUQRLCD-OALUTQOASA-N 1 0 475.037 3.451 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001304139894 1067180499 /nfs/dbraw/zinc/18/04/99/1067180499.db2.gz PIXOCCMJFZJHHH-ZVDOUQERSA-N 1 0 477.053 3.159 20 0 JGADRO 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ZINC001302623987 1067253960 /nfs/dbraw/zinc/25/39/60/1067253960.db2.gz WGKOHNHNVNYEMT-UHFFFAOYSA-N 1 0 483.686 3.482 20 0 JGADRO Cc1cccc(CN(C)c2nnc(Cc3cccnc3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001304211259 1067255138 /nfs/dbraw/zinc/25/51/38/1067255138.db2.gz QUFQQAIODNIRFE-UHFFFAOYSA-N 1 0 461.658 3.482 20 0 JGADRO CSC1(Cn2c(N3C[C@@H](C)OC4(CCOCC4)C3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302625997 1067255999 /nfs/dbraw/zinc/25/59/99/1067255999.db2.gz YYTFAIIPLSPXGL-GOSISDBHSA-N 1 0 451.681 3.177 20 0 JGADRO CSC1(Cn2c(N(C)CCc3nccs3)nnc2[C@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001302625669 1067256008 /nfs/dbraw/zinc/25/60/08/1067256008.db2.gz UXVOYMRFHUVSLW-QHCPKHFHSA-N 1 0 494.731 3.282 20 0 JGADRO CSC1(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2F)CC[NH+](C)CC1 ZINC001302628590 1067258557 /nfs/dbraw/zinc/25/85/57/1067258557.db2.gz ZUUMELWZOPFOJG-UHFFFAOYSA-N 1 0 460.623 3.003 20 0 JGADRO CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302629322 1067259558 /nfs/dbraw/zinc/25/95/58/1067259558.db2.gz XEVLBUQSBHTPGZ-FQEVSTJZSA-N 1 0 476.691 3.172 20 0 JGADRO CSC1(Cn2c(N3CCN(C(=O)OCC(C)C)CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302632420 1067261094 /nfs/dbraw/zinc/26/10/94/1067261094.db2.gz DBUVMFHCMHXOKM-UHFFFAOYSA-N 1 0 466.696 3.318 20 0 JGADRO CSC1(Cn2c(N3CCN(Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302634151 1067263012 /nfs/dbraw/zinc/26/30/12/1067263012.db2.gz MXKFFABAWZBJMF-UHFFFAOYSA-N 1 0 477.748 3.490 20 0 JGADRO CSC1(Cn2c(N3CCOC(C)(C)[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001302634702 1067263548 /nfs/dbraw/zinc/26/35/48/1067263548.db2.gz OGXBIBLCNGALPW-DVECYGJZSA-N 1 0 481.707 3.150 20 0 JGADRO CC(C)c1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302638708 1067268331 /nfs/dbraw/zinc/26/83/31/1067268331.db2.gz PNKDACZFKCIDPV-HSZRJFAPSA-N 1 0 473.637 3.352 20 0 JGADRO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001302639676 1067269247 /nfs/dbraw/zinc/26/92/47/1067269247.db2.gz RAHBELFEXQEEKT-XIFFEERXSA-N 1 0 473.687 3.410 20 0 JGADRO Cc1cc(F)cc2c1CN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](C)[NH+]1CCCCC1)CC2 ZINC001304233576 1067272236 /nfs/dbraw/zinc/27/22/36/1067272236.db2.gz IQIONPVVSXXMJU-OALUTQOASA-N 1 0 492.665 3.163 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cnnn1C ZINC001304233695 1067272732 /nfs/dbraw/zinc/27/27/32/1067272732.db2.gz YBMHSVMIIWXHQW-UHFFFAOYSA-N 1 0 487.052 3.349 20 0 JGADRO CSc1ccc(F)cc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302652568 1067278931 /nfs/dbraw/zinc/27/89/31/1067278931.db2.gz CSIGUUVPQUWKOQ-GOSISDBHSA-N 1 0 460.623 3.449 20 0 JGADRO Cc1cc(N2CCN(c3nnc(-c4cnccn4)n3CCC[N@@H+](C)C(C)C)CC2)nc(C(C)C)n1 ZINC001304246167 1067281642 /nfs/dbraw/zinc/28/16/42/1067281642.db2.gz VCONFJDEOJXLBE-UHFFFAOYSA-N 1 0 478.649 3.014 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001302654376 1067282132 /nfs/dbraw/zinc/28/21/32/1067282132.db2.gz HNJPDYJOCPWGAS-QFIPXVFZSA-N 1 0 468.646 3.176 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001304249213 1067284431 /nfs/dbraw/zinc/28/44/31/1067284431.db2.gz DWXAMQKQZHBXRF-FGZHOGPDSA-N 1 0 468.646 3.458 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H]2c2nncn2C)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001302657200 1067285709 /nfs/dbraw/zinc/28/57/09/1067285709.db2.gz CNTPZEOUZFDQMC-OAQYLSRUSA-N 1 0 452.607 3.250 20 0 JGADRO CC(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302661091 1067287959 /nfs/dbraw/zinc/28/79/59/1067287959.db2.gz BMMNHVJTOFEADF-UHFFFAOYSA-N 1 0 487.718 3.089 20 0 JGADRO CC(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302661140 1067288370 /nfs/dbraw/zinc/28/83/70/1067288370.db2.gz CVFAORTUHMIZPU-UHFFFAOYSA-N 1 0 474.675 3.051 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302661207 1067288502 /nfs/dbraw/zinc/28/85/02/1067288502.db2.gz SFRPMCVTHPTBFV-SFTDATJTSA-N 1 0 480.723 3.353 20 0 JGADRO CS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001302663582 1067290497 /nfs/dbraw/zinc/29/04/97/1067290497.db2.gz OSTWYJXTDIPKKG-JTSKRJEESA-N 1 0 475.688 3.085 20 0 JGADRO CC(C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302664389 1067291539 /nfs/dbraw/zinc/29/15/39/1067291539.db2.gz IZBCYUPMUBTDRM-QHCPKHFHSA-N 1 0 481.689 3.057 20 0 JGADRO CC(C)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001302665146 1067292536 /nfs/dbraw/zinc/29/25/36/1067292536.db2.gz RALMKUYLJMCVCK-UHFFFAOYSA-N 1 0 468.568 3.465 20 0 JGADRO CS[C@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC[NH+]2CCOCC2)C1 ZINC001302666731 1067293878 /nfs/dbraw/zinc/29/38/78/1067293878.db2.gz SBHGLRHDGMRQCA-URXFXBBRSA-N 1 0 481.707 3.153 20 0 JGADRO CS[C@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC[NH+]2CCOCC2)C1 ZINC001302666733 1067293917 /nfs/dbraw/zinc/29/39/17/1067293917.db2.gz SBHGLRHDGMRQCA-XUZZJYLKSA-N 1 0 481.707 3.153 20 0 JGADRO CC(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001302667420 1067294853 /nfs/dbraw/zinc/29/48/53/1067294853.db2.gz BJKSJPINWFTAPO-IBGZPJMESA-N 1 0 462.664 3.003 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc(-c3ccccn3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001302668138 1067295811 /nfs/dbraw/zinc/29/58/11/1067295811.db2.gz IYZBBJAYLHGHDQ-OAQYLSRUSA-N 1 0 457.692 3.336 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001302670746 1067296740 /nfs/dbraw/zinc/29/67/40/1067296740.db2.gz BGNIYMHFKRPCDT-UXHICEINSA-N 1 0 460.623 3.222 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302674438 1067300185 /nfs/dbraw/zinc/30/01/85/1067300185.db2.gz REUIBYGBSDCNDG-HTAPYJJXSA-N 1 0 452.669 3.284 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001304268175 1067301604 /nfs/dbraw/zinc/30/16/04/1067301604.db2.gz GORGFHFFKCODHX-MOPGFXCFSA-N 1 0 454.619 3.083 20 0 JGADRO CS[C@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001302676193 1067301673 /nfs/dbraw/zinc/30/16/73/1067301673.db2.gz BJNRREBVDUGBMT-AXHZCLLHSA-N 1 0 494.706 3.139 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+](C)C)C1 ZINC001302678863 1067304426 /nfs/dbraw/zinc/30/44/26/1067304426.db2.gz OMWIJHNYKUOJCP-OTWHNJEPSA-N 1 0 482.695 3.259 20 0 JGADRO Cc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001304273781 1067310434 /nfs/dbraw/zinc/31/04/34/1067310434.db2.gz KDEQOLGTESNRGO-RXVVDRJESA-N 1 0 490.578 3.363 20 0 JGADRO Cc1ccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](CC(N)=O)C2)[NH+](C)C)cc1 ZINC001304275319 1067312759 /nfs/dbraw/zinc/31/27/59/1067312759.db2.gz PHJDSASCQXLLJJ-NFBKMPQASA-N 1 0 461.614 3.352 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001302689545 1067313959 /nfs/dbraw/zinc/31/39/59/1067313959.db2.gz MHEBMNRLUGYYGX-JOCHJYFZSA-N 1 0 473.710 3.237 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001304276161 1067314149 /nfs/dbraw/zinc/31/41/49/1067314149.db2.gz XSSVPRPVZRCIGC-DENIHFKCSA-N 1 0 468.646 3.296 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC(F)(F)Br ZINC001302689567 1067314242 /nfs/dbraw/zinc/31/42/42/1067314242.db2.gz NGERUIVQGZEBST-INIZCTEOSA-N 1 0 458.351 3.245 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001302689718 1067314463 /nfs/dbraw/zinc/31/44/63/1067314463.db2.gz PKRGIBGUHQZQEE-LADGPHEKSA-N 1 0 481.689 3.227 20 0 JGADRO Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001304276737 1067315079 /nfs/dbraw/zinc/31/50/79/1067315079.db2.gz URUHZZSHOVECIU-LEWJYISDSA-N 1 0 499.660 3.131 20 0 JGADRO Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC001304276738 1067315468 /nfs/dbraw/zinc/31/54/68/1067315468.db2.gz URUHZZSHOVECIU-NHCUHLMSSA-N 1 0 499.660 3.131 20 0 JGADRO Cc1ccc([C@H](Cn2c(N(C)CCN3CCOCC3)nnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC001304277250 1067315792 /nfs/dbraw/zinc/31/57/92/1067315792.db2.gz CYWCWPKFLXHWML-QHCPKHFHSA-N 1 0 454.663 3.490 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)[NH+](C)C)cc1 ZINC001304277987 1067317099 /nfs/dbraw/zinc/31/70/99/1067317099.db2.gz HQRBSRIMMOFBNW-PKTZIBPZSA-N 1 0 468.646 3.088 20 0 JGADRO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@H]3NC(=O)OC[C@H]3C2)[NH+](C)C)cc1 ZINC001304278361 1067317790 /nfs/dbraw/zinc/31/77/90/1067317790.db2.gz LFMDOAAWYYMFNI-HKBOAZHASA-N 1 0 454.619 3.413 20 0 JGADRO Cc1ccc([C@@H](Cn2c(N3CC[NH+](C(C)C)CC3)nnc2C(C)(C)C)N2CCOCC2)cc1 ZINC001304278394 1067317990 /nfs/dbraw/zinc/31/79/90/1067317990.db2.gz OVNBEXFBLVODDO-HSZRJFAPSA-N 1 0 454.663 3.488 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1cccc(OCC(N)=O)c1 ZINC001302692709 1067318358 /nfs/dbraw/zinc/31/83/58/1067318358.db2.gz MPQOBDWZJNNINZ-UHFFFAOYSA-N 1 0 454.619 3.016 20 0 JGADRO Cc1ccc([C@H](Cn2c(N3CC[NH+](C(C)C)CC3)nnc2C(C)(C)C)N2CCOCC2)cc1 ZINC001304278395 1067318341 /nfs/dbraw/zinc/31/83/41/1067318341.db2.gz OVNBEXFBLVODDO-QHCPKHFHSA-N 1 0 454.663 3.488 20 0 JGADRO Cc1ccc([C@H](Cn2c(N3CCC(CO)CC3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001304278569 1067318627 /nfs/dbraw/zinc/31/86/27/1067318627.db2.gz SLBXADNLOOGYDS-OZXSUGGESA-N 1 0 471.646 3.139 20 0 JGADRO Cc1ccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)[NH+](C)C)cc1 ZINC001304278774 1067319343 /nfs/dbraw/zinc/31/93/43/1067319343.db2.gz NYLRCGLIOVOFEN-XZOQPEGZSA-N 1 0 484.645 3.308 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N(C)CC2COC(C)(C)OC2)[NH+](C)C)cc1 ZINC001304279258 1067319821 /nfs/dbraw/zinc/31/98/21/1067319821.db2.gz SVKPWQOMGDRKLO-VXKWHMMOSA-N 1 0 457.619 3.229 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001304279687 1067320102 /nfs/dbraw/zinc/32/01/02/1067320102.db2.gz DHNZBKOUJFULFF-XMMPIXPASA-N 1 0 471.005 3.225 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304281293 1067321656 /nfs/dbraw/zinc/32/16/56/1067321656.db2.gz FHHREYHXVHQDOH-PBDKAQRYSA-N 1 0 498.672 3.063 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001304283195 1067323855 /nfs/dbraw/zinc/32/38/55/1067323855.db2.gz RGYZLOSVBBQRAB-VXKWHMMOSA-N 1 0 468.646 3.154 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCC(=O)NC(C)C)c1 ZINC001304283303 1067324047 /nfs/dbraw/zinc/32/40/47/1067324047.db2.gz UGEDMCFRSAYKFQ-NHCUHLMSSA-N 1 0 454.619 3.062 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001304284198 1067325345 /nfs/dbraw/zinc/32/53/45/1067325345.db2.gz ORMQKKNLGPNBFE-YADHBBJMSA-N 1 0 457.619 3.056 20 0 JGADRO CC(C)c1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001302704767 1067327016 /nfs/dbraw/zinc/32/70/16/1067327016.db2.gz NNRBRLJARANMMM-WIYYLYMNSA-N 1 0 454.402 3.353 20 0 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CC(C)C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCOC1)[NH+](C)C ZINC001302808030 1067395930 /nfs/dbraw/zinc/39/59/30/1067395930.db2.gz LXOUAFFOVJNYGJ-IRXDYDNUSA-N 1 0 453.429 3.248 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001302808848 1067396849 /nfs/dbraw/zinc/39/68/49/1067396849.db2.gz ROVAHCBWQLXKKJ-IAGOWNOFSA-N 1 0 497.507 3.266 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001302808914 1067397248 /nfs/dbraw/zinc/39/72/48/1067397248.db2.gz SFJOFVRNCORYKP-CMKODMSKSA-N 1 0 460.598 3.235 20 0 JGADRO CC(C)C[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)[NH+](C)C ZINC001302809114 1067397493 /nfs/dbraw/zinc/39/74/93/1067397493.db2.gz UMFGHEIJWAPIOK-RTWAWAEBSA-N 1 0 468.712 3.209 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)[NH+](C)C ZINC001302809112 1067397621 /nfs/dbraw/zinc/39/76/21/1067397621.db2.gz UMFGHEIJWAPIOK-LEWJYISDSA-N 1 0 468.712 3.209 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1C)[NH+](C)C ZINC001302809128 1067397786 /nfs/dbraw/zinc/39/77/86/1067397786.db2.gz UUFCQDLRVRWSFP-QUCCMNQESA-N 1 0 462.664 3.160 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1)[NH+](C)C ZINC001302810661 1067398768 /nfs/dbraw/zinc/39/87/68/1067398768.db2.gz BHNTZYLPJBFJEY-OAQYLSRUSA-N 1 0 479.677 3.500 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[NH+](C)C ZINC001302810802 1067398838 /nfs/dbraw/zinc/39/88/38/1067398838.db2.gz CBUXJGAUGHRLDA-IBGZPJMESA-N 1 0 458.632 3.289 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1)[NH+](C)C ZINC001302811382 1067399018 /nfs/dbraw/zinc/39/90/18/1067399018.db2.gz GWZZGWRVKAAQHV-MJGOQNOKSA-N 1 0 456.595 3.334 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ccccc2)C1)[NH+](C)C ZINC001302815711 1067402929 /nfs/dbraw/zinc/40/29/29/1067402929.db2.gz ABHKJKIYWQGFFQ-CEMLEFRQSA-N 1 0 454.619 3.253 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302816325 1067403177 /nfs/dbraw/zinc/40/31/77/1067403177.db2.gz GTHQKARJIHLHMD-ROUUACIJSA-N 1 0 458.632 3.026 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302816324 1067403184 /nfs/dbraw/zinc/40/31/84/1067403184.db2.gz GTHQKARJIHLHMD-QZTJIDSGSA-N 1 0 458.632 3.026 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@@H]1CCCCO1)[NH+](C)C ZINC001302817306 1067404123 /nfs/dbraw/zinc/40/41/23/1067404123.db2.gz JOFYYLHVRDMBPX-PMACEKPBSA-N 1 0 481.645 3.174 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001302817447 1067404726 /nfs/dbraw/zinc/40/47/26/1067404726.db2.gz DJHAMOAWSAMPKY-REWPJTCUSA-N 1 0 486.636 3.296 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@H]4CCCOC4)n3C[C@@H](C)[NH+](C)C)CC2)cc1F ZINC001304366014 1067405153 /nfs/dbraw/zinc/40/51/53/1067405153.db2.gz BYVUMFBOWMVZCJ-KNQAVFIVSA-N 1 0 486.636 3.103 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302818027 1067405703 /nfs/dbraw/zinc/40/57/03/1067405703.db2.gz LSFYXXBPMBOCTR-NJYVYQBISA-N 1 0 494.681 3.226 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001302818116 1067405725 /nfs/dbraw/zinc/40/57/25/1067405725.db2.gz HFBSUJLFSVFHME-TUACAJSNSA-N 1 0 472.653 3.141 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001302818228 1067406085 /nfs/dbraw/zinc/40/60/85/1067406085.db2.gz HYVWNFFHPRIAQK-QGZVFWFLSA-N 1 0 464.605 3.474 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001302818686 1067406652 /nfs/dbraw/zinc/40/66/52/1067406652.db2.gz JQGQRRITRZFTAC-QNWVGRARSA-N 1 0 491.677 3.365 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001302820396 1067407832 /nfs/dbraw/zinc/40/78/32/1067407832.db2.gz PLZNNFTZFXVKRP-HSZRJFAPSA-N 1 0 450.635 3.353 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001302820370 1067407848 /nfs/dbraw/zinc/40/78/48/1067407848.db2.gz PDEDJWTTXHCEOA-SEINPYIVSA-N 1 0 456.635 3.013 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1)[NH+](C)C ZINC001302820561 1067407855 /nfs/dbraw/zinc/40/78/55/1067407855.db2.gz QFKSYSJTLTWYGZ-PMACEKPBSA-N 1 0 459.614 3.009 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1)[NH+](C)C ZINC001302820584 1067408308 /nfs/dbraw/zinc/40/83/08/1067408308.db2.gz QOUHZUUNHITMBS-XPNTWCBSSA-N 1 0 457.619 3.043 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1)[NH+](C)C ZINC001302820868 1067408761 /nfs/dbraw/zinc/40/87/61/1067408761.db2.gz RWBSPKYKZWXSMY-QFIPXVFZSA-N 1 0 470.637 3.433 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC001302821036 1067409270 /nfs/dbraw/zinc/40/92/70/1067409270.db2.gz WCSDRRYUFIAATA-DENIHFKCSA-N 1 0 482.629 3.228 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](CN2CCOCC2)C1)[NH+](C)C ZINC001302821027 1067409299 /nfs/dbraw/zinc/40/92/99/1067409299.db2.gz TVATUONUBMTBAJ-LEWJYISDSA-N 1 0 490.643 3.282 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001302821495 1067410032 /nfs/dbraw/zinc/41/00/32/1067410032.db2.gz WYZCOSUIJFYWKS-NRFANRHFSA-N 1 0 471.650 3.297 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)CC2)cc1C ZINC001304371773 1067410259 /nfs/dbraw/zinc/41/02/59/1067410259.db2.gz PQFVMFHDQBJYGT-XMMPIXPASA-N 1 0 481.689 3.480 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001302821708 1067410552 /nfs/dbraw/zinc/41/05/52/1067410552.db2.gz XVDHHDXORGBLRC-QHCPKHFHSA-N 1 0 478.645 3.007 20 0 JGADRO CC(C)C[C@H](Cn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001302822034 1067410947 /nfs/dbraw/zinc/41/09/47/1067410947.db2.gz LBFBGNINFGGUSK-SLSDLSHTSA-N 1 0 473.666 3.370 20 0 JGADRO CC(C)C[C@H](Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001302823829 1067412514 /nfs/dbraw/zinc/41/25/14/1067412514.db2.gz VMGWMLQBJGKVFN-RPWUZVMVSA-N 1 0 465.646 3.351 20 0 JGADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1)[NH+](C)C ZINC001302823505 1067412552 /nfs/dbraw/zinc/41/25/52/1067412552.db2.gz SWHYCYJELJATLA-SIKLNZKXSA-N 1 0 490.599 3.233 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1)[NH+](C)C ZINC001302824366 1067413286 /nfs/dbraw/zinc/41/32/86/1067413286.db2.gz ZVILQVRGNAICKU-BHIFYINESA-N 1 0 460.667 3.020 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCCCC[NH+]2CCCCC2)cc1C ZINC001304374502 1067413306 /nfs/dbraw/zinc/41/33/06/1067413306.db2.gz FENPVIKKYYWSLA-QFIPXVFZSA-N 1 0 495.672 3.470 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+](C)C ZINC001302824294 1067413356 /nfs/dbraw/zinc/41/33/56/1067413356.db2.gz YVFXKEOXLXNDSX-TZIWHRDSSA-N 1 0 453.635 3.497 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001302824405 1067413414 /nfs/dbraw/zinc/41/34/14/1067413414.db2.gz JUKJLUSXYXYEJF-ZZLPTCMGSA-N 1 0 474.694 3.374 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+](C)C ZINC001302824771 1067413860 /nfs/dbraw/zinc/41/38/60/1067413860.db2.gz SUMPEUPJIUZXJO-MTQWCTHYSA-N 1 0 471.712 3.042 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@H+]2CC=CCC2)cc1C ZINC001304376431 1067417608 /nfs/dbraw/zinc/41/76/08/1067417608.db2.gz YQUHZBIVCWNSLL-OAQYLSRUSA-N 1 0 452.603 3.272 20 0 JGADRO CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001302827840 1067418121 /nfs/dbraw/zinc/41/81/21/1067418121.db2.gz WKTMIRIIVBNENI-YRXWBPOGSA-N 1 0 464.680 3.475 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001304376715 1067418546 /nfs/dbraw/zinc/41/85/46/1067418546.db2.gz AGEUURHULHSEHE-IEIRFRATSA-N 1 0 495.672 3.325 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC001304376641 1067418623 /nfs/dbraw/zinc/41/86/23/1067418623.db2.gz BSLIMLVGEQGNRA-JOCHJYFZSA-N 1 0 481.645 3.125 20 0 JGADRO CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@@H]3CCC[C@H]3[NH+]3CCC(O)CC3)cc2)CC1 ZINC001302833710 1067421412 /nfs/dbraw/zinc/42/14/12/1067421412.db2.gz CCBDACCXIWBKPT-DNQXCXABSA-N 1 0 456.631 3.136 20 0 JGADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CCCN1CCOCC1 ZINC001302835059 1067422504 /nfs/dbraw/zinc/42/25/04/1067422504.db2.gz GMQMIRGKEIJBHB-UHFFFAOYSA-N 1 0 454.663 3.300 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001304379317 1067423917 /nfs/dbraw/zinc/42/39/17/1067423917.db2.gz IZJDNLAKCCLLOW-QFIPXVFZSA-N 1 0 495.672 3.374 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCOC3)n2C[C@H](C)C[NH+]2CCCCC2)cc1C ZINC001304379733 1067425834 /nfs/dbraw/zinc/42/58/34/1067425834.db2.gz SOYQZWAXFCLKEJ-XMSQKQJNSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCOC3)n2C[C@H](C)C[NH+]2CCCCC2)cc1C ZINC001304379729 1067425838 /nfs/dbraw/zinc/42/58/38/1067425838.db2.gz SOYQZWAXFCLKEJ-GCJKJVERSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001304380037 1067426815 /nfs/dbraw/zinc/42/68/15/1067426815.db2.gz VARYDENJCXVJJI-IBGZPJMESA-N 1 0 469.634 3.112 20 0 JGADRO C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C[NH+](C)C)C[C@@H]1O ZINC001302842484 1067428745 /nfs/dbraw/zinc/42/87/45/1067428745.db2.gz QIHXPTPBXTXTGN-QYZOEREBSA-N 1 0 464.655 3.145 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CCO[C@H](C)C2)cc1C ZINC001304383777 1067433431 /nfs/dbraw/zinc/43/34/31/1067433431.db2.gz LRWYESYAODHDBF-RTWAWAEBSA-N 1 0 454.619 3.493 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1F ZINC001302850115 1067434533 /nfs/dbraw/zinc/43/45/33/1067434533.db2.gz AQCSRSJELCJNNI-QAPCUYQASA-N 1 0 453.509 3.452 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCCC[NH+]2CCCC2)cc1C ZINC001304384327 1067434876 /nfs/dbraw/zinc/43/48/76/1067434876.db2.gz SXRQIMPWWBZMTD-OAQYLSRUSA-N 1 0 481.645 3.115 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302851144 1067435496 /nfs/dbraw/zinc/43/54/96/1067435496.db2.gz ZGAUKOQNOSUZQY-GOSISDBHSA-N 1 0 472.588 3.416 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[NH+]2CCCC2)cc1C ZINC001304384714 1067435776 /nfs/dbraw/zinc/43/57/76/1067435776.db2.gz RYOYTDTVUDIYLD-UHFFFAOYSA-N 1 0 493.578 3.317 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304385073 1067437115 /nfs/dbraw/zinc/43/71/15/1067437115.db2.gz XELSHSYMUFNDAH-PZJWPPBQSA-N 1 0 483.661 3.228 20 0 JGADRO CC(C)Cc1nnc(N(C)CCNC(=O)C(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001302857124 1067440027 /nfs/dbraw/zinc/44/00/27/1067440027.db2.gz MYOBIBXAXBYEMN-UHFFFAOYSA-N 1 0 464.724 3.437 20 0 JGADRO CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CCn1cc(Cl)cn1 ZINC001302857744 1067440528 /nfs/dbraw/zinc/44/05/28/1067440528.db2.gz XXAYIJMOZOLWTQ-UHFFFAOYSA-N 1 0 471.053 3.285 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2CCC[N@@H+](C)C2CCCCC2)cc1C ZINC001304386875 1067441730 /nfs/dbraw/zinc/44/17/30/1067441730.db2.gz QNJLXLTWVZJSJP-UHFFFAOYSA-N 1 0 486.686 3.371 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CCC[N@@H+](C)C(C)C)C2)nc1 ZINC001304386992 1067441768 /nfs/dbraw/zinc/44/17/68/1067441768.db2.gz MYKLRHUFVPULIO-NHCUHLMSSA-N 1 0 469.634 3.071 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304388202 1067445520 /nfs/dbraw/zinc/44/55/20/1067445520.db2.gz MZMQSHDLFCMINU-UHFFFAOYSA-N 1 0 454.619 3.430 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001304388165 1067445589 /nfs/dbraw/zinc/44/55/89/1067445589.db2.gz LYFIWLMMBKKQCW-UHFFFAOYSA-N 1 0 452.607 3.181 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001304388188 1067445593 /nfs/dbraw/zinc/44/55/93/1067445593.db2.gz MTVGWQVUDMHWPO-UHFFFAOYSA-N 1 0 498.031 3.489 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001304388406 1067446040 /nfs/dbraw/zinc/44/60/40/1067446040.db2.gz CUESSPJRIZIJMT-RTWAWAEBSA-N 1 0 454.619 3.287 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001304388609 1067446611 /nfs/dbraw/zinc/44/66/11/1067446611.db2.gz QMCQLBJXEVPQMC-QFIPXVFZSA-N 1 0 481.645 3.267 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(-c2cnccn2)n1CCCOCC(F)F ZINC001302866352 1067447356 /nfs/dbraw/zinc/44/73/56/1067447356.db2.gz LNKPTKWSJYGFCI-GOSISDBHSA-N 1 0 457.529 3.118 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001304389421 1067448482 /nfs/dbraw/zinc/44/84/82/1067448482.db2.gz MPLNCKCQTLFAFJ-QFIPXVFZSA-N 1 0 495.672 3.152 20 0 JGADRO Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001304393117 1067453215 /nfs/dbraw/zinc/45/32/15/1067453215.db2.gz NXOPMYIFMRFXIX-PZJWPPBQSA-N 1 0 454.619 3.316 20 0 JGADRO Cc1ccc(OC(F)F)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC001304395379 1067456995 /nfs/dbraw/zinc/45/69/95/1067456995.db2.gz PYMGJIOZQTXKNA-IBGZPJMESA-N 1 0 476.572 3.439 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302877152 1067459731 /nfs/dbraw/zinc/45/97/31/1067459731.db2.gz SRGKLLYJCSVCAW-UHFFFAOYSA-N 1 0 472.600 3.494 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC001302882344 1067463905 /nfs/dbraw/zinc/46/39/05/1067463905.db2.gz IYFFULLBPNMEMF-BGYRXZFFSA-N 1 0 450.587 3.137 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001302882620 1067464425 /nfs/dbraw/zinc/46/44/25/1067464425.db2.gz KUWRFXZGUHVIPB-XDHUDOTRSA-N 1 0 491.036 3.111 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304402775 1067464647 /nfs/dbraw/zinc/46/46/47/1067464647.db2.gz VMJZJZRXQXWDHO-UHFFFAOYSA-N 1 0 457.619 3.139 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304402921 1067464650 /nfs/dbraw/zinc/46/46/50/1067464650.db2.gz BNMIDRWGPDZLEX-DHIUTWEWSA-N 1 0 457.619 3.138 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001304404876 1067467799 /nfs/dbraw/zinc/46/77/99/1067467799.db2.gz GPSCHNXDWACBRK-QFIPXVFZSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304405991 1067469522 /nfs/dbraw/zinc/46/95/22/1067469522.db2.gz FEPGMGJASNMTRZ-UYAOXDASSA-N 1 0 497.562 3.432 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001304406984 1067471154 /nfs/dbraw/zinc/47/11/54/1067471154.db2.gz LGEKZCWSIFBWHX-QHAWAJNXSA-N 1 0 459.660 3.343 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001302892319 1067472539 /nfs/dbraw/zinc/47/25/39/1067472539.db2.gz FXUROTFTIMNYQH-UHFFFAOYSA-N 1 0 478.682 3.065 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001304408732 1067473900 /nfs/dbraw/zinc/47/39/00/1067473900.db2.gz WPJPPDBTFFFKRF-FDFHNCONSA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001304409245 1067474331 /nfs/dbraw/zinc/47/43/31/1067474331.db2.gz ZFAVAJOPUFOKKT-SIKLNZKXSA-N 1 0 468.646 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCC(=O)N2)cc1C ZINC001304410581 1067477166 /nfs/dbraw/zinc/47/71/66/1067477166.db2.gz UAFAPCSUKNQYJN-JOCHJYFZSA-N 1 0 468.646 3.309 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001304411582 1067479577 /nfs/dbraw/zinc/47/95/77/1067479577.db2.gz DLQHAVOYPXDLFP-VWLOTQADSA-N 1 0 489.686 3.219 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304411613 1067479586 /nfs/dbraw/zinc/47/95/86/1067479586.db2.gz URQRTLQJBODNTN-PKTZIBPZSA-N 1 0 489.686 3.218 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3CCCOC3CCOCC3)CC2)C[C@H](C)O1 ZINC001302901044 1067484545 /nfs/dbraw/zinc/48/45/45/1067484545.db2.gz DAPBKAMWSFLBRT-OYRHEFFESA-N 1 0 477.694 3.487 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001304414695 1067484771 /nfs/dbraw/zinc/48/47/71/1067484771.db2.gz IUXNMVSEGBKUCX-JOCHJYFZSA-N 1 0 468.646 3.263 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(CC(C)(C)C)n3CCCCCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001302901761 1067485321 /nfs/dbraw/zinc/48/53/21/1067485321.db2.gz OEJYSUZOBNGBMR-OYRHEFFESA-N 1 0 497.750 3.407 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001304415194 1067485835 /nfs/dbraw/zinc/48/58/35/1067485835.db2.gz OGJHDSZKUOSFCT-LJQANCHMSA-N 1 0 458.607 3.173 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001304415971 1067487696 /nfs/dbraw/zinc/48/76/96/1067487696.db2.gz ULNLAZKFLYPFOW-QFIPXVFZSA-N 1 0 498.672 3.019 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCC(=O)N(C)C)cc1C ZINC001304416983 1067489274 /nfs/dbraw/zinc/48/92/74/1067489274.db2.gz RJYCDXXVMWFUEV-UHFFFAOYSA-N 1 0 468.646 3.407 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCOCC(F)F)cc1C ZINC001304417791 1067490887 /nfs/dbraw/zinc/49/08/87/1067490887.db2.gz CJZPKNWESOKQHC-FQEVSTJZSA-N 1 0 493.599 3.445 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302907001 1067491848 /nfs/dbraw/zinc/49/18/48/1067491848.db2.gz DNNAPVNDSLYRGO-KAOXLYBCSA-N 1 0 476.710 3.228 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001304419638 1067494070 /nfs/dbraw/zinc/49/40/70/1067494070.db2.gz OQZYQZVQWZXBLW-JOCHJYFZSA-N 1 0 480.613 3.366 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2COCCO2)cc1C ZINC001304419967 1067495292 /nfs/dbraw/zinc/49/52/92/1067495292.db2.gz RAQSZXOXXDWGJH-QHCPKHFHSA-N 1 0 471.646 3.448 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001302909909 1067495894 /nfs/dbraw/zinc/49/58/94/1067495894.db2.gz YGWFCZGBBWXFNS-JOCHJYFZSA-N 1 0 459.660 3.134 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(OC(F)F)c2)n1CCOCC[NH+](C)C ZINC001302910773 1067496741 /nfs/dbraw/zinc/49/67/41/1067496741.db2.gz NRAVPVYNMUEAOB-INIZCTEOSA-N 1 0 453.534 3.128 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304421725 1067497704 /nfs/dbraw/zinc/49/77/04/1067497704.db2.gz GEWSQNUAWHCTLB-NHCUHLMSSA-N 1 0 459.660 3.262 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001304423264 1067499972 /nfs/dbraw/zinc/49/99/72/1067499972.db2.gz VWPUQYVIUBNPJS-SJBKTWHCSA-N 1 0 470.618 3.077 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[NH+]1CCCC1 ZINC001302917446 1067500287 /nfs/dbraw/zinc/50/02/87/1067500287.db2.gz OAOJBADSDHVIHX-GOSISDBHSA-N 1 0 460.026 3.476 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001302922200 1067502126 /nfs/dbraw/zinc/50/21/26/1067502126.db2.gz BDNGCXKVNPHILD-GGAORHGYSA-N 1 0 488.702 3.001 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304427472 1067504402 /nfs/dbraw/zinc/50/44/02/1067504402.db2.gz FGLOHSWCEBVSBQ-OYRHEFFESA-N 1 0 481.645 3.390 20 0 JGADRO FC(F)(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001302926173 1067505124 /nfs/dbraw/zinc/50/51/24/1067505124.db2.gz ZVXOHPMECHECKF-MRXNPFEDSA-N 1 0 455.351 3.316 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302928266 1067505938 /nfs/dbraw/zinc/50/59/38/1067505938.db2.gz DNUHEENUUZOXNW-LEWJYISDSA-N 1 0 462.683 3.203 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304428490 1067505955 /nfs/dbraw/zinc/50/59/55/1067505955.db2.gz ISFHKEJPBUIHMT-VWNXMTODSA-N 1 0 471.646 3.353 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001304429566 1067506968 /nfs/dbraw/zinc/50/69/68/1067506968.db2.gz QUALIODSFLSCPI-GMAHTHKFSA-N 1 0 489.686 3.124 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001302933637 1067508491 /nfs/dbraw/zinc/50/84/91/1067508491.db2.gz OBTPEZSJVSDDDF-QFIPXVFZSA-N 1 0 488.702 3.247 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCCn1cc(Br)cn1 ZINC001302939966 1067513735 /nfs/dbraw/zinc/51/37/35/1067513735.db2.gz WRMIAGXSKPMXEG-IBGZPJMESA-N 1 0 494.482 3.075 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CCC[NH+]1CCCCC1 ZINC001302939802 1067513936 /nfs/dbraw/zinc/51/39/36/1067513936.db2.gz KZDGSPOCGMRTQE-UHFFFAOYSA-N 1 0 456.610 3.454 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001304434543 1067513970 /nfs/dbraw/zinc/51/39/70/1067513970.db2.gz WNAOOEDVKHJVAJ-PCCBWWKXSA-N 1 0 459.660 3.339 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302940317 1067514559 /nfs/dbraw/zinc/51/45/59/1067514559.db2.gz ZGFHMBJSOHZJJG-NRFANRHFSA-N 1 0 468.646 3.265 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302940281 1067514592 /nfs/dbraw/zinc/51/45/92/1067514592.db2.gz YKOSTBOBELCLAQ-XMMPIXPASA-N 1 0 462.708 3.143 20 0 JGADRO FC(F)(F)CSCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001302941589 1067515511 /nfs/dbraw/zinc/51/55/11/1067515511.db2.gz NXTAOZHUHLNEIO-KRWDZBQOSA-N 1 0 463.570 3.116 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCNC(=O)C2CC2)cc1 ZINC001304436887 1067515604 /nfs/dbraw/zinc/51/56/04/1067515604.db2.gz IQDXPFGZDPMYCK-UHFFFAOYSA-N 1 0 456.660 3.183 20 0 JGADRO FC(F)(F)CSCCn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302941115 1067515602 /nfs/dbraw/zinc/51/56/02/1067515602.db2.gz INNGTAGMDVDABS-QGZVFWFLSA-N 1 0 455.550 3.399 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302943344 1067516256 /nfs/dbraw/zinc/51/62/56/1067516256.db2.gz DYQAEUODGICJJH-XMMPIXPASA-N 1 0 466.674 3.488 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001304437221 1067516299 /nfs/dbraw/zinc/51/62/99/1067516299.db2.gz CAFSQVFCIFGZMP-HXUWFJFHSA-N 1 0 479.654 3.186 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccnc(OC2CCOCC2)c1 ZINC001302944751 1067517714 /nfs/dbraw/zinc/51/77/14/1067517714.db2.gz ABFMNYOICQNVRG-UHFFFAOYSA-N 1 0 456.635 3.398 20 0 JGADRO FC(F)C(F)(F)CN1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001302945331 1067518485 /nfs/dbraw/zinc/51/84/85/1067518485.db2.gz PBGIJWKYXSMGJI-UHFFFAOYSA-N 1 0 483.558 3.162 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302947787 1067520938 /nfs/dbraw/zinc/52/09/38/1067520938.db2.gz VQJITNJOSOWZPZ-LEWJYISDSA-N 1 0 478.682 3.279 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001304441073 1067521781 /nfs/dbraw/zinc/52/17/81/1067521781.db2.gz QPEGVQNZTDYAMB-NHCUHLMSSA-N 1 0 491.727 3.482 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304441441 1067522234 /nfs/dbraw/zinc/52/22/34/1067522234.db2.gz VFTTYGVZVLXIAK-NRFANRHFSA-N 1 0 469.659 3.321 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001302948897 1067522347 /nfs/dbraw/zinc/52/23/47/1067522347.db2.gz VRBPWXFUWBUAGB-FYYLOGMGSA-N 1 0 452.647 3.446 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302948987 1067522725 /nfs/dbraw/zinc/52/27/25/1067522725.db2.gz WMALDLNCSVLJEO-CEXWTWQISA-N 1 0 460.589 3.049 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302950534 1067524216 /nfs/dbraw/zinc/52/42/16/1067524216.db2.gz YBSORRNYHZYQRR-UHFFFAOYSA-N 1 0 451.594 3.447 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302954591 1067526529 /nfs/dbraw/zinc/52/65/29/1067526529.db2.gz GNSNHQWUVOKTCB-NHCUHLMSSA-N 1 0 458.626 3.299 20 0 JGADRO Cc1cccc(C)c1NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304447296 1067528294 /nfs/dbraw/zinc/52/82/94/1067528294.db2.gz QLZOJUWVVMJVIB-UHFFFAOYSA-N 1 0 495.672 3.214 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302958777 1067530449 /nfs/dbraw/zinc/53/04/49/1067530449.db2.gz JCGYISVDURBFIG-HSZRJFAPSA-N 1 0 487.737 3.122 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)n1 ZINC001304450369 1067531881 /nfs/dbraw/zinc/53/18/81/1067531881.db2.gz AHOKYRIKDZDRJK-TZIWHRDSSA-N 1 0 482.654 3.401 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC001304450367 1067531899 /nfs/dbraw/zinc/53/18/99/1067531899.db2.gz AHOKYRIKDZDRJK-FPOVZHCZSA-N 1 0 482.654 3.401 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001302961637 1067532796 /nfs/dbraw/zinc/53/27/96/1067532796.db2.gz PBHOJQMSNZUYNV-UHFFFAOYSA-N 1 0 468.568 3.150 20 0 JGADRO CC(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302962044 1067533084 /nfs/dbraw/zinc/53/30/84/1067533084.db2.gz TVCICVXHBROHOZ-UHFFFAOYSA-N 1 0 472.653 3.173 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001304452662 1067533670 /nfs/dbraw/zinc/53/36/70/1067533670.db2.gz WGEUKTVATIHHJV-REWPJTCUSA-N 1 0 482.654 3.355 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2CC[N@H+]2CC=CCC2)n1 ZINC001304452779 1067534038 /nfs/dbraw/zinc/53/40/38/1067534038.db2.gz GQXFFQVRAYFZFX-UHFFFAOYSA-N 1 0 467.524 3.264 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)n1 ZINC001304453686 1067535251 /nfs/dbraw/zinc/53/52/51/1067535251.db2.gz UWLPMDAYAJKDSS-OAQYLSRUSA-N 1 0 491.640 3.073 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC[C@H]1CCCCO1 ZINC001302965347 1067535366 /nfs/dbraw/zinc/53/53/66/1067535366.db2.gz RHGPQJQNRGKXOY-DNQXCXABSA-N 1 0 476.710 3.057 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001302965725 1067535787 /nfs/dbraw/zinc/53/57/87/1067535787.db2.gz ULTDBTYIBUCBHA-JOCHJYFZSA-N 1 0 476.616 3.034 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@](C)(O)c1ccccc1 ZINC001302965972 1067536430 /nfs/dbraw/zinc/53/64/30/1067536430.db2.gz MGRSTFXLUFCIST-NOTUOJBMSA-N 1 0 468.690 3.379 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CC[NH+]2CCSCC2)n1 ZINC001304456879 1067537557 /nfs/dbraw/zinc/53/75/57/1067537557.db2.gz UTIRNRZDUJHFRR-JGCGQSQUSA-N 1 0 470.668 3.071 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC3CN(C(=O)OCc4ccccc4)C3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304458705 1067538683 /nfs/dbraw/zinc/53/86/83/1067538683.db2.gz UTZRRXMZPXHURS-FQEVSTJZSA-N 1 0 477.613 3.303 20 0 JGADRO Fc1ccccc1Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCCOC(F)F ZINC001302970797 1067538888 /nfs/dbraw/zinc/53/88/88/1067538888.db2.gz OWHLVPSOYFCQOG-UHFFFAOYSA-N 1 0 467.536 3.186 20 0 JGADRO Fc1ccc(OCc2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCOC(F)(F)F)cc1 ZINC001302970734 1067538940 /nfs/dbraw/zinc/53/89/40/1067538940.db2.gz XBVXJDSRMUVLAF-QGZVFWFLSA-N 1 0 487.498 3.081 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001304460127 1067539481 /nfs/dbraw/zinc/53/94/81/1067539481.db2.gz QEXNWEYOWWAPBC-SZPZYZBQSA-N 1 0 469.678 3.316 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001304459995 1067539522 /nfs/dbraw/zinc/53/95/22/1067539522.db2.gz MRFRGNGCGFINEI-HXUWFJFHSA-N 1 0 455.632 3.221 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001302973167 1067540105 /nfs/dbraw/zinc/54/01/05/1067540105.db2.gz XNZQRBYVHZNXOT-XMMPIXPASA-N 1 0 454.663 3.156 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302972542 1067540308 /nfs/dbraw/zinc/54/03/08/1067540308.db2.gz POANNPBLCZSFHF-NLFFAJNJSA-N 1 0 457.667 3.473 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@H](N4CCOCC4)[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304464099 1067542200 /nfs/dbraw/zinc/54/22/00/1067542200.db2.gz JAKPATVYWJJIRF-URXFXBBRSA-N 1 0 469.678 3.314 20 0 JGADRO Cc1cccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304464105 1067542254 /nfs/dbraw/zinc/54/22/54/1067542254.db2.gz JAXPRUKJWJLKGG-LEWJYISDSA-N 1 0 461.614 3.226 20 0 JGADRO Cc1cccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304464109 1067542450 /nfs/dbraw/zinc/54/24/50/1067542450.db2.gz JAXPRUKJWJLKGG-RTWAWAEBSA-N 1 0 461.614 3.226 20 0 JGADRO Fc1ccccc1OCc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCOCC(F)F ZINC001302978709 1067543925 /nfs/dbraw/zinc/54/39/25/1067543925.db2.gz RSZFNAKLJFECGZ-KRWDZBQOSA-N 1 0 453.509 3.343 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001302977927 1067543974 /nfs/dbraw/zinc/54/39/74/1067543974.db2.gz XCSWKKIOEJHSHB-PKOBYXMFSA-N 1 0 457.579 3.457 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001304467784 1067546437 /nfs/dbraw/zinc/54/64/37/1067546437.db2.gz RGLDLEZUZOOCEL-TZIWHRDSSA-N 1 0 469.634 3.434 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(N(C)c4ccccc4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001304467881 1067546531 /nfs/dbraw/zinc/54/65/31/1067546531.db2.gz VJVBGNRADDVNHE-UHFFFAOYSA-N 1 0 463.630 3.332 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001304468503 1067547227 /nfs/dbraw/zinc/54/72/27/1067547227.db2.gz GFSRCTATUVGBFU-LJQANCHMSA-N 1 0 453.616 3.105 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001302990448 1067552019 /nfs/dbraw/zinc/55/20/19/1067552019.db2.gz FFXXPSCATPLMPE-NJYVYQBISA-N 1 0 488.702 3.208 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001302992237 1067553984 /nfs/dbraw/zinc/55/39/84/1067553984.db2.gz WHVRSXYKAWLBNX-REWPJTCUSA-N 1 0 488.702 3.405 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304475792 1067554060 /nfs/dbraw/zinc/55/40/60/1067554060.db2.gz RFJOQNJBQBLQLV-HXUWFJFHSA-N 1 0 482.654 3.182 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)n1 ZINC001304476997 1067555222 /nfs/dbraw/zinc/55/52/22/1067555222.db2.gz LUCGTKFWHCYWRF-UHFFFAOYSA-N 1 0 491.640 3.084 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304477348 1067555552 /nfs/dbraw/zinc/55/55/52/1067555552.db2.gz OOQUSZDIFAIWMH-QGZVFWFLSA-N 1 0 453.557 3.309 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304478230 1067556756 /nfs/dbraw/zinc/55/67/56/1067556756.db2.gz XZWIHRWKZCIKJB-SVFBPWRDSA-N 1 0 453.635 3.074 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304478353 1067556968 /nfs/dbraw/zinc/55/69/68/1067556968.db2.gz CMGHWDGMPRULHH-GOSISDBHSA-N 1 0 465.568 3.455 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001304478806 1067557601 /nfs/dbraw/zinc/55/76/01/1067557601.db2.gz LWBNIJFRPKWHKB-UNMCSNQZSA-N 1 0 467.662 3.462 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001304479215 1067558399 /nfs/dbraw/zinc/55/83/99/1067558399.db2.gz UEMJKHYSYYYWQU-FQEVSTJZSA-N 1 0 499.660 3.205 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCNC(=O)OC(C)(C)C)n1 ZINC001304479396 1067558630 /nfs/dbraw/zinc/55/86/30/1067558630.db2.gz SYQMYZDVLHICCR-UHFFFAOYSA-N 1 0 457.623 3.484 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC(F)(F)Br)n1 ZINC001304479550 1067559098 /nfs/dbraw/zinc/55/90/98/1067559098.db2.gz WCADTIHFDBCBCY-INIZCTEOSA-N 1 0 485.377 3.185 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CCCOC(C)C)n1 ZINC001304479853 1067559273 /nfs/dbraw/zinc/55/92/73/1067559273.db2.gz DMLKJZOMXDTSPB-DHIUTWEWSA-N 1 0 469.678 3.458 20 0 JGADRO Cc1cccc([C@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)c1 ZINC001304482804 1067562046 /nfs/dbraw/zinc/56/20/46/1067562046.db2.gz LWVSUKCVDYOKFR-AZUAARDMSA-N 1 0 460.648 3.023 20 0 JGADRO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001304483230 1067562302 /nfs/dbraw/zinc/56/23/02/1067562302.db2.gz UYSUJHZOSZMPCO-UHFFFAOYSA-N 1 0 455.651 3.311 20 0 JGADRO Cc1cccc(CC2(O)CCN(c3nnc([C@@H]4CCOC4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001304483876 1067563328 /nfs/dbraw/zinc/56/33/28/1067563328.db2.gz YAHCVAJAYOLUAH-HSZRJFAPSA-N 1 0 455.647 3.395 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001304484737 1067563599 /nfs/dbraw/zinc/56/35/99/1067563599.db2.gz FRBNYUPHQISCAQ-XMMPIXPASA-N 1 0 464.614 3.498 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001303009775 1067564471 /nfs/dbraw/zinc/56/44/71/1067564471.db2.gz RWUGOGANJAQQIR-SANMLTNESA-N 1 0 495.676 3.419 20 0 JGADRO Cc1cccc(CC2(O)CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3CCCCC3)CC2)c1 ZINC001304487672 1067565986 /nfs/dbraw/zinc/56/59/86/1067565986.db2.gz NTHCFRPDKVZQBO-UHFFFAOYSA-N 1 0 482.673 3.175 20 0 JGADRO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC001304489094 1067567452 /nfs/dbraw/zinc/56/74/52/1067567452.db2.gz CFJHYRTYAKNVJR-FCHUYYIVSA-N 1 0 467.662 3.453 20 0 JGADRO Cc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CC2)c1 ZINC001304497992 1067573481 /nfs/dbraw/zinc/57/34/81/1067573481.db2.gz KOCHGRXIVUISSE-UHFFFAOYSA-N 1 0 453.679 3.237 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001303021820 1067573804 /nfs/dbraw/zinc/57/38/04/1067573804.db2.gz MKXOOFQFVAGNQC-IECBHUPTSA-N 1 0 474.675 3.130 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303022232 1067574216 /nfs/dbraw/zinc/57/42/16/1067574216.db2.gz NLYDKHZIGULBPP-XMMPIXPASA-N 1 0 476.691 3.377 20 0 JGADRO NC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001303022993 1067575369 /nfs/dbraw/zinc/57/53/69/1067575369.db2.gz RQSWOKGXOZXRBN-SFHVURJKSA-N 1 0 475.435 3.285 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001304504099 1067578422 /nfs/dbraw/zinc/57/84/22/1067578422.db2.gz RDHKEJVMYBXFOU-HXUWFJFHSA-N 1 0 454.619 3.132 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CCC[NH+]2CCCC2)c1 ZINC001304504126 1067578571 /nfs/dbraw/zinc/57/85/71/1067578571.db2.gz RQPYEKYFWLVETD-LJQANCHMSA-N 1 0 494.562 3.156 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001304505010 1067578856 /nfs/dbraw/zinc/57/88/56/1067578856.db2.gz ZXWHNFSJYQFBPJ-DEOSSOPVSA-N 1 0 454.619 3.132 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCNC(=O)C(C)(C)C)c1 ZINC001304506882 1067580591 /nfs/dbraw/zinc/58/05/91/1067580591.db2.gz KONSHLGWVBSUKQ-OAQYLSRUSA-N 1 0 468.646 3.392 20 0 JGADRO NC(=O)C[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001303035280 1067581721 /nfs/dbraw/zinc/58/17/21/1067581721.db2.gz CNYOHAVXONQTQV-KRWDZBQOSA-N 1 0 475.435 3.285 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCCC(=O)N(C)C)c1 ZINC001304508373 1067582424 /nfs/dbraw/zinc/58/24/24/1067582424.db2.gz XBUXFPGPNNLPJQ-UHFFFAOYSA-N 1 0 468.646 3.489 20 0 JGADRO NC(=O)C[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCCC2)C1 ZINC001303037815 1067583134 /nfs/dbraw/zinc/58/31/34/1067583134.db2.gz WMRJJTNEMMHXOZ-INIZCTEOSA-N 1 0 478.439 3.004 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001304509696 1067584031 /nfs/dbraw/zinc/58/40/31/1067584031.db2.gz HGLCKGTWCKZNEA-FKBYEOEOSA-N 1 0 468.646 3.235 20 0 JGADRO CC(C)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303039986 1067585188 /nfs/dbraw/zinc/58/51/88/1067585188.db2.gz BJJBXAFUDADPMG-ICSRJNTNSA-N 1 0 454.685 3.168 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@]2(O)CCO[C@@H]2C)c1 ZINC001304511357 1067586868 /nfs/dbraw/zinc/58/68/68/1067586868.db2.gz ACRQOHMVHXJPNJ-RLWLMLJZSA-N 1 0 471.646 3.264 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(c4cnn(C)c4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001304511897 1067588257 /nfs/dbraw/zinc/58/82/57/1067588257.db2.gz JPVHNEZQNLARKH-JOCHJYFZSA-N 1 0 480.661 3.202 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001304512458 1067589235 /nfs/dbraw/zinc/58/92/35/1067589235.db2.gz PLIDKNCYJQFGPT-FGZHOGPDSA-N 1 0 468.646 3.343 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001303048956 1067590009 /nfs/dbraw/zinc/59/00/09/1067590009.db2.gz JEOAWBNUAKGTTB-LJQANCHMSA-N 1 0 461.680 3.452 20 0 JGADRO Cc1cccc(OCc2nnc(N3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304513825 1067591006 /nfs/dbraw/zinc/59/10/06/1067591006.db2.gz FIPRXKMMSFOPFM-MHPIHPPYSA-N 1 0 470.618 3.219 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001304513808 1067591089 /nfs/dbraw/zinc/59/10/89/1067591089.db2.gz DQXALFCQLJYAFX-LEWJYISDSA-N 1 0 459.660 3.344 20 0 JGADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001303050677 1067591197 /nfs/dbraw/zinc/59/11/97/1067591197.db2.gz XDRUSLWMVLCFJX-QGZVFWFLSA-N 1 0 459.940 3.303 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[NH+]1CCC(C)CC1 ZINC001303050194 1067591234 /nfs/dbraw/zinc/59/12/34/1067591234.db2.gz WWZVGZQTWBDOJX-UHFFFAOYSA-N 1 0 461.680 3.452 20 0 JGADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001304516551 1067592623 /nfs/dbraw/zinc/59/26/23/1067592623.db2.gz ZVDAEOGHOCAGBT-BHIFYINESA-N 1 0 457.619 3.016 20 0 JGADRO CC(=O)c1ccc(Nc2ccccc2C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001303054885 1067594069 /nfs/dbraw/zinc/59/40/69/1067594069.db2.gz XQNRGVFRSNXQKL-HSZRJFAPSA-N 1 0 450.583 3.159 20 0 JGADRO O=C(c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCSCC(F)(F)F)N1CCCC1 ZINC001303055835 1067594683 /nfs/dbraw/zinc/59/46/83/1067594683.db2.gz MSYTWRAVSGGDLV-KRWDZBQOSA-N 1 0 474.597 3.122 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCOCC[NH+](C)C ZINC001304520215 1067595661 /nfs/dbraw/zinc/59/56/61/1067595661.db2.gz PIIXORKFTYWNAK-SFHVURJKSA-N 1 0 454.575 3.090 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H](C)C[NH+]1CCCC1 ZINC001304523541 1067597815 /nfs/dbraw/zinc/59/78/15/1067597815.db2.gz KTAKJGFZKXQWGZ-QGZVFWFLSA-N 1 0 458.561 3.478 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001304524686 1067598252 /nfs/dbraw/zinc/59/82/52/1067598252.db2.gz JSLSXUZHTNXMKL-QFIPXVFZSA-N 1 0 484.689 3.016 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001304529030 1067601013 /nfs/dbraw/zinc/60/10/13/1067601013.db2.gz CMDUKNUKQOMPAC-UHFFFAOYSA-N 1 0 488.702 3.285 20 0 JGADRO O=C(Cn1c(C2CCC2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)NCC(F)(F)F ZINC001303069837 1067604342 /nfs/dbraw/zinc/60/43/42/1067604342.db2.gz KKTKDOJUASQESB-UHFFFAOYSA-N 1 0 456.557 3.317 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCSCC(F)(F)F ZINC001304534827 1067605416 /nfs/dbraw/zinc/60/54/16/1067605416.db2.gz IRIMBKPHBQWYHA-UHFFFAOYSA-N 1 0 496.603 3.293 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304535239 1067605788 /nfs/dbraw/zinc/60/57/88/1067605788.db2.gz NCNBLOSRTBGCFC-CPJSRVTESA-N 1 0 488.702 3.236 20 0 JGADRO O=C(Cn1c(-c2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1)NCC(F)(F)F ZINC001303071712 1067606143 /nfs/dbraw/zinc/60/61/43/1067606143.db2.gz JMIDUAHHVZIGJI-UHFFFAOYSA-N 1 0 468.499 3.217 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001304536505 1067607001 /nfs/dbraw/zinc/60/70/01/1067607001.db2.gz DNKXMGBPHICWPQ-UHFFFAOYSA-N 1 0 481.689 3.165 20 0 JGADRO O=C(Cn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1)NCC(F)(F)F ZINC001303072611 1067607275 /nfs/dbraw/zinc/60/72/75/1067607275.db2.gz ZRBPBFQKNCBQLI-UHFFFAOYSA-N 1 0 468.499 3.217 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001304542368 1067613265 /nfs/dbraw/zinc/61/32/65/1067613265.db2.gz JMIFQXBOQBDSDM-UHFFFAOYSA-N 1 0 452.647 3.261 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001304547944 1067616850 /nfs/dbraw/zinc/61/68/50/1067616850.db2.gz RQVQKQKNKKQXJQ-RBBKRZOGSA-N 1 0 459.660 3.065 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001304549237 1067618462 /nfs/dbraw/zinc/61/84/62/1067618462.db2.gz HTPMZLRVXFTIAL-WIYYLYMNSA-N 1 0 452.628 3.209 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001304551003 1067620338 /nfs/dbraw/zinc/62/03/38/1067620338.db2.gz MOEGZHUTYUMOLW-AREMUKBSSA-N 1 0 454.663 3.209 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001304551014 1067620501 /nfs/dbraw/zinc/62/05/01/1067620501.db2.gz NSULYPPXYQNCRE-QHCPKHFHSA-N 1 0 496.700 3.373 20 0 JGADRO O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc(CCc3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001303088123 1067622097 /nfs/dbraw/zinc/62/20/97/1067622097.db2.gz MNXFWJINMSVIPP-NRFANRHFSA-N 1 0 492.590 3.444 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001304552921 1067622535 /nfs/dbraw/zinc/62/25/35/1067622535.db2.gz MCWLVDTURZCVAO-RUZDIDTESA-N 1 0 496.700 3.107 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304556875 1067625626 /nfs/dbraw/zinc/62/56/26/1067625626.db2.gz NNVUKJQPMVMAEU-LSWJPFSZSA-N 1 0 473.687 3.311 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556775 1067625660 /nfs/dbraw/zinc/62/56/60/1067625660.db2.gz NUXKCQTYTMZACL-VXKWHMMOSA-N 1 0 473.687 3.313 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556773 1067625678 /nfs/dbraw/zinc/62/56/78/1067625678.db2.gz NUXKCQTYTMZACL-FGZHOGPDSA-N 1 0 473.687 3.313 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556771 1067625711 /nfs/dbraw/zinc/62/57/11/1067625711.db2.gz NUXKCQTYTMZACL-FCHUYYIVSA-N 1 0 473.687 3.313 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccccn3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001303089943 1067626283 /nfs/dbraw/zinc/62/62/83/1067626283.db2.gz JWWXMTGFCWZFFL-NRFANRHFSA-N 1 0 474.675 3.112 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001304557670 1067626555 /nfs/dbraw/zinc/62/65/55/1067626555.db2.gz UUBBFSVKLQXGJQ-QHCPKHFHSA-N 1 0 496.700 3.155 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001304558215 1067626792 /nfs/dbraw/zinc/62/67/92/1067626792.db2.gz XKQSFGOHEQJPOV-OAQYLSRUSA-N 1 0 452.647 3.391 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001303090822 1067627451 /nfs/dbraw/zinc/62/74/51/1067627451.db2.gz FAVBZFNRPRIRKI-SANMLTNESA-N 1 0 464.614 3.468 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N(C)Cc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001303090821 1067627466 /nfs/dbraw/zinc/62/74/66/1067627466.db2.gz FAVBZFNRPRIRKI-AREMUKBSSA-N 1 0 464.614 3.468 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001303090924 1067627475 /nfs/dbraw/zinc/62/74/75/1067627475.db2.gz HSFGBQMDDAGIHI-NRFANRHFSA-N 1 0 456.610 3.078 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001304558791 1067627968 /nfs/dbraw/zinc/62/79/68/1067627968.db2.gz GQEBYYFFLSJKHE-UHFFFAOYSA-N 1 0 494.606 3.099 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCNC(=O)C(C)C ZINC001304559349 1067628375 /nfs/dbraw/zinc/62/83/75/1067628375.db2.gz JUFOJDCHVONJAX-HXUWFJFHSA-N 1 0 452.647 3.260 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001303091524 1067628506 /nfs/dbraw/zinc/62/85/06/1067628506.db2.gz UYMMANAGFNJLOE-QFIPXVFZSA-N 1 0 466.674 3.488 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCN(C)CC(F)(F)F ZINC001304560329 1067629884 /nfs/dbraw/zinc/62/98/84/1067629884.db2.gz RXLTWHYGNCQNFG-OAQYLSRUSA-N 1 0 494.606 3.220 20 0 JGADRO Cc1nc(CN2CCN(c3nnc(Cc4ccccc4C)n3C[C@@H](C)[NH+](C)C)CC2)oc1C ZINC001304560213 1067629929 /nfs/dbraw/zinc/62/99/29/1067629929.db2.gz DVANCFJCBWFRTI-LJQANCHMSA-N 1 0 451.619 3.054 20 0 JGADRO 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Cc1ccccc1CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304562558 1067633054 /nfs/dbraw/zinc/63/30/54/1067633054.db2.gz GIQHWCVRWOWREX-NRFANRHFSA-N 1 0 481.563 3.424 20 0 JGADRO Cc1ccccc1CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304562559 1067633064 /nfs/dbraw/zinc/63/30/64/1067633064.db2.gz GIQHWCVRWOWREX-OAQYLSRUSA-N 1 0 481.563 3.424 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)N1CCOCC1 ZINC001304562469 1067633088 /nfs/dbraw/zinc/63/30/88/1067633088.db2.gz WMAISVBPGBJENO-QHCPKHFHSA-N 1 0 468.690 3.456 20 0 JGADRO Cc1ccccc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304567070 1067635307 /nfs/dbraw/zinc/63/53/07/1067635307.db2.gz GIYBVZGTALRINF-SXWKCWPCSA-N 1 0 473.687 3.493 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001303099847 1067637897 /nfs/dbraw/zinc/63/78/97/1067637897.db2.gz BEGGZKNJGBVXAY-LEWJYISDSA-N 1 0 468.646 3.427 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCN(C)CC(F)(F)F)CC1 ZINC001304570353 1067638374 /nfs/dbraw/zinc/63/83/74/1067638374.db2.gz LHQQDNRROKIYKG-UHFFFAOYSA-N 1 0 487.574 3.389 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CC(C)(C)O)cc1 ZINC001303101286 1067639833 /nfs/dbraw/zinc/63/98/33/1067639833.db2.gz JMZURPVMELTYFW-NRFANRHFSA-N 1 0 471.646 3.299 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CC(C)(C)O)cc1 ZINC001303101289 1067639879 /nfs/dbraw/zinc/63/98/79/1067639879.db2.gz JMZURPVMELTYFW-OAQYLSRUSA-N 1 0 471.646 3.299 20 0 JGADRO Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001304572436 1067641146 /nfs/dbraw/zinc/64/11/46/1067641146.db2.gz GXJYCHKYIOWVGF-FCHUYYIVSA-N 1 0 482.673 3.385 20 0 JGADRO C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCCC3(O)CC[NH+](Cc4ccccc4)CC3)c2N1 ZINC001303104312 1067642526 /nfs/dbraw/zinc/64/25/26/1067642526.db2.gz ZZMMHVIMEYBGAH-VQIMIIECSA-N 1 0 465.520 3.338 20 0 JGADRO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001304576290 1067644834 /nfs/dbraw/zinc/64/48/34/1067644834.db2.gz BNUQKZCHVJMEOF-FQEVSTJZSA-N 1 0 450.587 3.132 20 0 JGADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001304577881 1067646127 /nfs/dbraw/zinc/64/61/27/1067646127.db2.gz PLRREMRHLDVYAQ-OAQYLSRUSA-N 1 0 489.686 3.268 20 0 JGADRO CC(C)CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001303109854 1067647788 /nfs/dbraw/zinc/64/77/88/1067647788.db2.gz NRLWIYQYIPQYOS-UHFFFAOYSA-N 1 0 460.667 3.422 20 0 JGADRO CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001303110379 1067648527 /nfs/dbraw/zinc/64/85/27/1067648527.db2.gz UMJLNMRQWRUHJN-UXHICEINSA-N 1 0 455.607 3.051 20 0 JGADRO CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303110380 1067648609 /nfs/dbraw/zinc/64/86/09/1067648609.db2.gz UMJLNMRQWRUHJN-VQTJNVASSA-N 1 0 455.607 3.051 20 0 JGADRO CC(C)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001303111511 1067649572 /nfs/dbraw/zinc/64/95/72/1067649572.db2.gz AAPYCPADIABTHN-UHFFFAOYSA-N 1 0 489.064 3.406 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC=C(C)C2)[NH+]2CCCC2)cc1 ZINC001304585946 1067654607 /nfs/dbraw/zinc/65/46/07/1067654607.db2.gz XPHNOCLASSZTAX-IRLDBZIGSA-N 1 0 472.659 3.190 20 0 JGADRO CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCSCC2)C1 ZINC001304586274 1067655045 /nfs/dbraw/zinc/65/50/45/1067655045.db2.gz XAVSTNISQWKNDY-UHFFFAOYSA-N 1 0 451.438 3.251 20 0 JGADRO CC(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303117339 1067655117 /nfs/dbraw/zinc/65/51/17/1067655117.db2.gz CRXHJMFCCVZXAB-HXUWFJFHSA-N 1 0 463.026 3.357 20 0 JGADRO O=S1(=O)CC[C@@H](c2nnc(N(CCC(F)(F)F)CC3CC3)n2CCC[NH+]2CCCCC2)C1 ZINC001303119561 1067658623 /nfs/dbraw/zinc/65/86/23/1067658623.db2.gz DVUJCTSHYXJIRN-GOSISDBHSA-N 1 0 477.597 3.225 20 0 JGADRO 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OC[C@@H]1CCC[N@@H+]1CCCCn1c(C2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001303144705 1067683880 /nfs/dbraw/zinc/68/38/80/1067683880.db2.gz UFWDMYOETHZHKJ-FQEVSTJZSA-N 1 0 472.600 3.247 20 0 JGADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(-c2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303144977 1067684257 /nfs/dbraw/zinc/68/42/57/1067684257.db2.gz XBULAWWQWAHFLS-GOSISDBHSA-N 1 0 484.542 3.005 20 0 JGADRO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C(C)C ZINC001303146566 1067684832 /nfs/dbraw/zinc/68/48/32/1067684832.db2.gz KZYWLHMCWYXZIB-XMMPIXPASA-N 1 0 482.673 3.390 20 0 JGADRO CC(C)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)[NH+]1CCC(C)CC1)C1CCCC1 ZINC001303147765 1067686668 /nfs/dbraw/zinc/68/66/68/1067686668.db2.gz YDLKEDRDDYFISK-WOJBJXKFSA-N 1 0 468.712 3.414 20 0 JGADRO OCCCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303148851 1067687097 /nfs/dbraw/zinc/68/70/97/1067687097.db2.gz BBAXKDOVCOHJJI-IBGZPJMESA-N 1 0 463.026 3.095 20 0 JGADRO 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CC(C)[N@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001303277916 1067805362 /nfs/dbraw/zinc/80/53/62/1067805362.db2.gz XMBGBXFNTKJELD-UHFFFAOYSA-N 1 0 481.620 3.491 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001303278070 1067805934 /nfs/dbraw/zinc/80/59/34/1067805934.db2.gz YKOYMRVMJXGGIN-QZTJIDSGSA-N 1 0 476.025 3.026 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001303278495 1067807164 /nfs/dbraw/zinc/80/71/64/1067807164.db2.gz GMKFEANNBZIAMH-UHFFFAOYSA-N 1 0 493.450 3.052 20 0 JGADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(Cc4c(F)cccc4F)n3CCOCC[NH+](C)C)C2)n1 ZINC001304733947 1067807702 /nfs/dbraw/zinc/80/77/02/1067807702.db2.gz LRUQBABVZOPOGQ-HXUWFJFHSA-N 1 0 487.599 3.380 20 0 JGADRO CC(C)N(Cc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCOCC1 ZINC001303282056 1067809845 /nfs/dbraw/zinc/80/98/45/1067809845.db2.gz PRMQULUQZNQIBX-UHFFFAOYSA-N 1 0 467.574 3.044 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001304736508 1067810645 /nfs/dbraw/zinc/81/06/45/1067810645.db2.gz MEXGJKOUWVTIBQ-PMACEKPBSA-N 1 0 499.685 3.223 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001304739473 1067813159 /nfs/dbraw/zinc/81/31/59/1067813159.db2.gz DHMMQRVVBUVHGO-PMACEKPBSA-N 1 0 492.672 3.243 20 0 JGADRO CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001303290899 1067814879 /nfs/dbraw/zinc/81/48/79/1067814879.db2.gz HIBWHEGNEOCHJY-FQEVSTJZSA-N 1 0 491.681 3.126 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001303290885 1067815017 /nfs/dbraw/zinc/81/50/17/1067815017.db2.gz GVSNAAJAEZPEQV-IBGZPJMESA-N 1 0 450.653 3.186 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1COc2ccccc2O1)C(C)C ZINC001303291152 1067815156 /nfs/dbraw/zinc/81/51/56/1067815156.db2.gz CYOOSOYYUYRRDP-WOJBJXKFSA-N 1 0 470.618 3.014 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001303291543 1067815626 /nfs/dbraw/zinc/81/56/26/1067815626.db2.gz JMPCZEOZRHVWFN-NHCUHLMSSA-N 1 0 494.681 3.021 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)C(C)C ZINC001303291568 1067816161 /nfs/dbraw/zinc/81/61/61/1067816161.db2.gz KEDRNXMRAMQKCW-DHIUTWEWSA-N 1 0 456.635 3.157 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)C(C)C ZINC001303291780 1067816538 /nfs/dbraw/zinc/81/65/38/1067816538.db2.gz NOFSHZMNJUYCQB-FGZHOGPDSA-N 1 0 460.667 3.272 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1)C(C)C ZINC001303291814 1067816698 /nfs/dbraw/zinc/81/66/98/1067816698.db2.gz OQOZBFSTWHHHHJ-FQEVSTJZSA-N 1 0 477.650 3.391 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)c2ccccc2C1)C(C)C ZINC001303292346 1067817445 /nfs/dbraw/zinc/81/74/45/1067817445.db2.gz XRMHXWNUVLCUMB-OAQYLSRUSA-N 1 0 453.635 3.195 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C(N)=O)C1)C(C)C ZINC001303292327 1067817556 /nfs/dbraw/zinc/81/75/56/1067817556.db2.gz DVLYQYXVCXFAEJ-HNNXBMFYSA-N 1 0 481.414 3.277 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccco3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001304741321 1067817750 /nfs/dbraw/zinc/81/77/50/1067817750.db2.gz HTVWECHYURKAGH-WOJBJXKFSA-N 1 0 455.607 3.257 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001303292378 1067818010 /nfs/dbraw/zinc/81/80/10/1067818010.db2.gz YKRVFYHRWYQGRD-UHFFFAOYSA-N 1 0 491.706 3.362 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001304741810 1067818207 /nfs/dbraw/zinc/81/82/07/1067818207.db2.gz ANIRUVGJJDGOSU-IBGZPJMESA-N 1 0 474.057 3.283 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1)C(C)C ZINC001303292633 1067818231 /nfs/dbraw/zinc/81/82/31/1067818231.db2.gz KYAQNIKFEGEOSD-UHFFFAOYSA-N 1 0 463.424 3.105 20 0 JGADRO CC(C)[NH+](CCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001303292574 1067818358 /nfs/dbraw/zinc/81/83/58/1067818358.db2.gz IZPBVONFHJUTNG-QFIPXVFZSA-N 1 0 486.686 3.413 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1COc2ccccc2O1)C(C)C ZINC001303292961 1067818657 /nfs/dbraw/zinc/81/86/57/1067818657.db2.gz WVGSESDHYLDWQB-FQEVSTJZSA-N 1 0 493.612 3.320 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001304741908 1067818714 /nfs/dbraw/zinc/81/87/14/1067818714.db2.gz XTAZAJCZGALFSE-HXUWFJFHSA-N 1 0 490.578 3.349 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C ZINC001303295306 1067818943 /nfs/dbraw/zinc/81/89/43/1067818943.db2.gz AGELBRXGHLHHRH-IBGZPJMESA-N 1 0 467.622 3.043 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001304742479 1067819492 /nfs/dbraw/zinc/81/94/92/1067819492.db2.gz BWYFOPXKTHFPKD-ROUUACIJSA-N 1 0 457.545 3.028 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001304742478 1067819667 /nfs/dbraw/zinc/81/96/67/1067819667.db2.gz BWYFOPXKTHFPKD-QZTJIDSGSA-N 1 0 457.545 3.028 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CCN(c2ncc(F)cn2)CC1)C(C)C ZINC001303296366 1067820073 /nfs/dbraw/zinc/82/00/73/1067820073.db2.gz GXELUMLAYQNOAR-UHFFFAOYSA-N 1 0 472.638 3.305 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1)C(C)C ZINC001303295987 1067820167 /nfs/dbraw/zinc/82/01/67/1067820167.db2.gz OMFGKJIPWIVELZ-UHFFFAOYSA-N 1 0 475.641 3.350 20 0 JGADRO CC(C)[NH+](CCn1c(CC2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)C(C)C ZINC001303297159 1067821317 /nfs/dbraw/zinc/82/13/17/1067821317.db2.gz OOOOZEWOAPSSER-QFIPXVFZSA-N 1 0 480.723 3.134 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccon1)C(C)C ZINC001303298029 1067822343 /nfs/dbraw/zinc/82/23/43/1067822343.db2.gz ZYWGVKNVXWGYIJ-FQEVSTJZSA-N 1 0 491.637 3.330 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)C(C)C ZINC001303298216 1067822742 /nfs/dbraw/zinc/82/27/42/1067822742.db2.gz QAPKHVDQKGCVNI-QGZVFWFLSA-N 1 0 464.552 3.271 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1)C(C)C ZINC001303298309 1067822900 /nfs/dbraw/zinc/82/29/00/1067822900.db2.gz KVRUFGWJMFLCDB-UHFFFAOYSA-N 1 0 492.628 3.313 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)C(C)C ZINC001303298296 1067822939 /nfs/dbraw/zinc/82/29/39/1067822939.db2.gz KPVNFQLJIGCJHT-JGCGQSQUSA-N 1 0 455.632 3.228 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1)C(C)C ZINC001303298269 1067823232 /nfs/dbraw/zinc/82/32/32/1067823232.db2.gz KDGYPARIWZRFMQ-QFIPXVFZSA-N 1 0 460.667 3.477 20 0 JGADRO CC(C)[NH+](CCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001303298425 1067823387 /nfs/dbraw/zinc/82/33/87/1067823387.db2.gz UKAVVCUULQPDDU-LJQANCHMSA-N 1 0 463.652 3.039 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1)C(C)C ZINC001303298940 1067824101 /nfs/dbraw/zinc/82/41/01/1067824101.db2.gz OKGYQMBHTSEMMS-SFHVURJKSA-N 1 0 469.602 3.214 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)C(C)C ZINC001303299713 1067824509 /nfs/dbraw/zinc/82/45/09/1067824509.db2.gz YOYFRDPYZDKBNN-NRFANRHFSA-N 1 0 469.556 3.384 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001303301492 1067825586 /nfs/dbraw/zinc/82/55/86/1067825586.db2.gz IMQPWTDURDGRAY-YKSBVNFPSA-N 1 0 463.667 3.049 20 0 JGADRO Cc1ccc(S(=O)(=O)C2CCN(C(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC001303301390 1067825609 /nfs/dbraw/zinc/82/56/09/1067825609.db2.gz USTPAJKTLVIPSK-JYRVWZFOSA-N 1 0 456.608 3.414 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001303301667 1067825990 /nfs/dbraw/zinc/82/59/90/1067825990.db2.gz MKNPIQFXPSVDDZ-FQEVSTJZSA-N 1 0 499.660 3.021 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccnc3)nnc2N(C)CCOc2ccccc2F)CC1 ZINC001303301948 1067826363 /nfs/dbraw/zinc/82/63/63/1067826363.db2.gz WXYHLRKPVUSIDX-UHFFFAOYSA-N 1 0 468.577 3.230 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CC3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001303301895 1067826388 /nfs/dbraw/zinc/82/63/88/1067826388.db2.gz UNQVPXWDTDKEBW-LJQANCHMSA-N 1 0 476.666 3.132 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccccc3Br)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001303301924 1067826451 /nfs/dbraw/zinc/82/64/51/1067826451.db2.gz VMXWJHBVKNRLDD-SFHVURJKSA-N 1 0 492.462 3.416 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001303302348 1067827281 /nfs/dbraw/zinc/82/72/81/1067827281.db2.gz HZDFJAJCWRBFBU-FQEVSTJZSA-N 1 0 492.615 3.435 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001303302355 1067827339 /nfs/dbraw/zinc/82/73/39/1067827339.db2.gz IAKPIJRDLQMNDA-SFHVURJKSA-N 1 0 495.093 3.237 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N3CCN(C(=O)C4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001303302852 1067827609 /nfs/dbraw/zinc/82/76/09/1067827609.db2.gz OKGOPBCBZMQHPT-UHFFFAOYSA-N 1 0 474.694 3.040 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001303302652 1067827655 /nfs/dbraw/zinc/82/76/55/1067827655.db2.gz AJSUUGNDRSMMPF-INIZCTEOSA-N 1 0 467.540 3.147 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303302951 1067828189 /nfs/dbraw/zinc/82/81/89/1067828189.db2.gz CXBZTXCMDHPXBN-FHWLQOOXSA-N 1 0 486.583 3.145 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001303303495 1067829367 /nfs/dbraw/zinc/82/93/67/1067829367.db2.gz WOZBOEDVEFHVIW-QZTJIDSGSA-N 1 0 489.462 3.495 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@H+](C)Cc2ccccc2)n1 ZINC001304749998 1067830046 /nfs/dbraw/zinc/83/00/46/1067830046.db2.gz HHDVLCQZMHPAHX-OAQYLSRUSA-N 1 0 451.619 3.275 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001303304114 1067830428 /nfs/dbraw/zinc/83/04/28/1067830428.db2.gz CFPYRRQUSWKWHS-QUCCMNQESA-N 1 0 496.077 3.254 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303304498 1067831378 /nfs/dbraw/zinc/83/13/78/1067831378.db2.gz HSLWCORINAJKIF-LEWJYISDSA-N 1 0 476.666 3.081 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001303305997 1067834495 /nfs/dbraw/zinc/83/44/95/1067834495.db2.gz XSDDASDUXMWBHC-KRWDZBQOSA-N 1 0 471.547 3.416 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001304753726 1067834844 /nfs/dbraw/zinc/83/48/44/1067834844.db2.gz FZDLZUKNWLSEPF-GOSISDBHSA-N 1 0 482.460 3.276 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304753866 1067835237 /nfs/dbraw/zinc/83/52/37/1067835237.db2.gz LWCCCQNBASRYGU-APWZRJJASA-N 1 0 483.583 3.154 20 0 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CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001303313269 1067842529 /nfs/dbraw/zinc/84/25/29/1067842529.db2.gz NYFHLWYCZXGQOL-FQEVSTJZSA-N 1 0 483.617 3.155 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(-c4ccccc4Cl)n3CCC(=O)N(C)C)CC2)CC1 ZINC001303316567 1067843956 /nfs/dbraw/zinc/84/39/56/1067843956.db2.gz FBQJEDGTDXXGCH-UHFFFAOYSA-N 1 0 488.080 3.072 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001303316812 1067844314 /nfs/dbraw/zinc/84/43/14/1067844314.db2.gz JWCRKNRXMWGFND-ROUUACIJSA-N 1 0 456.557 3.300 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC=CCC2)CC1 ZINC001303316741 1067844345 /nfs/dbraw/zinc/84/43/45/1067844345.db2.gz CABKHOAOCWKABS-RTWAWAEBSA-N 1 0 474.650 3.473 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCCOC(F)F)n1 ZINC001304759446 1067844788 /nfs/dbraw/zinc/84/47/88/1067844788.db2.gz MBLMHXXMEXGWQG-UHFFFAOYSA-N 1 0 451.566 3.224 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCCCC[NH+]2CCCCC2)n1 ZINC001304759392 1067844905 /nfs/dbraw/zinc/84/49/05/1067844905.db2.gz JPBMANCXPRWMPF-UHFFFAOYSA-N 1 0 498.720 3.491 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CC3CC3)n2CCCCn2cc(Br)cn2)CC1 ZINC001303316896 1067844938 /nfs/dbraw/zinc/84/49/38/1067844938.db2.gz FFWOKMJOHZDGOW-UHFFFAOYSA-N 1 0 450.429 3.200 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001303317032 1067845529 /nfs/dbraw/zinc/84/55/29/1067845529.db2.gz NDOCZYCBNULXJL-SANMLTNESA-N 1 0 468.646 3.163 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001303317468 1067846376 /nfs/dbraw/zinc/84/63/76/1067846376.db2.gz PDAUBFAGMGTTBW-OAQYLSRUSA-N 1 0 469.634 3.194 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(-c4ccccc4)n3CC[S@@](=O)C(C)(C)C)CC2)CC1 ZINC001303317483 1067846552 /nfs/dbraw/zinc/84/65/52/1067846552.db2.gz WXVMZNOZYUKFFU-UUWRZZSWSA-N 1 0 486.730 3.487 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CCCNc3ccccn3)C2)CC1 ZINC001303317513 1067846579 /nfs/dbraw/zinc/84/65/79/1067846579.db2.gz XYVXQDZMRVFGDY-OAQYLSRUSA-N 1 0 454.667 3.078 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3ccsc3)C2)CC1 ZINC001303317766 1067847491 /nfs/dbraw/zinc/84/74/91/1067847491.db2.gz CRCCYECCGBKRBJ-OFVILXPXSA-N 1 0 474.719 3.441 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccsc4)n3CCCOC(F)(F)F)C2)CC1 ZINC001303318047 1067848125 /nfs/dbraw/zinc/84/81/25/1067848125.db2.gz HZAKWARSUUZUPU-IBGZPJMESA-N 1 0 486.608 3.462 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C4CCCC4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001303317941 1067848138 /nfs/dbraw/zinc/84/81/38/1067848138.db2.gz FZGOGWPUNBERMX-LJQANCHMSA-N 1 0 490.590 3.457 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCSC3)CC2)C1 ZINC001303318062 1067848564 /nfs/dbraw/zinc/84/85/64/1067848564.db2.gz ICRZKIOCMQOVQL-FGZHOGPDSA-N 1 0 478.751 3.241 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(Cc4ccccc4F)n3CCOCC(F)F)CC2)CC1 ZINC001303318393 1067849100 /nfs/dbraw/zinc/84/91/00/1067849100.db2.gz QOQMVXIMIYULMC-UHFFFAOYSA-N 1 0 494.606 3.285 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(CC4CC4)n3CCCN(C)CC(F)(F)F)CC2)CC1 ZINC001303318523 1067849489 /nfs/dbraw/zinc/84/94/89/1067849489.db2.gz UEAQWAPQESNQAE-UHFFFAOYSA-N 1 0 485.643 3.110 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCCCC[NH+]2CCCC2)n1 ZINC001304763539 1067851719 /nfs/dbraw/zinc/85/17/19/1067851719.db2.gz KKKFOZPJEQWRHU-NRFANRHFSA-N 1 0 496.626 3.479 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001304763699 1067852109 /nfs/dbraw/zinc/85/21/09/1067852109.db2.gz RJSJRVUXXQNOLA-GOTSBHOMSA-N 1 0 469.609 3.443 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCCCC[NH+]2CCCC2)n1 ZINC001304764249 1067852607 /nfs/dbraw/zinc/85/26/07/1067852607.db2.gz NNUUJDDAVQTCKX-UHFFFAOYSA-N 1 0 482.599 3.090 20 0 JGADRO 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CC(C)NC(=O)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001303390552 1067919846 /nfs/dbraw/zinc/91/98/46/1067919846.db2.gz WYKRTDLEQYHNTB-RTBURBONSA-N 1 0 482.551 3.267 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001303390551 1067919881 /nfs/dbraw/zinc/91/98/81/1067919881.db2.gz WYKRTDLEQYHNTB-RBUKOAKNSA-N 1 0 482.551 3.267 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001303390643 1067920222 /nfs/dbraw/zinc/92/02/22/1067920222.db2.gz XNVBQHOSJLAQEV-LJQANCHMSA-N 1 0 482.551 3.096 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001303396398 1067923773 /nfs/dbraw/zinc/92/37/73/1067923773.db2.gz CQFJQSSXPJFKEF-UHFFFAOYSA-N 1 0 467.662 3.180 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001303396520 1067923818 /nfs/dbraw/zinc/92/38/18/1067923818.db2.gz JHSMURKALUDZOY-UHFFFAOYSA-N 1 0 468.524 3.284 20 0 JGADRO Cc1noc(C)c1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001304879753 1067924223 /nfs/dbraw/zinc/92/42/23/1067924223.db2.gz QPPNHOQPRHHBLR-NRFANRHFSA-N 1 0 471.650 3.356 20 0 JGADRO Cc1noc(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001304880033 1067925030 /nfs/dbraw/zinc/92/50/30/1067925030.db2.gz BVFRTGPHQVQRAN-QFIPXVFZSA-N 1 0 465.602 3.495 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001303397220 1067925515 /nfs/dbraw/zinc/92/55/15/1067925515.db2.gz FWAPKUSQOPDXRO-RBUKOAKNSA-N 1 0 496.582 3.156 20 0 JGADRO Cc1noc(C)c1CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001304881254 1067925932 /nfs/dbraw/zinc/92/59/32/1067925932.db2.gz KJTLVBDVAILEPB-OAQYLSRUSA-N 1 0 474.569 3.470 20 0 JGADRO Cc1noc(C)c1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C(C)C ZINC001304883952 1067928367 /nfs/dbraw/zinc/92/83/67/1067928367.db2.gz HXMDRKRVNBUPQA-FQEVSTJZSA-N 1 0 491.637 3.168 20 0 JGADRO CC[S@](=O)c1ccccc1C(=O)NCCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303401187 1067929279 /nfs/dbraw/zinc/92/92/79/1067929279.db2.gz BGCVQOMJBHSMOM-HKBQPEDESA-N 1 0 451.633 3.267 20 0 JGADRO CC(C)(C)OCc1cc(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC001303403095 1067931962 /nfs/dbraw/zinc/93/19/62/1067931962.db2.gz YDIXQXZKLKBESA-UHFFFAOYSA-N 1 0 452.596 3.443 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001303405214 1067933399 /nfs/dbraw/zinc/93/33/99/1067933399.db2.gz LUSCSIPPPFIKKG-NRFANRHFSA-N 1 0 474.053 3.047 20 0 JGADRO Cc1noc(C2(C)CCN(c3nnc(CC(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC001304890179 1067934395 /nfs/dbraw/zinc/93/43/95/1067934395.db2.gz XSCOOIDDKTXAGL-HXUWFJFHSA-N 1 0 459.639 3.083 20 0 JGADRO Cc1noc(C2(C)CCN(c3nnc(COc4ccccc4F)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001304890165 1067934452 /nfs/dbraw/zinc/93/44/52/1067934452.db2.gz XHBROSQCKASBFA-MRXNPFEDSA-N 1 0 457.554 3.196 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303407568 1067934494 /nfs/dbraw/zinc/93/44/94/1067934494.db2.gz GQWWWLVWZIFKCN-XMMPIXPASA-N 1 0 499.679 3.388 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303407567 1067934509 /nfs/dbraw/zinc/93/45/09/1067934509.db2.gz GQWWWLVWZIFKCN-DEOSSOPVSA-N 1 0 499.679 3.388 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C/C=C/c1ccccc1 ZINC001303410584 1067936955 /nfs/dbraw/zinc/93/69/55/1067936955.db2.gz VJKWPEAXLNWPTL-MGVRZVOUSA-N 1 0 479.673 3.125 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303413853 1067939739 /nfs/dbraw/zinc/93/97/39/1067939739.db2.gz FILJEAZRLQOPJX-LVXARBLLSA-N 1 0 468.646 3.433 20 0 JGADRO Cc1cc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CC2)on1 ZINC001304899843 1067943707 /nfs/dbraw/zinc/94/37/07/1067943707.db2.gz JBGCRJZGCDUNTJ-HXUWFJFHSA-N 1 0 457.648 3.460 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303416046 1067943725 /nfs/dbraw/zinc/94/37/25/1067943725.db2.gz ZSSXIGKQZDBYIT-OAQYLSRUSA-N 1 0 490.599 3.394 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001303417005 1067944887 /nfs/dbraw/zinc/94/48/87/1067944887.db2.gz RIOISACQDJVJHJ-WMZOPIPTSA-N 1 0 489.690 3.231 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001303417163 1067944903 /nfs/dbraw/zinc/94/49/03/1067944903.db2.gz VTZJYXIIERWBDF-LJQANCHMSA-N 1 0 475.663 3.105 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001303419711 1067945923 /nfs/dbraw/zinc/94/59/23/1067945923.db2.gz FOAMLXCCLHDMNN-HXUWFJFHSA-N 1 0 478.707 3.173 20 0 JGADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001304902654 1067946995 /nfs/dbraw/zinc/94/69/95/1067946995.db2.gz HBACCOLDSWTKOX-LJQANCHMSA-N 1 0 468.646 3.020 20 0 JGADRO Cc1nsc(N2CCCN(c3nnc(CCOc4ccccc4)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001304902979 1067947455 /nfs/dbraw/zinc/94/74/55/1067947455.db2.gz LOAYLXMTUDMBQM-UHFFFAOYSA-N 1 0 498.701 3.364 20 0 JGADRO CC(C)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303421872 1067947565 /nfs/dbraw/zinc/94/75/65/1067947565.db2.gz ZRZLUBJOFQQUPD-NHCUHLMSSA-N 1 0 456.610 3.480 20 0 JGADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001304906895 1067950628 /nfs/dbraw/zinc/95/06/28/1067950628.db2.gz HYYNJIIEMCFVOD-APWZRJJASA-N 1 0 456.978 3.085 20 0 JGADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccccc2Br)n1CCC[NH+]1CCCCC1 ZINC001304907697 1067951286 /nfs/dbraw/zinc/95/12/86/1067951286.db2.gz XUKOOFUTMCXWOB-KRWDZBQOSA-N 1 0 475.435 3.251 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001304909313 1067952624 /nfs/dbraw/zinc/95/26/24/1067952624.db2.gz DCMQWMXYBZVGHW-SJBKTWHCSA-N 1 0 474.694 3.281 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)C1 ZINC001304910765 1067953623 /nfs/dbraw/zinc/95/36/23/1067953623.db2.gz IPQDXFVBAYEKMK-QRBPQYNOSA-N 1 0 469.671 3.121 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)C1 ZINC001304910763 1067953689 /nfs/dbraw/zinc/95/36/89/1067953689.db2.gz IPQDXFVBAYEKMK-JAMPWESASA-N 1 0 469.671 3.121 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001304912339 1067956132 /nfs/dbraw/zinc/95/61/32/1067956132.db2.gz NNCKAKYRZZHLFU-DNVJHFABSA-N 1 0 487.737 3.148 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304912550 1067956440 /nfs/dbraw/zinc/95/64/40/1067956440.db2.gz QRZFSAIGYZOMRI-QRVBRYPASA-N 1 0 474.675 3.339 20 0 JGADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912920 1067956752 /nfs/dbraw/zinc/95/67/52/1067956752.db2.gz RIFXWGUNFWBIRM-WOZUAGRISA-N 1 0 490.718 3.278 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001303435459 1067958561 /nfs/dbraw/zinc/95/85/61/1067958561.db2.gz RZKUMENQEDNVPQ-QZTJIDSGSA-N 1 0 458.582 3.002 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001303435458 1067958580 /nfs/dbraw/zinc/95/85/80/1067958580.db2.gz RZKUMENQEDNVPQ-MSOLQXFVSA-N 1 0 458.582 3.002 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc3ccccc3o2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001303435826 1067958733 /nfs/dbraw/zinc/95/87/33/1067958733.db2.gz FGVGAAOLHJDFQQ-IBGZPJMESA-N 1 0 468.602 3.153 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)CCOC1 ZINC001304915230 1067959510 /nfs/dbraw/zinc/95/95/10/1067959510.db2.gz BYAOOYOOFMMFRZ-DNRQZRRGSA-N 1 0 463.667 3.036 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001304917607 1067960450 /nfs/dbraw/zinc/96/04/50/1067960450.db2.gz MEIDBXYPSROFAB-AWWSKVOZSA-N 1 0 488.702 3.281 20 0 JGADRO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001304918500 1067961168 /nfs/dbraw/zinc/96/11/68/1067961168.db2.gz HFPOHRFDTLWLHT-PZPWOCDFSA-N 1 0 466.399 3.396 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001303438303 1067962480 /nfs/dbraw/zinc/96/24/80/1067962480.db2.gz WDXAEQIYMYPYAT-FQEVSTJZSA-N 1 0 495.628 3.062 20 0 JGADRO C[C@@H]1C[C@@H](C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCSCC2)C1 ZINC001304921455 1067962567 /nfs/dbraw/zinc/96/25/67/1067962567.db2.gz RMBBYKCVGMNSCT-VAMGGRTRSA-N 1 0 494.706 3.118 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001303440960 1067963147 /nfs/dbraw/zinc/96/31/47/1067963147.db2.gz MCQJGIJIPYQUDM-NFBKMPQASA-N 1 0 484.645 3.406 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001304922552 1067963690 /nfs/dbraw/zinc/96/36/90/1067963690.db2.gz BEJLJACIJZMUAB-PMACEKPBSA-N 1 0 498.676 3.034 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303441094 1067963656 /nfs/dbraw/zinc/96/36/56/1067963656.db2.gz OOMVAHQQURCFFH-UGKGYDQZSA-N 1 0 470.618 3.016 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCCC2)C1 ZINC001304923118 1067964356 /nfs/dbraw/zinc/96/43/56/1067964356.db2.gz AGYZRLQOOMOQOK-PMACEKPBSA-N 1 0 474.675 3.164 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001303442206 1067964369 /nfs/dbraw/zinc/96/43/69/1067964369.db2.gz STIJRJTUHBWVJU-JOCHJYFZSA-N 1 0 456.635 3.369 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001304923150 1067964413 /nfs/dbraw/zinc/96/44/13/1067964413.db2.gz ATDPQTXNHWNOSC-IEWDOMPSSA-N 1 0 452.594 3.325 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001303442809 1067964773 /nfs/dbraw/zinc/96/47/73/1067964773.db2.gz DDTWLEVGDMZNOV-HSZRJFAPSA-N 1 0 465.646 3.362 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001303442744 1067964797 /nfs/dbraw/zinc/96/47/97/1067964797.db2.gz CNEMVUDZOBXRCZ-NRFANRHFSA-N 1 0 465.646 3.362 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@@H]3CCCCO3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304923221 1067964806 /nfs/dbraw/zinc/96/48/06/1067964806.db2.gz AJBPRVCMPSTZBC-VWPQPMDRSA-N 1 0 460.667 3.370 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001304923273 1067964847 /nfs/dbraw/zinc/96/48/47/1067964847.db2.gz AXGLHIMENLMGTO-KZNAEPCWSA-N 1 0 477.057 3.011 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccnc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001304923523 1067965449 /nfs/dbraw/zinc/96/54/49/1067965449.db2.gz BXIDRFIUJJGNJZ-VWPQPMDRSA-N 1 0 474.675 3.112 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304923704 1067965544 /nfs/dbraw/zinc/96/55/44/1067965544.db2.gz CSMOHHZPKGCYNZ-GXRSIYKFSA-N 1 0 497.750 3.436 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)C1 ZINC001304923772 1067965869 /nfs/dbraw/zinc/96/58/69/1067965869.db2.gz FPPRSKJSGZXHPE-QZTJIDSGSA-N 1 0 481.613 3.483 20 0 JGADRO CC(C)NC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001303445208 1067966458 /nfs/dbraw/zinc/96/64/58/1067966458.db2.gz ZNABBHRXRFOTDT-MOPGFXCFSA-N 1 0 458.582 3.146 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001304924186 1067966523 /nfs/dbraw/zinc/96/65/23/1067966523.db2.gz HXVXTWHNBSDGMI-OYRHEFFESA-N 1 0 467.662 3.403 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304924247 1067966561 /nfs/dbraw/zinc/96/65/61/1067966561.db2.gz ICNIHWFARXNFTB-RTBURBONSA-N 1 0 491.084 3.476 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cnccn2)C1 ZINC001304924376 1067966976 /nfs/dbraw/zinc/96/69/76/1067966976.db2.gz IHOHOSNFJMDGJT-PMACEKPBSA-N 1 0 477.617 3.110 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(COc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)C1 ZINC001304924518 1067967332 /nfs/dbraw/zinc/96/73/32/1067967332.db2.gz IBMVDAOBGCDCES-KDURUIRLSA-N 1 0 475.037 3.205 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccncc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304924545 1067967428 /nfs/dbraw/zinc/96/74/28/1067967428.db2.gz IGHJAYCIPFWBDX-NHCUHLMSSA-N 1 0 467.662 3.114 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(CC3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001304924806 1067967763 /nfs/dbraw/zinc/96/77/63/1067967763.db2.gz JTZCWIFUZZASPE-FKBYEOEOSA-N 1 0 494.750 3.239 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001304925113 1067968047 /nfs/dbraw/zinc/96/80/47/1067968047.db2.gz KYGPFFIJVQYXFR-MQSCRBSSSA-N 1 0 484.693 3.178 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(F)(F)C2)C1 ZINC001304925078 1067968052 /nfs/dbraw/zinc/96/80/52/1067968052.db2.gz BMZLSHFVXVULNT-IRXDYDNUSA-N 1 0 466.602 3.483 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304925195 1067968534 /nfs/dbraw/zinc/96/85/34/1067968534.db2.gz LGOLRTJTQMINEK-VXNXHJTFSA-N 1 0 490.737 3.477 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925310 1067968667 /nfs/dbraw/zinc/96/86/67/1067968667.db2.gz LGMPDFMAOSXMFC-XJUOHMSHSA-N 1 0 474.694 3.427 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303448131 1067969021 /nfs/dbraw/zinc/96/90/21/1067969021.db2.gz NBJJFVKYLDALSF-QGZVFWFLSA-N 1 0 481.428 3.078 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925886 1067969441 /nfs/dbraw/zinc/96/94/41/1067969441.db2.gz PGRNQMUHKXCDGJ-OYRHEFFESA-N 1 0 460.667 3.324 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001303448338 1067969686 /nfs/dbraw/zinc/96/96/86/1067969686.db2.gz QIXDCMFKRSPXKS-UHFFFAOYSA-N 1 0 463.424 3.153 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926488 1067970337 /nfs/dbraw/zinc/97/03/37/1067970337.db2.gz PGFGBWCZHPKQMR-ZCNNSNEGSA-N 1 0 498.738 3.040 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2C2CCC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926606 1067970677 /nfs/dbraw/zinc/97/06/77/1067970677.db2.gz SPADVOTZNMYZSG-RCLSDMTESA-N 1 0 466.696 3.025 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001304927130 1067972363 /nfs/dbraw/zinc/97/23/63/1067972363.db2.gz IUSVBBNMLPCCFA-NJDAHSKKSA-N 1 0 488.702 3.499 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@@H]3CCOC3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001304927303 1067972884 /nfs/dbraw/zinc/97/28/84/1067972884.db2.gz UENNRTMFFJBAFL-KCZVDYSFSA-N 1 0 460.667 3.022 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001304927283 1067972974 /nfs/dbraw/zinc/97/29/74/1067972974.db2.gz TZPCFLJMJFZDDC-HSALFYBXSA-N 1 0 458.676 3.355 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927223 1067972984 /nfs/dbraw/zinc/97/29/84/1067972984.db2.gz VVGCGNVZFRHSOQ-ZCNNSNEGSA-N 1 0 450.697 3.362 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304927401 1067973320 /nfs/dbraw/zinc/97/33/20/1067973320.db2.gz IYSIPOZKIMSPDF-DHIUTWEWSA-N 1 0 481.689 3.327 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCNC(=O)CC2)C1 ZINC001304927333 1067973442 /nfs/dbraw/zinc/97/34/42/1067973442.db2.gz ULQGYOFPCCDFDW-OALUTQOASA-N 1 0 474.600 3.232 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304927632 1067973815 /nfs/dbraw/zinc/97/38/15/1067973815.db2.gz XCGZDGPZSGRKNC-BHIFYINESA-N 1 0 484.693 3.035 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)N(C)C[C@H]3C2)C1 ZINC001304927560 1067973949 /nfs/dbraw/zinc/97/39/49/1067973949.db2.gz VVMQOBNUZVDBTG-NJYVYQBISA-N 1 0 459.683 3.181 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001304927686 1067974275 /nfs/dbraw/zinc/97/42/75/1067974275.db2.gz XTTQFIAKYXQRJR-QRVBRYPASA-N 1 0 457.648 3.235 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304927963 1067974747 /nfs/dbraw/zinc/97/47/47/1067974747.db2.gz YWQBCRQYVJFDCW-QZTJIDSGSA-N 1 0 468.067 3.447 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccncc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001304927873 1067974756 /nfs/dbraw/zinc/97/47/56/1067974756.db2.gz XDXLNXHYNLGEOF-NHCUHLMSSA-N 1 0 488.702 3.035 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927881 1067974801 /nfs/dbraw/zinc/97/48/01/1067974801.db2.gz YPOPQAGVLVWYPA-FGTMMUONSA-N 1 0 483.082 3.231 20 0 JGADRO CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304928396 1067976246 /nfs/dbraw/zinc/97/62/46/1067976246.db2.gz NOKNOPWBTKHNHA-KCZVDYSFSA-N 1 0 465.708 3.421 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304929063 1067977045 /nfs/dbraw/zinc/97/70/45/1067977045.db2.gz YUZWKMDACXKCSW-HSALFYBXSA-N 1 0 484.645 3.175 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001304929325 1067977372 /nfs/dbraw/zinc/97/73/72/1067977372.db2.gz VDHLNMGGBRFITH-ATLLOTDBSA-N 1 0 474.600 3.217 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001304929491 1067977885 /nfs/dbraw/zinc/97/78/85/1067977885.db2.gz WRAVSTUNNZYKPS-QHAWAJNXSA-N 1 0 482.739 3.051 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C1 ZINC001304929644 1067978335 /nfs/dbraw/zinc/97/83/35/1067978335.db2.gz XLKNNCQFAFLCBN-NHCUHLMSSA-N 1 0 482.673 3.459 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304929674 1067978427 /nfs/dbraw/zinc/97/84/27/1067978427.db2.gz XYHKCJYJMRPRMJ-ZLNRFVROSA-N 1 0 476.710 3.435 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C1 ZINC001304929645 1067978455 /nfs/dbraw/zinc/97/84/55/1067978455.db2.gz XLKNNCQFAFLCBN-OYRHEFFESA-N 1 0 482.673 3.459 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(N3CCN(C(=O)c4ccccn4)CC3)nnc2C(C)(C)C)C1 ZINC001304929735 1067978464 /nfs/dbraw/zinc/97/84/64/1067978464.db2.gz YTXDRSWBGVKLNK-SFTDATJTSA-N 1 0 467.662 3.301 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(Cc3ccncc3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001304929931 1067978803 /nfs/dbraw/zinc/97/88/03/1067978803.db2.gz ZSYKRTAFKPQRGB-SFTDATJTSA-N 1 0 470.662 3.467 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCSC2)CC1 ZINC001303462405 1067981421 /nfs/dbraw/zinc/98/14/21/1067981421.db2.gz BNGURHFAXIOIPL-AUSIDOKSSA-N 1 0 451.681 3.429 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001303464883 1067983795 /nfs/dbraw/zinc/98/37/95/1067983795.db2.gz AWPFNIXZFUSMSY-LJQANCHMSA-N 1 0 471.650 3.486 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001303465230 1067984292 /nfs/dbraw/zinc/98/42/92/1067984292.db2.gz GLUMHRREMJCPQW-QFIPXVFZSA-N 1 0 450.052 3.357 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC001303467293 1067986150 /nfs/dbraw/zinc/98/61/50/1067986150.db2.gz ZODLTPARDGPYLU-XIFFEERXSA-N 1 0 466.655 3.158 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCSC(F)(F)F)CC1 ZINC001303467857 1067987152 /nfs/dbraw/zinc/98/71/52/1067987152.db2.gz LHGRKMYSMXMFDR-UHFFFAOYSA-N 1 0 476.594 3.489 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)CC1 ZINC001303468124 1067987527 /nfs/dbraw/zinc/98/75/27/1067987527.db2.gz UCVWZUDXSKSZHR-YZGWKJHDSA-N 1 0 462.639 3.195 20 0 JGADRO C[C@@H]1C[C@@H](CCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001304938690 1067987597 /nfs/dbraw/zinc/98/75/97/1067987597.db2.gz OIFIXRAVQXMHIY-IFMALSPDSA-N 1 0 490.656 3.387 20 0 JGADRO C[C@@H]1C[C@H](Cn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)CC(F)(F)F)CCO1 ZINC001304941706 1067992368 /nfs/dbraw/zinc/99/23/68/1067992368.db2.gz LGVWUYODHBJPNE-WOJBJXKFSA-N 1 0 480.579 3.456 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001304942256 1067993316 /nfs/dbraw/zinc/99/33/16/1067993316.db2.gz XBKGUGJPYRAKQZ-KCZVDYSFSA-N 1 0 484.670 3.443 20 0 JGADRO C[NH+](C)CC[C@H]1CCN(C(=O)c2cccc(Br)c2I)C1 ZINC001303477260 1067996233 /nfs/dbraw/zinc/99/62/33/1067996233.db2.gz KEQOMVHXQGKRGB-NSHDSACASA-N 1 0 451.146 3.468 20 0 JGADRO C[C@@H]1C[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304947608 1067998750 /nfs/dbraw/zinc/99/87/50/1067998750.db2.gz HMVLPUMQYVOTLD-MSOLQXFVSA-N 1 0 452.525 3.011 20 0 JGADRO C[C@H]1C[C@@H](N(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001304947834 1067999153 /nfs/dbraw/zinc/99/91/53/1067999153.db2.gz HHYHTMHYNMBXSA-YSIASYRMSA-N 1 0 494.562 3.297 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCOC1 ZINC001303480226 1067999934 /nfs/dbraw/zinc/99/99/34/1067999934.db2.gz ARSZQNUZTFYVLE-UUOWRZLLSA-N 1 0 494.084 3.462 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H](C2CC2)[NH+](C)C)CCOC1 ZINC001303480317 1068000055 /nfs/dbraw/zinc/00/00/55/1068000055.db2.gz CGURJDRWVRNARF-PGRDOPGGSA-N 1 0 499.582 3.048 20 0 JGADRO C[C@@H]1C[C@H](N(C)c2nnc([C@@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001304950217 1068000063 /nfs/dbraw/zinc/00/00/63/1068000063.db2.gz MVCGTFXMLJRFID-YMPZKCBVSA-N 1 0 489.686 3.096 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001304951938 1068000469 /nfs/dbraw/zinc/00/04/69/1068000469.db2.gz PGWOIBWBXUDDKE-KNQAVFIVSA-N 1 0 488.702 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C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN(C)c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC001305019602 1068065601 /nfs/dbraw/zinc/06/56/01/1068065601.db2.gz NFUKAIGKLKJSRK-VXKWHMMOSA-N 1 0 467.662 3.207 20 0 JGADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305020376 1068068107 /nfs/dbraw/zinc/06/81/07/1068068107.db2.gz PBKLSNBFVFCBJL-QZTJIDSGSA-N 1 0 474.600 3.359 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001303539287 1068068746 /nfs/dbraw/zinc/06/87/46/1068068746.db2.gz QDKOQSDAEFXTAE-CYFREDJKSA-N 1 0 493.649 3.064 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305020567 1068068907 /nfs/dbraw/zinc/06/89/07/1068068907.db2.gz CHCOOZQHEHWQPY-HKUYNNGSSA-N 1 0 493.578 3.355 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001305020656 1068068962 /nfs/dbraw/zinc/06/89/62/1068068962.db2.gz SCNJGGMDYFFIFZ-RBBKRZOGSA-N 1 0 452.647 3.276 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC001303539408 1068069089 /nfs/dbraw/zinc/06/90/89/1068069089.db2.gz SUZQYCXFLJLNKX-UXHICEINSA-N 1 0 461.582 3.111 20 0 JGADRO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001305021147 1068070252 /nfs/dbraw/zinc/07/02/52/1068070252.db2.gz WVDWEAHCEXUJAX-FGZHOGPDSA-N 1 0 487.737 3.310 20 0 JGADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CCNC(=O)CC2)C1 ZINC001305021362 1068070497 /nfs/dbraw/zinc/07/04/97/1068070497.db2.gz VJIBQYYIMWLPSK-OAQYLSRUSA-N 1 0 452.647 3.290 20 0 JGADRO CC(C)OCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303543538 1068071797 /nfs/dbraw/zinc/07/17/97/1068071797.db2.gz QYRBUPKYQTYWSE-OAQYLSRUSA-N 1 0 494.681 3.322 20 0 JGADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001305021902 1068071968 /nfs/dbraw/zinc/07/19/68/1068071968.db2.gz INTCZNMJKYQDBB-MSOLQXFVSA-N 1 0 482.599 3.262 20 0 JGADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001305021907 1068072341 /nfs/dbraw/zinc/07/23/41/1068072341.db2.gz INTCZNMJKYQDBB-QZTJIDSGSA-N 1 0 482.599 3.262 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022368 1068073223 /nfs/dbraw/zinc/07/32/23/1068073223.db2.gz BJHJBPCYXFWFIN-TVFCKZIOSA-N 1 0 498.644 3.484 20 0 JGADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022310 1068073314 /nfs/dbraw/zinc/07/33/14/1068073314.db2.gz AUSVKUHRFCVCCZ-QYZOEREBSA-N 1 0 455.607 3.050 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022728 1068073722 /nfs/dbraw/zinc/07/37/22/1068073722.db2.gz CXWHGWGVPJXRFE-FGTMMUONSA-N 1 0 451.612 3.074 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022733 1068074001 /nfs/dbraw/zinc/07/40/01/1068074001.db2.gz CXWHGWGVPJXRFE-SQNIBIBYSA-N 1 0 451.612 3.074 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305022707 1068074083 /nfs/dbraw/zinc/07/40/83/1068074083.db2.gz MOZDKCCDQPIVPW-ZWKOTPCHSA-N 1 0 493.578 3.355 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022957 1068074448 /nfs/dbraw/zinc/07/44/48/1068074448.db2.gz OIJZKYPRFPWYOJ-MSOLQXFVSA-N 1 0 494.731 3.413 20 0 JGADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001305023025 1068074472 /nfs/dbraw/zinc/07/44/72/1068074472.db2.gz PGLDIMIRKNRPID-HHJKRLRDSA-N 1 0 460.667 3.381 20 0 JGADRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCCS(C)(=O)=O)[N@@H+]1CCC[C@H](C)C1 ZINC001305023130 1068075458 /nfs/dbraw/zinc/07/54/58/1068075458.db2.gz ASHFHEURGNWJNV-ZWKOTPCHSA-N 1 0 483.629 3.138 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H]2CCSC2)C1 ZINC001305023402 1068075739 /nfs/dbraw/zinc/07/57/39/1068075739.db2.gz RLKXUSBNOGDGIF-ZWKOTPCHSA-N 1 0 457.648 3.378 20 0 JGADRO CC(C)OCCCn1c(-c2ccccn2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303549121 1068075777 /nfs/dbraw/zinc/07/57/77/1068075777.db2.gz XTBHURPKWODTMK-OYRHEFFESA-N 1 0 456.635 3.481 20 0 JGADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023383 1068076086 /nfs/dbraw/zinc/07/60/86/1068076086.db2.gz HDVSYOJWHZRHAX-BZUAXINKSA-N 1 0 493.425 3.279 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001305023400 1068076144 /nfs/dbraw/zinc/07/61/44/1068076144.db2.gz RLKXUSBNOGDGIF-ROUUACIJSA-N 1 0 457.648 3.378 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023385 1068076171 /nfs/dbraw/zinc/07/61/71/1068076171.db2.gz HDVSYOJWHZRHAX-OWCLPIDISA-N 1 0 493.425 3.279 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024008 1068077453 /nfs/dbraw/zinc/07/74/53/1068077453.db2.gz JZSJEBLADZZSEF-GUDVDZBRSA-N 1 0 467.584 3.477 20 0 JGADRO CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305024249 1068077890 /nfs/dbraw/zinc/07/78/90/1068077890.db2.gz XIXLTILVZHRKMY-IBGZPJMESA-N 1 0 483.661 3.454 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024372 1068078301 /nfs/dbraw/zinc/07/83/01/1068078301.db2.gz LALNRHVKUJTQHN-HKBOAZHASA-N 1 0 489.686 3.332 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024541 1068078942 /nfs/dbraw/zinc/07/89/42/1068078942.db2.gz GYACATFJGVSSFO-RTWAWAEBSA-N 1 0 467.662 3.079 20 0 JGADRO CC(C)OCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001303555044 1068080552 /nfs/dbraw/zinc/08/05/52/1068080552.db2.gz WIDZSSKTXAKTAI-JTHBVZDNSA-N 1 0 468.646 3.428 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305026124 1068081686 /nfs/dbraw/zinc/08/16/86/1068081686.db2.gz PVSJTISRLZANNN-YUMYIRISSA-N 1 0 460.667 3.034 20 0 JGADRO CC(C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305026372 1068082245 /nfs/dbraw/zinc/08/22/45/1068082245.db2.gz WPDSAWCKUHETDH-AQNXPRMDSA-N 1 0 464.655 3.252 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305026631 1068082283 /nfs/dbraw/zinc/08/22/83/1068082283.db2.gz XAFDFBCVFGBTDG-ROUUACIJSA-N 1 0 495.093 3.237 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305027263 1068083626 /nfs/dbraw/zinc/08/36/26/1068083626.db2.gz UXFJQBIXYGMPBS-CEXWTWQISA-N 1 0 490.590 3.315 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028295 1068084563 /nfs/dbraw/zinc/08/45/63/1068084563.db2.gz YCBHWTVMQLEUAT-FGZHOGPDSA-N 1 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KLVJRQPCQAZJJK-QWFCFKBJSA-N 1 0 496.077 3.254 20 0 JGADRO CC(C)OCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001303564627 1068087407 /nfs/dbraw/zinc/08/74/07/1068087407.db2.gz VROALVLAMZISGD-UHFFFAOYSA-N 1 0 473.572 3.018 20 0 JGADRO C[C@H](Cn1c(CCc2ccccc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001305029924 1068087781 /nfs/dbraw/zinc/08/77/81/1068087781.db2.gz TWSJMFSMDFYDRD-CZYKHXBRSA-N 1 0 475.703 3.442 20 0 JGADRO C[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001305031333 1068089016 /nfs/dbraw/zinc/08/90/16/1068089016.db2.gz OESWSMPYJMPKJC-LJQANCHMSA-N 1 0 475.659 3.086 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C)CC1 ZINC001305032159 1068089272 /nfs/dbraw/zinc/08/92/72/1068089272.db2.gz FEPUOWALYZUVLA-WOJBJXKFSA-N 1 0 476.691 3.403 20 0 JGADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001303566641 1068089343 /nfs/dbraw/zinc/08/93/43/1068089343.db2.gz 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ZINC001303654335 1068185612 /nfs/dbraw/zinc/18/56/12/1068185612.db2.gz UBEYJCDUILYSKN-RXVVDRJESA-N 1 0 472.609 3.493 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303654396 1068186008 /nfs/dbraw/zinc/18/60/08/1068186008.db2.gz VOJQXPHVYVKCHM-YCRPNKLZSA-N 1 0 483.107 3.361 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccccc2)C[C@@H](C)O1 ZINC001305112570 1068187256 /nfs/dbraw/zinc/18/72/56/1068187256.db2.gz MRYDDEUVFAYHTM-NJYVYQBISA-N 1 0 457.619 3.185 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccccc2)C[C@@H](C)O1 ZINC001305112569 1068187507 /nfs/dbraw/zinc/18/75/07/1068187507.db2.gz MRYDDEUVFAYHTM-NJDAHSKKSA-N 1 0 457.619 3.185 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C[C@@H](C)O1 ZINC001305113134 1068189148 /nfs/dbraw/zinc/18/91/48/1068189148.db2.gz SAQOGVZTOMYVKO-WOJBJXKFSA-N 1 0 469.609 3.229 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001305113149 1068189465 /nfs/dbraw/zinc/18/94/65/1068189465.db2.gz MIVGZLQEOFPYDE-ZVDOUQERSA-N 1 0 482.673 3.442 20 0 JGADRO C[C@@H](Cc1cccs1)Cn1c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001303657843 1068189872 /nfs/dbraw/zinc/18/98/72/1068189872.db2.gz ARFZEJPFCSYFPF-IBGZPJMESA-N 1 0 458.676 3.260 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C[C@H](C)O1 ZINC001305113810 1068190660 /nfs/dbraw/zinc/19/06/60/1068190660.db2.gz QMQSHNJQDCFULD-HBMCJLEFSA-N 1 0 497.688 3.359 20 0 JGADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001303659281 1068191597 /nfs/dbraw/zinc/19/15/97/1068191597.db2.gz OFBIJKFMTFMNHR-PGRDOPGGSA-N 1 0 454.619 3.017 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305114356 1068191757 /nfs/dbraw/zinc/19/17/57/1068191757.db2.gz RRAOAXFJZNIPMM-CEXWTWQISA-N 1 0 495.594 3.301 20 0 JGADRO C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCOC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001303662685 1068193375 /nfs/dbraw/zinc/19/33/75/1068193375.db2.gz HWTNRNBDDLUAQD-HXUWFJFHSA-N 1 0 454.619 3.040 20 0 JGADRO C[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303662339 1068193434 /nfs/dbraw/zinc/19/34/34/1068193434.db2.gz DXAYYBYTDIDLIH-WOJBJXKFSA-N 1 0 469.634 3.441 20 0 JGADRO C[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCCC1 ZINC001303664187 1068196227 /nfs/dbraw/zinc/19/62/27/1068196227.db2.gz SFYDTZCRDUGWPP-LJQANCHMSA-N 1 0 457.623 3.441 20 0 JGADRO C[C@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303664448 1068197299 /nfs/dbraw/zinc/19/72/99/1068197299.db2.gz KTRRALBJVRHZCW-IRLDBZIGSA-N 1 0 482.654 3.264 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[NH+]1CCOCC1 ZINC001305117781 1068198192 /nfs/dbraw/zinc/19/81/92/1068198192.db2.gz NPWDCCHACBQAOS-HXUWFJFHSA-N 1 0 468.646 3.022 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(CC(C)(C)C)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001305117939 1068198210 /nfs/dbraw/zinc/19/82/10/1068198210.db2.gz UPJPSDAEVRZEFG-LJQANCHMSA-N 1 0 462.708 3.285 20 0 JGADRO C[C@@H](CCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303665544 1068198995 /nfs/dbraw/zinc/19/89/95/1068198995.db2.gz VGXMGESZXQHMKY-IBGZPJMESA-N 1 0 488.562 3.330 20 0 JGADRO C[C@H](CCn1c(CCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC001303666436 1068200111 /nfs/dbraw/zinc/20/01/11/1068200111.db2.gz KNNPTHUOTCRHNO-OAQYLSRUSA-N 1 0 473.687 3.341 20 0 JGADRO C[C@H](CCn1c(-c2ccccc2Cl)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCCC1 ZINC001303666519 1068200521 /nfs/dbraw/zinc/20/05/21/1068200521.db2.gz YHTWYLCZVWMAKM-QGZVFWFLSA-N 1 0 452.024 3.098 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303667488 1068202462 /nfs/dbraw/zinc/20/24/62/1068202462.db2.gz HNBNEPIVIMSPHB-NJDAHSKKSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1)[N@H+](C)Cc1ccccc1 ZINC001303667507 1068202520 /nfs/dbraw/zinc/20/25/20/1068202520.db2.gz HSCDYRSWBPPSPS-FQEVSTJZSA-N 1 0 477.657 3.434 20 0 JGADRO C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC001303668827 1068203375 /nfs/dbraw/zinc/20/33/75/1068203375.db2.gz QELKXOKZNPMOJA-ZCNNSNEGSA-N 1 0 451.681 3.317 20 0 JGADRO C[C@@H](CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCCCC1 ZINC001303669316 1068203982 /nfs/dbraw/zinc/20/39/82/1068203982.db2.gz SPZIIEGNIMWTEC-FQEVSTJZSA-N 1 0 480.661 3.132 20 0 JGADRO C[C@@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001303669910 1068204484 /nfs/dbraw/zinc/20/44/84/1068204484.db2.gz WKSWSRXJFXXIBF-PKOBYXMFSA-N 1 0 487.592 3.479 20 0 JGADRO C[C@H](CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001303674774 1068212880 /nfs/dbraw/zinc/21/28/80/1068212880.db2.gz PPEPHZYWLPEWJJ-NTKDMRAZSA-N 1 0 456.660 3.191 20 0 JGADRO C[C@H](CN(C)c1nnc(-c2ccccn2)n1CC1CC[NH+](CCN(C)C)CC1)c1nccs1 ZINC001303675531 1068214404 /nfs/dbraw/zinc/21/44/04/1068214404.db2.gz XRFKVXSVLDDQJR-LJQANCHMSA-N 1 0 468.675 3.310 20 0 JGADRO C[C@H](CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC001303681434 1068217448 /nfs/dbraw/zinc/21/74/48/1068217448.db2.gz AQNPLFPWODBCJG-ZHRRBRCNSA-N 1 0 477.034 3.274 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCC[NH+]2CCOCC2)CC(C)(C)O1 ZINC001305132228 1068217744 /nfs/dbraw/zinc/21/77/44/1068217744.db2.gz HOUGCODWZBIVEP-QGZVFWFLSA-N 1 0 495.466 3.162 20 0 JGADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1)[NH+](C)C ZINC001303685149 1068223130 /nfs/dbraw/zinc/22/31/30/1068223130.db2.gz OHJCMVDAHYNORK-DLBZAZTESA-N 1 0 469.977 3.187 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCCC[NH+]2CCOCC2)CCOC1 ZINC001305135616 1068224223 /nfs/dbraw/zinc/22/42/23/1068224223.db2.gz HXRRPOFJFVGRED-OFVILXPXSA-N 1 0 463.667 3.304 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)O)CC[N@@H+](C2CCC2)C1 ZINC001305135703 1068224631 /nfs/dbraw/zinc/22/46/31/1068224631.db2.gz UJLQYXNZFLXNEP-CQSZACIVSA-N 1 0 451.413 3.117 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)O)CC[N@@H+](C2CCC2)C1 ZINC001305135702 1068224712 /nfs/dbraw/zinc/22/47/12/1068224712.db2.gz UJLQYXNZFLXNEP-AWEZNQCLSA-N 1 0 451.413 3.117 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001305135699 1068224745 /nfs/dbraw/zinc/22/47/45/1068224745.db2.gz UHQZOFYAAFFBNS-INIZCTEOSA-N 1 0 464.408 3.044 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305136173 1068225717 /nfs/dbraw/zinc/22/57/17/1068225717.db2.gz JDDFUHBVXCIBSG-GSHUGGBRSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1)[N@H+](C)Cc1ccccc1 ZINC001303688470 1068226932 /nfs/dbraw/zinc/22/69/32/1068226932.db2.gz ZDWMYJDISLTKLH-OAQYLSRUSA-N 1 0 468.646 3.024 20 0 JGADRO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1)[NH+](C)C ZINC001303688845 1068227649 /nfs/dbraw/zinc/22/76/49/1068227649.db2.gz PGWLMUSNQXXRFE-GDBMZVCRSA-N 1 0 454.953 3.293 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305138803 1068231990 /nfs/dbraw/zinc/23/19/90/1068231990.db2.gz OXKCTKXPSXGYQA-RBUKOAKNSA-N 1 0 475.609 3.408 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](O)(c2ccccc2F)C1)[NH+](C)C ZINC001303691778 1068232318 /nfs/dbraw/zinc/23/23/18/1068232318.db2.gz JDVAZAHYJSQLDE-SPLOXXLWSA-N 1 0 477.382 3.223 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC001303692100 1068232893 /nfs/dbraw/zinc/23/28/93/1068232893.db2.gz PJTHGTCVKPHAFT-INIZCTEOSA-N 1 0 490.425 3.462 20 0 JGADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303692465 1068234520 /nfs/dbraw/zinc/23/45/20/1068234520.db2.gz XKDQSLLSBMALAX-LSDHHAIUSA-N 1 0 493.425 3.292 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCS(C)(=O)=O)C1CC1)[N@H+](C)C1CC1 ZINC001303693390 1068235815 /nfs/dbraw/zinc/23/58/15/1068235815.db2.gz GHVLBPAYGJQOCY-AWEZNQCLSA-N 1 0 470.014 3.234 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)[NH+](C)C ZINC001303695298 1068238346 /nfs/dbraw/zinc/23/83/46/1068238346.db2.gz HUGBEDWKGHSIGO-CXLVCKKSSA-N 1 0 454.438 3.316 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)[NH+](C)C ZINC001303695301 1068238394 /nfs/dbraw/zinc/23/83/94/1068238394.db2.gz HUGBEDWKGHSIGO-NRMMMPIQSA-N 1 0 454.438 3.316 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCCC[NH+]2CCOCC2)CCCO1 ZINC001305142971 1068240716 /nfs/dbraw/zinc/24/07/16/1068240716.db2.gz NONUJARAWXTXQZ-MRXNPFEDSA-N 1 0 484.464 3.497 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)Nc2nncs2)CC1)[NH+](C)C ZINC001303699892 1068242484 /nfs/dbraw/zinc/24/24/84/1068242484.db2.gz MQOUQXXGJBMXSX-CQSZACIVSA-N 1 0 475.022 3.255 20 0 JGADRO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C)C1 ZINC001305143748 1068242985 /nfs/dbraw/zinc/24/29/85/1068242985.db2.gz LZFZWERLXPSXAR-UXHICEINSA-N 1 0 475.659 3.228 20 0 JGADRO C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303700325 1068243255 /nfs/dbraw/zinc/24/32/55/1068243255.db2.gz DIYVCHRLLOWJCH-MSOLQXFVSA-N 1 0 455.607 3.174 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305144159 1068243851 /nfs/dbraw/zinc/24/38/51/1068243851.db2.gz YRRBCAPDGOPSOX-JKSBSHDWSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001305144367 1068243901 /nfs/dbraw/zinc/24/39/01/1068243901.db2.gz XCJOWLLGWOPDTA-AWEZNQCLSA-N 1 0 470.437 3.105 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001305144368 1068244415 /nfs/dbraw/zinc/24/44/15/1068244415.db2.gz XCJOWLLGWOPDTA-CQSZACIVSA-N 1 0 470.437 3.105 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001303700880 1068244566 /nfs/dbraw/zinc/24/45/66/1068244566.db2.gz UCQILKFUIVYXBO-OAHLLOKOSA-N 1 0 452.024 3.095 20 0 JGADRO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303702870 1068246846 /nfs/dbraw/zinc/24/68/46/1068246846.db2.gz GHLAOAHWUIRNBM-PKOBYXMFSA-N 1 0 455.607 3.316 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303703397 1068247583 /nfs/dbraw/zinc/24/75/83/1068247583.db2.gz PFCSZZVIYCRDFQ-MOPGFXCFSA-N 1 0 455.651 3.145 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303703399 1068247649 /nfs/dbraw/zinc/24/76/49/1068247649.db2.gz PFCSZZVIYCRDFQ-RBUKOAKNSA-N 1 0 455.651 3.145 20 0 JGADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC001303705464 1068250219 /nfs/dbraw/zinc/25/02/19/1068250219.db2.gz MVNQRGFWAAGWJJ-QYZOEREBSA-N 1 0 458.632 3.052 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C[NH+](C)C)C[C@@]2(CCCOC2)O1 ZINC001305148136 1068251004 /nfs/dbraw/zinc/25/10/04/1068251004.db2.gz WBHLWULXXXDXAV-UZUQRXQVSA-N 1 0 463.026 3.356 20 0 JGADRO C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCc1ccccc1F)[NH+](C)C ZINC001303706833 1068251742 /nfs/dbraw/zinc/25/17/42/1068251742.db2.gz CBYPQXRBYKECJH-QGZVFWFLSA-N 1 0 473.622 3.006 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001303707536 1068252660 /nfs/dbraw/zinc/25/26/60/1068252660.db2.gz IVPXKRASTVRNSB-HRAATJIYSA-N 1 0 458.010 3.232 20 0 JGADRO C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)c1cccs1)[NH+](C)C ZINC001303707420 1068252831 /nfs/dbraw/zinc/25/28/31/1068252831.db2.gz HJONRAJCOPVDFC-HZPDHXFCSA-N 1 0 451.600 3.401 20 0 JGADRO C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001303709482 1068255672 /nfs/dbraw/zinc/25/56/72/1068255672.db2.gz UWGDHNBENZIFMD-OAHLLOKOSA-N 1 0 477.585 3.103 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001305151438 1068257447 /nfs/dbraw/zinc/25/74/47/1068257447.db2.gz WZQIUQMVLJEDNX-NFBKMPQASA-N 1 0 482.673 3.146 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)C[C@H](C)O1 ZINC001305153546 1068261061 /nfs/dbraw/zinc/26/10/61/1068261061.db2.gz HBNDJLZGNUIKJF-IYBDPMFKSA-N 1 0 466.449 3.370 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CCC(N)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC001303715169 1068261724 /nfs/dbraw/zinc/26/17/24/1068261724.db2.gz AWBGHHAOTQYUMS-NZQKXSOJSA-N 1 0 468.646 3.175 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCc1nccs1)[NH+](C)C ZINC001303716611 1068263768 /nfs/dbraw/zinc/26/37/68/1068263768.db2.gz GBDSEXFBFOCTPZ-QZTJIDSGSA-N 1 0 477.679 3.478 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303717288 1068265596 /nfs/dbraw/zinc/26/55/96/1068265596.db2.gz LXSRXDYSFHYOOE-QYZOEREBSA-N 1 0 462.639 3.006 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC([NH+]2CCCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303717472 1068266161 /nfs/dbraw/zinc/26/61/61/1068266161.db2.gz MSEZZKLWJCSOEJ-WOJBJXKFSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2c(cc[nH]c2=O)C1)[NH+](C)C ZINC001303718558 1068267497 /nfs/dbraw/zinc/26/74/97/1068267497.db2.gz QLADRZVDBWYQIL-IEBWSBKVSA-N 1 0 485.633 3.006 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)C(C)C ZINC001305161017 1068269237 /nfs/dbraw/zinc/26/92/37/1068269237.db2.gz LFPVVTQNOAAREB-GOSISDBHSA-N 1 0 455.573 3.475 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001303720683 1068269712 /nfs/dbraw/zinc/26/97/12/1068269712.db2.gz ZTWXBVRHKZLZCY-CEXWTWQISA-N 1 0 464.655 3.346 20 0 JGADRO C[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001303721872 1068270910 /nfs/dbraw/zinc/27/09/10/1068270910.db2.gz IQUKQPHAPPKRQV-KDOFPFPSSA-N 1 0 467.492 3.089 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCSC1)[N@H+](C)C1CC1 ZINC001303723210 1068273275 /nfs/dbraw/zinc/27/32/75/1068273275.db2.gz RRWNWUBYZLYRRY-NEWSRXKRSA-N 1 0 480.679 3.011 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305164625 1068274104 /nfs/dbraw/zinc/27/41/04/1068274104.db2.gz IOIOVPDXCMEUDT-SBHAEUEKSA-N 1 0 484.649 3.205 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305166258 1068277200 /nfs/dbraw/zinc/27/72/00/1068277200.db2.gz YBJMHVZAURCEEP-UYAOXDASSA-N 1 0 484.649 3.349 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305166257 1068277301 /nfs/dbraw/zinc/27/73/01/1068277301.db2.gz YBJMHVZAURCEEP-QUCCMNQESA-N 1 0 484.649 3.349 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001305166534 1068277341 /nfs/dbraw/zinc/27/73/41/1068277341.db2.gz WVOGYYWILNZEGY-LJQANCHMSA-N 1 0 484.649 3.445 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)C(C)C ZINC001305166245 1068277355 /nfs/dbraw/zinc/27/73/55/1068277355.db2.gz XXZLDELRCYHNOP-SJLPKXTDSA-N 1 0 457.545 3.344 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C ZINC001305166818 1068277864 /nfs/dbraw/zinc/27/78/64/1068277864.db2.gz FYMIRYZDQNDDEG-LJQANCHMSA-N 1 0 465.602 3.386 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CC3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305167674 1068278816 /nfs/dbraw/zinc/27/88/16/1068278816.db2.gz OYVZJYGETJZVOO-XMSQKQJNSA-N 1 0 484.645 3.494 20 0 JGADRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC001303726447 1068278837 /nfs/dbraw/zinc/27/88/37/1068278837.db2.gz DJOKSBIMJHOSHS-MRXNPFEDSA-N 1 0 451.587 3.200 20 0 JGADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC001303727628 1068281887 /nfs/dbraw/zinc/28/18/87/1068281887.db2.gz MVIJAVWDZASALC-FQEVSTJZSA-N 1 0 488.702 3.001 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001303728258 1068282894 /nfs/dbraw/zinc/28/28/94/1068282894.db2.gz KXUGUHQCXPJHQG-HNNXBMFYSA-N 1 0 450.509 3.094 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCO1 ZINC001305172469 1068285204 /nfs/dbraw/zinc/28/52/04/1068285204.db2.gz KTTXFZVATJPVCX-LJQANCHMSA-N 1 0 464.655 3.398 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCCC3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCO1 ZINC001305172468 1068285212 /nfs/dbraw/zinc/28/52/12/1068285212.db2.gz KTTXFZVATJPVCX-IBGZPJMESA-N 1 0 464.655 3.398 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[NH+](C)C ZINC001303732112 1068287464 /nfs/dbraw/zinc/28/74/64/1068287464.db2.gz SGYJRJOQMQHDLD-QGZVFWFLSA-N 1 0 483.020 3.118 20 0 JGADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@H+](C)C1CC1 ZINC001303732556 1068288267 /nfs/dbraw/zinc/28/82/67/1068288267.db2.gz VDCNLYUHOYUPES-KRWDZBQOSA-N 1 0 473.668 3.453 20 0 JGADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CCOc2ccccc2)CC1)[NH+](C)C ZINC001303733516 1068289617 /nfs/dbraw/zinc/28/96/17/1068289617.db2.gz XIBBYQVAQAPSMZ-FQEVSTJZSA-N 1 0 454.644 3.082 20 0 JGADRO C[C@@H](Cn1c(CC2CC2)nnc1N1CC[NH+](CC2CCOCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303733264 1068289693 /nfs/dbraw/zinc/28/96/93/1068289693.db2.gz SSWDVFCLTAIASP-IBGZPJMESA-N 1 0 476.666 3.035 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCCCC2)CCN1CC(F)(F)F ZINC001305176929 1068289931 /nfs/dbraw/zinc/28/99/31/1068289931.db2.gz CNSWVRIKSRNVIC-OALUTQOASA-N 1 0 458.573 3.469 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCCCC2)CCN1CC(F)(F)F ZINC001305176927 1068289945 /nfs/dbraw/zinc/28/99/45/1068289945.db2.gz CNSWVRIKSRNVIC-MOPGFXCFSA-N 1 0 458.573 3.469 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC001305177573 1068291512 /nfs/dbraw/zinc/29/15/12/1068291512.db2.gz XMCYBYDPUDKUAV-RTBURBONSA-N 1 0 472.600 3.367 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC001305177537 1068291601 /nfs/dbraw/zinc/29/16/01/1068291601.db2.gz WZQACTVJYJFCMY-RTBURBONSA-N 1 0 462.639 3.102 20 0 JGADRO C[C@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303734900 1068291755 /nfs/dbraw/zinc/29/17/55/1068291755.db2.gz QXSIIZSEMRSGPT-CTNGQTDRSA-N 1 0 456.635 3.364 20 0 JGADRO C[C@H](c1nccs1)N1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001303735745 1068293388 /nfs/dbraw/zinc/29/33/88/1068293388.db2.gz CSHBUNJATZWLOA-ZWKOTPCHSA-N 1 0 473.622 3.286 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC(C)(C)O1 ZINC001305179480 1068295432 /nfs/dbraw/zinc/29/54/32/1068295432.db2.gz ODSFTXWJDPZSOG-FPOVZHCZSA-N 1 0 457.619 3.165 20 0 JGADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+](C)C ZINC001303738747 1068298950 /nfs/dbraw/zinc/29/89/50/1068298950.db2.gz VPCYSUATMDZZNP-HUUCEWRRSA-N 1 0 469.417 3.206 20 0 JGADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303739117 1068299406 /nfs/dbraw/zinc/29/94/06/1068299406.db2.gz XNDYILUIBAUHRJ-GOSISDBHSA-N 1 0 487.624 3.109 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001303739089 1068299426 /nfs/dbraw/zinc/29/94/26/1068299426.db2.gz XJHAEZIMJXDDBA-PZJWPPBQSA-N 1 0 468.646 3.306 20 0 JGADRO C[C@H](Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001303739209 1068299446 /nfs/dbraw/zinc/29/94/46/1068299446.db2.gz PAXLIPXXRQXIBK-IRLDBZIGSA-N 1 0 488.702 3.100 20 0 JGADRO C[C@H](Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1)[NH+](C)C ZINC001303742627 1068301270 /nfs/dbraw/zinc/30/12/70/1068301270.db2.gz CAOVIWGZIYKQCW-GOSISDBHSA-N 1 0 450.553 3.383 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183709 1068301408 /nfs/dbraw/zinc/30/14/08/1068301408.db2.gz RMSIDPITESPJDT-XUVXKRRUSA-N 1 0 451.681 3.173 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Nc2cccnn2)CC1)[NH+](C)C ZINC001303742684 1068301764 /nfs/dbraw/zinc/30/17/64/1068301764.db2.gz DBSWPWXNJIGYCM-YFVAEKQCSA-N 1 0 456.639 3.018 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001303742800 1068301815 /nfs/dbraw/zinc/30/18/15/1068301815.db2.gz GLXLYAUKOOCRNI-JYJNAYRXSA-N 1 0 476.544 3.068 20 0 JGADRO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ccc(O)cc2)CC1)[NH+](C)C ZINC001303743646 1068303096 /nfs/dbraw/zinc/30/30/96/1068303096.db2.gz PATWGIWVVMCQEK-AQNXPRMDSA-N 1 0 499.660 3.031 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC001305184920 1068303121 /nfs/dbraw/zinc/30/31/21/1068303121.db2.gz JHDQVSZAPQDWMT-ZVDOUQERSA-N 1 0 492.665 3.075 20 0 JGADRO C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C[NH+]1CCCC1 ZINC001303743868 1068303598 /nfs/dbraw/zinc/30/35/98/1068303598.db2.gz 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HURKVBYMNWMFCD-KRWDZBQOSA-N 1 0 487.450 3.247 20 0 JGADRO C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC(C)(C)C)C[NH+]1CCCC1 ZINC001303745965 1068306577 /nfs/dbraw/zinc/30/65/77/1068306577.db2.gz QQEHAIUZPZLLJJ-GOSISDBHSA-N 1 0 451.619 3.406 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)CC(C)(C)C1 ZINC001305188496 1068307939 /nfs/dbraw/zinc/30/79/39/1068307939.db2.gz ZKZHQMYINUPMLF-PMACEKPBSA-N 1 0 494.681 3.037 20 0 JGADRO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC001303747080 1068308493 /nfs/dbraw/zinc/30/84/93/1068308493.db2.gz ODUDPVKDOZZARM-KRWDZBQOSA-N 1 0 469.540 3.425 20 0 JGADRO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2ccccc2o1)C[NH+]1CCCC1 ZINC001303747450 1068308672 /nfs/dbraw/zinc/30/86/72/1068308672.db2.gz QWMMIGNXJHZKEK-QZTJIDSGSA-N 1 0 474.631 3.003 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303748247 1068309944 /nfs/dbraw/zinc/30/99/44/1068309944.db2.gz 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ZYQLQNQEXBENTO-MQSCRBSSSA-N 1 0 495.672 3.007 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1CCOC1)C[NH+]1CCOCC1 ZINC001303755426 1068319035 /nfs/dbraw/zinc/31/90/35/1068319035.db2.gz NMXUTWMAMONANL-RDJZCZTQSA-N 1 0 454.402 3.445 20 0 JGADRO CCC1([NH+]2CCC2)CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 ZINC001303755518 1068319122 /nfs/dbraw/zinc/31/91/22/1068319122.db2.gz IPPSAPSKPXMMTQ-UHFFFAOYSA-N 1 0 450.377 3.042 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001303755369 1068319242 /nfs/dbraw/zinc/31/92/42/1068319242.db2.gz WQXQBCAFIMCUTO-AQNXPRMDSA-N 1 0 472.600 3.367 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001303755583 1068319696 /nfs/dbraw/zinc/31/96/96/1068319696.db2.gz XFEDNWZCQXKXRZ-SFHVURJKSA-N 1 0 466.552 3.280 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O)C[NH+]1CCCCC1 ZINC001303757794 1068321061 /nfs/dbraw/zinc/32/10/61/1068321061.db2.gz ZNDUFNLTCJVDBI-AABGKKOBSA-N 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C[C@H](C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1)c1ccc(I)cc1 ZINC001305210734 1068340321 /nfs/dbraw/zinc/34/03/21/1068340321.db2.gz VBBGEFZARGNVRX-INIZCTEOSA-N 1 0 456.368 3.234 20 0 JGADRO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CCCO1 ZINC001305212211 1068342661 /nfs/dbraw/zinc/34/26/61/1068342661.db2.gz IFBIPTJXAAQMEB-FQEVSTJZSA-N 1 0 491.080 3.399 20 0 JGADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C(F)(F)F)O1 ZINC001305212912 1068344229 /nfs/dbraw/zinc/34/42/29/1068344229.db2.gz VJKLEVFNRMTWAL-IPMKNSEASA-N 1 0 486.583 3.211 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCCCCC1 ZINC001303770777 1068345479 /nfs/dbraw/zinc/34/54/79/1068345479.db2.gz CKYTXJVYTSQCCH-INIZCTEOSA-N 1 0 472.030 3.483 20 0 JGADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)C[NH+](C)C)CC(=O)N1C ZINC001305214371 1068347835 /nfs/dbraw/zinc/34/78/35/1068347835.db2.gz ZMQYTSYHASKCOV-OAHLLOKOSA-N 1 0 483.444 3.419 20 0 JGADRO 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C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(CCOc2ccccc2)n1CCN(C)CC(F)(F)F ZINC001305221209 1068359323 /nfs/dbraw/zinc/35/93/23/1068359323.db2.gz GURDWFOWGPCYFW-RTBURBONSA-N 1 0 466.552 3.067 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(CCOc2ccccc2)n1CCN(C)CC(F)(F)F ZINC001305221207 1068359417 /nfs/dbraw/zinc/35/94/17/1068359417.db2.gz GURDWFOWGPCYFW-OALUTQOASA-N 1 0 466.552 3.067 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)C(C)(C)C ZINC001305221531 1068360177 /nfs/dbraw/zinc/36/01/77/1068360177.db2.gz HYGWRGLZCAKQNP-VNTMZGSJSA-N 1 0 481.707 3.083 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc([C@H]2CCCOC2)n1CCCCNC(=O)OC(C)(C)C ZINC001305222064 1068361461 /nfs/dbraw/zinc/36/14/61/1068361461.db2.gz JOFXMUISNOINFT-AABGKKOBSA-N 1 0 462.639 3.150 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccncc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305222743 1068363385 /nfs/dbraw/zinc/36/33/85/1068363385.db2.gz MDLNRWKVTPFNLF-UYAOXDASSA-N 1 0 469.634 3.240 20 0 JGADRO C[C@@H]1C[NH+](CCCn2c(N3CCN(C(=O)c4cccc(F)c4)CC3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305223556 1068364787 /nfs/dbraw/zinc/36/47/87/1068364787.db2.gz TWHIKSPXULSQOT-WOJBJXKFSA-N 1 0 486.636 3.176 20 0 JGADRO C[C@@H]1C[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N(C)C[C@H]2CCCOC2)C[C@@H](C)O1 ZINC001305223702 1068365349 /nfs/dbraw/zinc/36/53/49/1068365349.db2.gz VPPUBTWBXHJYCT-NJDAHSKKSA-N 1 0 475.609 3.358 20 0 JGADRO C[C@@H]1C[N@@H+](CCCn2c(N3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305224095 1068366100 /nfs/dbraw/zinc/36/61/00/1068366100.db2.gz WOFMQOMSMWANQW-FXELSEDVSA-N 1 0 490.693 3.378 20 0 JGADRO CC(F)(F)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001303786694 1068367140 /nfs/dbraw/zinc/36/71/40/1068367140.db2.gz HQZGEYPAQFRHDR-IBGZPJMESA-N 1 0 473.634 3.318 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)C(C)(C)C ZINC001305224656 1068367547 /nfs/dbraw/zinc/36/75/47/1068367547.db2.gz RQFPTHARSQPJMB-RBBKRZOGSA-N 1 0 473.687 3.340 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cccc4cccnc43)n2CCOCC[NH+](C)C)CC1)C(F)(F)F ZINC001303787498 1068368827 /nfs/dbraw/zinc/36/88/27/1068368827.db2.gz FUTVAPGZJBOKTO-GOSISDBHSA-N 1 0 491.562 3.144 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOCCCO ZINC001305226361 1068370908 /nfs/dbraw/zinc/37/09/08/1068370908.db2.gz YUKSEWNFOZIOKC-RBBKRZOGSA-N 1 0 471.646 3.227 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCCC2)CC1)C(F)(F)F ZINC001303788821 1068371271 /nfs/dbraw/zinc/37/12/71/1068371271.db2.gz PRDRWCQTRDOANY-QGZVFWFLSA-N 1 0 453.557 3.231 20 0 JGADRO C[C@@H]1COCC[C@H]1Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(F)(F)F ZINC001305226727 1068371419 /nfs/dbraw/zinc/37/14/19/1068371419.db2.gz IWVAXCWOLFIOCN-UXHICEINSA-N 1 0 480.579 3.314 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccs2)[NH+](C)C)CC1)C(F)(F)F ZINC001303789060 1068371998 /nfs/dbraw/zinc/37/19/98/1068371998.db2.gz QVUNVBMUKBDABO-DOTOQJQBSA-N 1 0 480.564 3.172 20 0 JGADRO C[C@@H]1COCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001305229594 1068374595 /nfs/dbraw/zinc/37/45/95/1068374595.db2.gz XPKYARHRYRYDOS-FYYLOGMGSA-N 1 0 488.721 3.358 20 0 JGADRO C[C@@H]1COCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001305230302 1068375605 /nfs/dbraw/zinc/37/56/05/1068375605.db2.gz SGYDDWRVPSNNPF-WOJBJXKFSA-N 1 0 496.578 3.028 20 0 JGADRO C[C@H]1COCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C1CCCCC1 ZINC001305232781 1068378792 /nfs/dbraw/zinc/37/87/92/1068378792.db2.gz SDTKBYCHLYQPOZ-PZJWPPBQSA-N 1 0 492.665 3.076 20 0 JGADRO C[C@H](N1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303793840 1068379199 /nfs/dbraw/zinc/37/91/99/1068379199.db2.gz ZXDHVARULZJDHL-IBGZPJMESA-N 1 0 479.595 3.459 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CC3)nnc2N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001303796196 1068384480 /nfs/dbraw/zinc/38/44/80/1068384480.db2.gz IDYFXOBSEGTFPV-AZUAARDMSA-N 1 0 476.666 3.130 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCCC[NH+]2CCOCC2)C1 ZINC001303798809 1068390800 /nfs/dbraw/zinc/39/08/00/1068390800.db2.gz SJUXPXGVYQGBDJ-LEWJYISDSA-N 1 0 499.660 3.192 20 0 JGADRO C[C@@H]1N(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCOCC2)CCOC1(C)C ZINC001305241457 1068391756 /nfs/dbraw/zinc/39/17/56/1068391756.db2.gz DHKOTKCMOGCGBT-FQEVSTJZSA-N 1 0 457.619 3.014 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001303799132 1068391908 /nfs/dbraw/zinc/39/19/08/1068391908.db2.gz SBXUBGQAYLWQJC-UFYCRDLUSA-N 1 0 478.682 3.499 20 0 JGADRO C[C@H]1N(c2nnc(-c3ccc(Cl)nc3)n2CC2CC[NH+](CCN(C)C)CC2)CCOC1(C)C ZINC001305241714 1068392281 /nfs/dbraw/zinc/39/22/81/1068392281.db2.gz OCUMAOCKNCWBQA-GOSISDBHSA-N 1 0 476.069 3.271 20 0 JGADRO C[C@H]1N(c2nnc(C(C)(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)CCOC1(C)C ZINC001305242001 1068392721 /nfs/dbraw/zinc/39/27/21/1068392721.db2.gz WIFDJRJAMAEFGR-OAQYLSRUSA-N 1 0 454.663 3.397 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001303800878 1068395971 /nfs/dbraw/zinc/39/59/71/1068395971.db2.gz YXGYRSTXKXZAIN-CTNGQTDRSA-N 1 0 497.669 3.268 20 0 JGADRO CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)c2)cc1 ZINC001303802370 1068399104 /nfs/dbraw/zinc/39/91/04/1068399104.db2.gz VLGNDXNAVFINMU-JLTOFOAXSA-N 1 0 451.976 3.362 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 ZINC001303802968 1068400543 /nfs/dbraw/zinc/40/05/43/1068400543.db2.gz GOFWHTBUUVTJKK-UXHICEINSA-N 1 0 461.614 3.060 20 0 JGADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+](C)C1CCCC1 ZINC001303803076 1068401230 /nfs/dbraw/zinc/40/12/30/1068401230.db2.gz IJXQEUAVJXIFLM-JKSUJKDBSA-N 1 0 484.617 3.238 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC001303803103 1068401266 /nfs/dbraw/zinc/40/12/66/1068401266.db2.gz IRRLECIUTXIEME-PZJWPPBQSA-N 1 0 461.614 3.095 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccccc1 ZINC001303805116 1068406645 /nfs/dbraw/zinc/40/66/45/1068406645.db2.gz WXKHPVKSTDAMNB-UNMCSNQZSA-N 1 0 475.641 3.485 20 0 JGADRO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001303805520 1068408937 /nfs/dbraw/zinc/40/89/37/1068408937.db2.gz ZCPJTVSPXZSLNO-YQVWRLOYSA-N 1 0 476.672 3.450 20 0 JGADRO C[C@@H]1OCC[C@@]12CN(c1nnc(CCCc3ccccc3)n1CC(C)(C)C[NH+](C)C)CCO2 ZINC001305250442 1068409210 /nfs/dbraw/zinc/40/92/10/1068409210.db2.gz BUGAFKVFLHVPBA-HFZDXXHNSA-N 1 0 455.647 3.425 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CCN1CCOCC1)c1ccccc1 ZINC001303805849 1068409565 /nfs/dbraw/zinc/40/95/65/1068409565.db2.gz ZMXKKUPTIMNKJD-FYYLOGMGSA-N 1 0 470.662 3.418 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(C)CCC1 ZINC001303805902 1068410258 /nfs/dbraw/zinc/41/02/58/1068410258.db2.gz GHJFRVGNOOGHEC-TZIWHRDSSA-N 1 0 474.675 3.179 20 0 JGADRO C[C@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C(C)(C)C)cc3)n1CCOCC[NH+](C)C)CCO2 ZINC001305254054 1068415274 /nfs/dbraw/zinc/41/52/74/1068415274.db2.gz WYZGGXXMCKWYRL-FQRUVTKNSA-N 1 0 471.646 3.205 20 0 JGADRO CC(C)n1nc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001305254434 1068415316 /nfs/dbraw/zinc/41/53/16/1068415316.db2.gz HNNGTSHZUPYLFR-RTBURBONSA-N 1 0 499.685 3.144 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc(F)cc(F)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001303811768 1068421024 /nfs/dbraw/zinc/42/10/24/1068421024.db2.gz YKMAKNNMUAHNHE-MRXNPFEDSA-N 1 0 484.617 3.067 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303812262 1068422517 /nfs/dbraw/zinc/42/25/17/1068422517.db2.gz WGZBVHDJDHNVQH-DYESRHJHSA-N 1 0 480.654 3.174 20 0 JGADRO C[C@@H]1SCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[NH+]2CCOCC2)[C@H]1C ZINC001305258026 1068422594 /nfs/dbraw/zinc/42/25/94/1068422594.db2.gz SMCHCURKKCDJFO-IRXDYDNUSA-N 1 0 451.040 3.436 20 0 JGADRO C[C@@H]1SCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@@H+]2CCCO)[C@H]1C ZINC001305258166 1068423099 /nfs/dbraw/zinc/42/30/99/1068423099.db2.gz SZQXRRLSLNIVPC-XYJFISCASA-N 1 0 451.040 3.171 20 0 JGADRO C[C@@H]1SCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001305258945 1068424956 /nfs/dbraw/zinc/42/49/56/1068424956.db2.gz YCBUVIJIDHIELI-PMACEKPBSA-N 1 0 456.660 3.366 20 0 JGADRO C[C@H]1SCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([NH+](C)C)CCOCC2)[C@@H]1C ZINC001305259469 1068425565 /nfs/dbraw/zinc/42/55/65/1068425565.db2.gz YIRRCYIFSKEYAS-HZPDHXFCSA-N 1 0 451.040 3.435 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccsc2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001303815076 1068426938 /nfs/dbraw/zinc/42/69/38/1068426938.db2.gz OHBBPWHBUHKNCB-WMZOPIPTSA-N 1 0 478.644 3.016 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccsc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001303815073 1068426998 /nfs/dbraw/zinc/42/69/98/1068426998.db2.gz OHBBPWHBUHKNCB-SJLPKXTDSA-N 1 0 478.644 3.016 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001305260640 1068427489 /nfs/dbraw/zinc/42/74/89/1068427489.db2.gz BLFBBFKWSGNLLI-QFIPXVFZSA-N 1 0 461.614 3.357 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)(F)C2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303817969 1068431523 /nfs/dbraw/zinc/43/15/23/1068431523.db2.gz VREPVNWJWYTOKH-LPHOPBHVSA-N 1 0 488.649 3.167 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001305262803 1068435941 /nfs/dbraw/zinc/43/59/41/1068435941.db2.gz DNHXWTSKKLPLOH-PKOBYXMFSA-N 1 0 471.631 3.025 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001303820211 1068436150 /nfs/dbraw/zinc/43/61/50/1068436150.db2.gz LTOHAWOETJVSHO-FUHWJXTLSA-N 1 0 482.676 3.097 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305263402 1068437219 /nfs/dbraw/zinc/43/72/19/1068437219.db2.gz CQCSYDRNKMBLRI-FYYLOGMGSA-N 1 0 467.662 3.271 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001305265051 1068444100 /nfs/dbraw/zinc/44/41/00/1068444100.db2.gz MBKSREBQEMJFNN-FQEVSTJZSA-N 1 0 475.037 3.204 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001305265306 1068445528 /nfs/dbraw/zinc/44/55/28/1068445528.db2.gz PDTXIZYYIJPDHR-YADHBBJMSA-N 1 0 489.064 3.450 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001305265597 1068446294 /nfs/dbraw/zinc/44/62/94/1068446294.db2.gz HNJZCPAAQJBBCH-IRLDBZIGSA-N 1 0 454.619 3.001 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001303829088 1068451595 /nfs/dbraw/zinc/45/15/95/1068451595.db2.gz XYYDLVGXWRILES-NXQKYAITSA-N 1 0 492.665 3.345 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001305267158 1068452653 /nfs/dbraw/zinc/45/26/53/1068452653.db2.gz UZWOVPFVUJAYNO-OAQYLSRUSA-N 1 0 484.645 3.333 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001305267671 1068455227 /nfs/dbraw/zinc/45/52/27/1068455227.db2.gz VWELGMDGEFSCLK-OAQYLSRUSA-N 1 0 489.064 3.329 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303830942 1068455325 /nfs/dbraw/zinc/45/53/25/1068455325.db2.gz MQPYVZOJQHDPJQ-JSSYZSAGSA-N 1 0 488.702 3.424 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001305268011 1068455992 /nfs/dbraw/zinc/45/59/92/1068455992.db2.gz QXHAVVQHBUHVDM-FCHUYYIVSA-N 1 0 489.064 3.330 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC1=CCCCC1 ZINC001303832175 1068457852 /nfs/dbraw/zinc/45/78/52/1068457852.db2.gz ULFNULYTDSJLPU-RTWAWAEBSA-N 1 0 486.686 3.490 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303832195 1068457957 /nfs/dbraw/zinc/45/79/57/1068457957.db2.gz UZQBONJIYSFLTE-RBUKOAKNSA-N 1 0 466.696 3.027 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CC1(C)C ZINC001303833381 1068461393 /nfs/dbraw/zinc/46/13/93/1068461393.db2.gz HBRZUGOZEWKXCB-DYXWJJEUSA-N 1 0 480.723 3.415 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305269928 1068462154 /nfs/dbraw/zinc/46/21/54/1068462154.db2.gz UYIZIHZKMHGZHF-FGZHOGPDSA-N 1 0 489.064 3.450 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CCCS1 ZINC001303835069 1068464113 /nfs/dbraw/zinc/46/41/13/1068464113.db2.gz VOYCTOWFRHROJY-SVFBPWRDSA-N 1 0 498.763 3.265 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001303836476 1068465847 /nfs/dbraw/zinc/46/58/47/1068465847.db2.gz MAWQDFUSSUVHIQ-TYPHKJRUSA-N 1 0 484.686 3.119 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001305270816 1068466887 /nfs/dbraw/zinc/46/68/87/1068466887.db2.gz UFRZBXJUUYAVGB-HXUWFJFHSA-N 1 0 453.635 3.266 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001303839730 1068469072 /nfs/dbraw/zinc/46/90/72/1068469072.db2.gz PCWIBYYSTUVXLR-WIYYLYMNSA-N 1 0 492.665 3.070 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001303839725 1068469088 /nfs/dbraw/zinc/46/90/88/1068469088.db2.gz PCWIBYYSTUVXLR-GHTZIAJQSA-N 1 0 492.665 3.070 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001303842216 1068470390 /nfs/dbraw/zinc/47/03/90/1068470390.db2.gz LZMDCGRFUHLACK-YLJYHZDGSA-N 1 0 478.638 3.101 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001303842213 1068470398 /nfs/dbraw/zinc/47/03/98/1068470398.db2.gz LZMDCGRFUHLACK-FXAWDEMLSA-N 1 0 478.638 3.101 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001305272644 1068472224 /nfs/dbraw/zinc/47/22/24/1068472224.db2.gz YBDCEEDVDFTCJL-VXKWHMMOSA-N 1 0 456.610 3.377 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305272951 1068474131 /nfs/dbraw/zinc/47/41/31/1068474131.db2.gz ZBULBGZWXJGRHL-RTBURBONSA-N 1 0 474.600 3.374 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001305278124 1068480018 /nfs/dbraw/zinc/48/00/18/1068480018.db2.gz OHWZULCMLNXGKT-XPWALMASSA-N 1 0 468.646 3.490 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC1=CCCCC1 ZINC001303850323 1068485458 /nfs/dbraw/zinc/48/54/58/1068485458.db2.gz SSRLNVOYOCLZMF-JAXLGGSGSA-N 1 0 478.707 3.480 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCCc1ccccc1 ZINC001303851539 1068489714 /nfs/dbraw/zinc/48/97/14/1068489714.db2.gz FKGIIIZLMLLPOQ-FQEVSTJZSA-N 1 0 476.691 3.222 20 0 JGADRO CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001305287831 1068490273 /nfs/dbraw/zinc/49/02/73/1068490273.db2.gz LASYWKJAIUWFDR-CLOONOSVSA-N 1 0 485.608 3.164 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCCCC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001303851670 1068490276 /nfs/dbraw/zinc/49/02/76/1068490276.db2.gz HFROFKPLFHQWDB-LJQANCHMSA-N 1 0 484.736 3.020 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CC1([NH+](C)C)CCCC1 ZINC001303852957 1068492368 /nfs/dbraw/zinc/49/23/68/1068492368.db2.gz NKNAPYYMWASDLT-IAGOWNOFSA-N 1 0 466.677 3.166 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccc(O)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303853233 1068493088 /nfs/dbraw/zinc/49/30/88/1068493088.db2.gz OPRRKEGEKLHQHL-RXVVDRJESA-N 1 0 490.674 3.057 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CC[NH+]1CCCCCC1 ZINC001303853357 1068493685 /nfs/dbraw/zinc/49/36/85/1068493685.db2.gz QGBFLXVMAGBASD-NFBKMPQASA-N 1 0 464.680 3.091 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccc(C2CC2)c1 ZINC001303855118 1068494804 /nfs/dbraw/zinc/49/48/04/1068494804.db2.gz WCJWEMZVEBSBNK-GOSISDBHSA-N 1 0 474.675 3.125 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001305292048 1068495346 /nfs/dbraw/zinc/49/53/46/1068495346.db2.gz DKEIVHZARDNWLO-AREMUKBSSA-N 1 0 498.075 3.409 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC1CC(C)(C)C1 ZINC001303855911 1068495847 /nfs/dbraw/zinc/49/58/47/1068495847.db2.gz BNLPFOSJJULMFR-LJQANCHMSA-N 1 0 474.675 3.037 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@]3(CC=CCC3)C2)C1 ZINC001303856619 1068496940 /nfs/dbraw/zinc/49/69/40/1068496940.db2.gz YTPNZQWOAHIJMG-YZUZCNPQSA-N 1 0 478.707 3.335 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cccc(F)c1)C(C)C ZINC001303856455 1068496983 /nfs/dbraw/zinc/49/69/83/1068496983.db2.gz WANGLPMOWQOFFE-RXVVDRJESA-N 1 0 480.654 3.488 20 0 JGADRO CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305293708 1068498138 /nfs/dbraw/zinc/49/81/38/1068498138.db2.gz IQULBFURVBUJSZ-YPCDYVTLSA-N 1 0 488.652 3.323 20 0 JGADRO CC(C)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001303858704 1068499232 /nfs/dbraw/zinc/49/92/32/1068499232.db2.gz VNQRFIVOTBNQOP-FQEVSTJZSA-N 1 0 474.675 3.037 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303859007 1068499882 /nfs/dbraw/zinc/49/98/82/1068499882.db2.gz ZIDXJJXTIHMGEM-ZIFCJYIRSA-N 1 0 492.671 3.057 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1cccc(C(F)F)c1 ZINC001303862651 1068500915 /nfs/dbraw/zinc/50/09/15/1068500915.db2.gz JOIJTRJRPRAWLZ-QGZVFWFLSA-N 1 0 496.628 3.329 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC1=CCCCC1 ZINC001303862968 1068501135 /nfs/dbraw/zinc/50/11/35/1068501135.db2.gz MFQMRAHVKYIRBJ-IBGZPJMESA-N 1 0 464.680 3.234 20 0 JGADRO C[NH+](C)CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1cccnc1 ZINC001303873849 1068508658 /nfs/dbraw/zinc/50/86/58/1068508658.db2.gz JFLQACYQWKCGBA-QFIPXVFZSA-N 1 0 456.543 3.444 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303874885 1068509118 /nfs/dbraw/zinc/50/91/18/1068509118.db2.gz FKUAMYNCTBFOER-OALUTQOASA-N 1 0 498.763 3.265 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001305303640 1068512767 /nfs/dbraw/zinc/51/27/67/1068512767.db2.gz ZKFBPWOTHDYJMH-SANMLTNESA-N 1 0 470.662 3.110 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303879059 1068514361 /nfs/dbraw/zinc/51/43/61/1068514361.db2.gz VFOLUKWZCXYZQZ-MJQMVNBJSA-N 1 0 490.665 3.126 20 0 JGADRO CC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001305307339 1068515250 /nfs/dbraw/zinc/51/52/50/1068515250.db2.gz LKJPMUHGXGJOFR-DYLHXGEVSA-N 1 0 490.643 3.303 20 0 JGADRO C[C@@](O)(C1CCN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1)C(F)(F)F ZINC001303881120 1068519416 /nfs/dbraw/zinc/51/94/16/1068519416.db2.gz VGFJMTNFSZXEDH-AUSIDOKSSA-N 1 0 496.578 3.107 20 0 JGADRO CC[C@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001305313058 1068525149 /nfs/dbraw/zinc/52/51/49/1068525149.db2.gz ORZUWPHMDISDMM-RLWLMLJZSA-N 1 0 471.646 3.324 20 0 JGADRO CC[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001305315295 1068529355 /nfs/dbraw/zinc/52/93/55/1068529355.db2.gz ZKASWEGJRJKGNS-SANMLTNESA-N 1 0 488.652 3.152 20 0 JGADRO CC[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001305315649 1068529807 /nfs/dbraw/zinc/52/98/07/1068529807.db2.gz UAUUEIMHXMPRTJ-SANMLTNESA-N 1 0 455.647 3.163 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001303893451 1068531968 /nfs/dbraw/zinc/53/19/68/1068531968.db2.gz SXAFUNNSWBLFIT-UYAOXDASSA-N 1 0 481.638 3.299 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCCC1 ZINC001303894214 1068532007 /nfs/dbraw/zinc/53/20/07/1068532007.db2.gz ZMDZRVAHUKYDNL-AZUAARDMSA-N 1 0 479.622 3.057 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001303893449 1068532022 /nfs/dbraw/zinc/53/20/22/1068532022.db2.gz SXAFUNNSWBLFIT-ICSRJNTNSA-N 1 0 481.638 3.299 20 0 JGADRO CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305316867 1068532138 /nfs/dbraw/zinc/53/21/38/1068532138.db2.gz XXBUYRFWGGLFTK-KBMIEXCESA-N 1 0 471.650 3.281 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)C(C)C ZINC001303895542 1068533286 /nfs/dbraw/zinc/53/32/86/1068533286.db2.gz NMHHJKRKWXPTAM-UUOWRZLLSA-N 1 0 460.598 3.378 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001303895789 1068533835 /nfs/dbraw/zinc/53/38/35/1068533835.db2.gz RTDYYCYOPIYVDU-MSOLQXFVSA-N 1 0 458.582 3.133 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)CC1 ZINC001303896083 1068534932 /nfs/dbraw/zinc/53/49/32/1068534932.db2.gz WZNBMGCPVCNAHM-GOSISDBHSA-N 1 0 470.597 3.291 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001303896933 1068537123 /nfs/dbraw/zinc/53/71/23/1068537123.db2.gz DPFVQHBNNOZLBX-QGZVFWFLSA-N 1 0 458.582 3.004 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001305321498 1068539677 /nfs/dbraw/zinc/53/96/77/1068539677.db2.gz GOUYAFNNDUFAAM-OUDXUNEISA-N 1 0 466.630 3.447 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCO[C@H]2CCOC2)CC1 ZINC001303898727 1068540514 /nfs/dbraw/zinc/54/05/14/1068540514.db2.gz RFQYNJAMZVJQCV-UGKGYDQZSA-N 1 0 461.582 3.283 20 0 JGADRO C[C@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303899809 1068542764 /nfs/dbraw/zinc/54/27/64/1068542764.db2.gz QJGSRAUUWZRIJV-XQBPLPMBSA-N 1 0 493.649 3.445 20 0 JGADRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001305324127 1068544035 /nfs/dbraw/zinc/54/40/35/1068544035.db2.gz RLSZCXICQOITPB-FQRUVTKNSA-N 1 0 487.645 3.060 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303901993 1068545303 /nfs/dbraw/zinc/54/53/03/1068545303.db2.gz WBNLDJKMWQWVGP-QGZVFWFLSA-N 1 0 466.552 3.429 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001303902322 1068545825 /nfs/dbraw/zinc/54/58/25/1068545825.db2.gz WJWWGRGEDMIUFY-FPOVZHCZSA-N 1 0 472.609 3.489 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(F)(F)F ZINC001303904261 1068548560 /nfs/dbraw/zinc/54/85/60/1068548560.db2.gz WAEIUBVOMAZFPH-HOTGVXAUSA-N 1 0 457.472 3.278 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001305330599 1068556322 /nfs/dbraw/zinc/55/63/22/1068556322.db2.gz SFJVJIFZJFMUTO-LCIIEAPSSA-N 1 0 495.734 3.068 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305330611 1068556611 /nfs/dbraw/zinc/55/66/11/1068556611.db2.gz XWHBKLPUQINILR-IFOBJOEFSA-N 1 0 471.694 3.076 20 0 JGADRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001305330917 1068557231 /nfs/dbraw/zinc/55/72/31/1068557231.db2.gz VXQIOIMCXRGPOM-IBVKSMDESA-N 1 0 480.661 3.243 20 0 JGADRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001305330916 1068557451 /nfs/dbraw/zinc/55/74/51/1068557451.db2.gz VXQIOIMCXRGPOM-FQRUVTKNSA-N 1 0 480.661 3.243 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001305331539 1068558797 /nfs/dbraw/zinc/55/87/97/1068558797.db2.gz DJRYGHHVRNZPRT-GAJHUEQPSA-N 1 0 462.664 3.034 20 0 JGADRO CC[C@@H](C)[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001305331549 1068558837 /nfs/dbraw/zinc/55/88/37/1068558837.db2.gz DJRYGHHVRNZPRT-UZUQRXQVSA-N 1 0 462.664 3.034 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001305332020 1068560367 /nfs/dbraw/zinc/56/03/67/1068560367.db2.gz XVRDNLLJHUZKKK-AVRWGWEMSA-N 1 0 474.650 3.360 20 0 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CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1Cc1cnn(C)c1)c1ccccc1 ZINC001305677226 1069032495 /nfs/dbraw/zinc/03/24/95/1069032495.db2.gz MHHWJGBVDSFLED-XZOQPEGZSA-N 1 0 451.619 3.149 20 0 JGADRO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CCN1CCOC(C)(C)C1)c1ccccc1 ZINC001305679629 1069038225 /nfs/dbraw/zinc/03/82/25/1069038225.db2.gz YQPYASRPIBAMNT-UPVQGACJSA-N 1 0 484.689 3.088 20 0 JGADRO CC[C@H](c1nnc(Nc2ccn(C)n2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681858 1069040580 /nfs/dbraw/zinc/04/05/80/1069040580.db2.gz DRGWDSCZUNUARZ-SFTDATJTSA-N 1 0 464.618 3.240 20 0 JGADRO CC[C@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001305683772 1069043137 /nfs/dbraw/zinc/04/31/37/1069043137.db2.gz HROKPCUIVCLDMZ-CIAFKFPVSA-N 1 0 481.597 3.076 20 0 JGADRO CC[C@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC001305685667 1069046543 /nfs/dbraw/zinc/04/65/43/1069046543.db2.gz ODGLUCYSMJRXEK-CAUSLRQDSA-N 1 0 483.657 3.302 20 0 JGADRO CCC(CC)(Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)SC ZINC001305693794 1069064574 /nfs/dbraw/zinc/06/45/74/1069064574.db2.gz AAWLCJMLMIRZPR-HXUWFJFHSA-N 1 0 461.680 3.150 20 0 JGADRO CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)OC ZINC001305697627 1069074292 /nfs/dbraw/zinc/07/42/92/1069074292.db2.gz HBWROMLXRGKFCG-UHFFFAOYSA-N 1 0 456.635 3.018 20 0 JGADRO CCC(CC)[C@@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC001305701636 1069083341 /nfs/dbraw/zinc/08/33/41/1069083341.db2.gz HWFLRFXSLLPKTC-FCHUYYIVSA-N 1 0 460.667 3.130 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)OC)CC1)[NH+]1CCOCC1 ZINC001305702950 1069085353 /nfs/dbraw/zinc/08/53/53/1069085353.db2.gz DYHCHOHQOZPRAQ-XMMPIXPASA-N 1 0 499.656 3.480 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(O)cc2C1)[NH+](C)C ZINC001305703601 1069087120 /nfs/dbraw/zinc/08/71/20/1069087120.db2.gz BMRIXKNWNYRSMM-JOCHJYFZSA-N 1 0 454.619 3.149 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(=O)NC)C1)[NH+](C)C ZINC001305703774 1069087857 /nfs/dbraw/zinc/08/78/57/1069087857.db2.gz AJFWXSNBDWISHK-ZJSXRUAMSA-N 1 0 492.672 3.460 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001305703728 1069087944 /nfs/dbraw/zinc/08/79/44/1069087944.db2.gz JNGDHRNQJCACQE-SVMVAKDDSA-N 1 0 477.675 3.329 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001305705563 1069094043 /nfs/dbraw/zinc/09/40/43/1069094043.db2.gz KYSDPAJMRRVPKF-LSWJPFSZSA-N 1 0 488.652 3.444 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1)[NH+]1CCOCC1 ZINC001305705706 1069094164 /nfs/dbraw/zinc/09/41/64/1069094164.db2.gz QYWLWURYXLCAPF-YIXXDRMTSA-N 1 0 498.672 3.053 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001305705815 1069094828 /nfs/dbraw/zinc/09/48/28/1069094828.db2.gz KIOFYTTWDHMZJE-SFHVURJKSA-N 1 0 469.556 3.393 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001305706107 1069095474 /nfs/dbraw/zinc/09/54/74/1069095474.db2.gz AUIZOWVGQJLMEX-HJNYFJLDSA-N 1 0 470.618 3.255 20 0 JGADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1)[NH+]1CCOCC1 ZINC001305706523 1069095825 /nfs/dbraw/zinc/09/58/25/1069095825.db2.gz WBANUHPSSYRXMW-ZEQRLZLVSA-N 1 0 457.619 3.310 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1)[NH+](C)C ZINC001305706544 1069095868 /nfs/dbraw/zinc/09/58/68/1069095868.db2.gz MYRXHDMZMPVKBG-JOCHJYFZSA-N 1 0 482.633 3.335 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1)[NH+](C)C ZINC001305707065 1069096489 /nfs/dbraw/zinc/09/64/89/1069096489.db2.gz PUHFIGMRVQLPJY-NVQXNPDNSA-N 1 0 470.662 3.189 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1)[NH+](C)C ZINC001305706732 1069096545 /nfs/dbraw/zinc/09/65/45/1069096545.db2.gz PBCFDCHWRDWWSN-APWZRJJASA-N 1 0 482.720 3.269 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(OC)C1)[NH+](C)C ZINC001305706882 1069097073 /nfs/dbraw/zinc/09/70/73/1069097073.db2.gz CWAMCEDGXQTGIK-RCZVLFRGSA-N 1 0 481.649 3.293 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001305707051 1069097390 /nfs/dbraw/zinc/09/73/90/1069097390.db2.gz XXGJHFVZORIKMA-UWJYYQICSA-N 1 0 497.109 3.435 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001305707145 1069097459 /nfs/dbraw/zinc/09/74/59/1069097459.db2.gz QIQBJBKZHQQUMD-ICSRJNTNSA-N 1 0 493.697 3.228 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305707164 1069098088 /nfs/dbraw/zinc/09/80/88/1069098088.db2.gz QCWDBPXQHLTUBR-AZUAARDMSA-N 1 0 450.653 3.043 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)[NH+](C)C ZINC001305707677 1069098854 /nfs/dbraw/zinc/09/88/54/1069098854.db2.gz ROIZCMUOMQAIAO-WIYYLYMNSA-N 1 0 469.638 3.196 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C)[NH+](C)C ZINC001305707752 1069098917 /nfs/dbraw/zinc/09/89/17/1069098917.db2.gz TUBIALSCHCEHDZ-UTKZUKDTSA-N 1 0 477.053 3.453 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)[NH+](C)C ZINC001305708416 1069100502 /nfs/dbraw/zinc/10/05/02/1069100502.db2.gz VKCNDFCDRMGDHD-SQJMNOBHSA-N 1 0 456.635 3.481 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)[NH+](C)C ZINC001305708980 1069102677 /nfs/dbraw/zinc/10/26/77/1069102677.db2.gz LTQMIZONKRKHJN-JOCHJYFZSA-N 1 0 482.608 3.037 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)C(C)=O)CC1)[NH+]1CCOCC1 ZINC001305709215 1069103338 /nfs/dbraw/zinc/10/33/38/1069103338.db2.gz AUYRKIHMDZWLKK-RUZDIDTESA-N 1 0 497.688 3.233 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@](C)(OC)CC1)[NH+]1CCOCC1 ZINC001305709330 1069104095 /nfs/dbraw/zinc/10/40/95/1069104095.db2.gz CHTUGBXTNDSFHH-DHLKQENFSA-N 1 0 471.650 3.268 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001305709723 1069104765 /nfs/dbraw/zinc/10/47/65/1069104765.db2.gz BQAVHACQRJDWEN-QMHWCDLVSA-N 1 0 488.627 3.476 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001305709810 1069105585 /nfs/dbraw/zinc/10/55/85/1069105585.db2.gz GKNXRJKFYMQBTF-IMFGXOCKSA-N 1 0 479.670 3.399 20 0 JGADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001305709995 1069106696 /nfs/dbraw/zinc/10/66/96/1069106696.db2.gz CYQZYRIMUDMTER-FQEVSTJZSA-N 1 0 474.616 3.298 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001305709996 1069106802 /nfs/dbraw/zinc/10/68/02/1069106802.db2.gz CYQZYRIMUDMTER-HXUWFJFHSA-N 1 0 474.616 3.298 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1)[NH+]1CCOCC1 ZINC001305710296 1069107235 /nfs/dbraw/zinc/10/72/35/1069107235.db2.gz UHMDSMAFUNJVFF-NRFANRHFSA-N 1 0 475.037 3.062 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1)[NH+]1CCOCC1 ZINC001305710297 1069107265 /nfs/dbraw/zinc/10/72/65/1069107265.db2.gz UHMDSMAFUNJVFF-OAQYLSRUSA-N 1 0 475.037 3.062 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](OC)C(C)(C)C1)[NH+](C)C ZINC001305710255 1069107312 /nfs/dbraw/zinc/10/73/12/1069107312.db2.gz IOGSSKZFUXBQFB-AZUAARDMSA-N 1 0 460.623 3.233 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001305710483 1069107861 /nfs/dbraw/zinc/10/78/61/1069107861.db2.gz HNZYMFNXALTQTI-YTFSRNRJSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001305710480 1069107897 /nfs/dbraw/zinc/10/78/97/1069107897.db2.gz HNZYMFNXALTQTI-RJGXRXQPSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)[C@H]1CC)[NH+](C)C ZINC001305711133 1069109571 /nfs/dbraw/zinc/10/95/71/1069109571.db2.gz KRYNZOOLRPQYMJ-NHCUHLMSSA-N 1 0 462.589 3.228 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1)[NH+](C)C ZINC001305711189 1069110056 /nfs/dbraw/zinc/11/00/56/1069110056.db2.gz ZEXVMXWQKWKDFE-HSZRJFAPSA-N 1 0 456.635 3.379 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1)[NH+](C)C ZINC001305711526 1069110065 /nfs/dbraw/zinc/11/00/65/1069110065.db2.gz OCZONSPJSNDSJT-WAGURGNTSA-N 1 0 460.667 3.239 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001305711194 1069110067 /nfs/dbraw/zinc/11/00/67/1069110067.db2.gz MQCJWFMJMIKUCK-VQTJNVASSA-N 1 0 460.648 3.064 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2nc(C)cc2C)CC1)[NH+](C)C ZINC001305711260 1069110115 /nfs/dbraw/zinc/11/01/15/1069110115.db2.gz NMSLJHWDPAFSMB-GOTSBHOMSA-N 1 0 484.693 3.326 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001305711196 1069110119 /nfs/dbraw/zinc/11/01/19/1069110119.db2.gz MQCJWFMJMIKUCK-WOJBJXKFSA-N 1 0 460.648 3.064 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305711538 1069110486 /nfs/dbraw/zinc/11/04/86/1069110486.db2.gz OPZIMPYCLNZOIS-IFMALSPDSA-N 1 0 476.691 3.418 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001305711473 1069110530 /nfs/dbraw/zinc/11/05/30/1069110530.db2.gz BWSGCNPODCNVLD-GOTSBHOMSA-N 1 0 483.661 3.244 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1)[NH+](C)C ZINC001305711605 1069110993 /nfs/dbraw/zinc/11/09/93/1069110993.db2.gz PQBNIGGLGIZPAR-QHCPKHFHSA-N 1 0 494.644 3.274 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001305711712 1069111072 /nfs/dbraw/zinc/11/10/72/1069111072.db2.gz NWIWYFORTQPRAE-HSZRJFAPSA-N 1 0 467.662 3.079 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCn2nc(C)nc2C1)[NH+](C)C ZINC001305711702 1069111120 /nfs/dbraw/zinc/11/11/20/1069111120.db2.gz NVMDCWBMPLTEOA-NRFANRHFSA-N 1 0 466.634 3.164 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001305712730 1069113086 /nfs/dbraw/zinc/11/30/86/1069113086.db2.gz VMEOKNRWLGTWNA-RXVVDRJESA-N 1 0 483.690 3.441 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC001305713282 1069114603 /nfs/dbraw/zinc/11/46/03/1069114603.db2.gz FNOWAMLPSKXWAU-PKTZIBPZSA-N 1 0 486.636 3.484 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC001305713281 1069114737 /nfs/dbraw/zinc/11/47/37/1069114737.db2.gz FNOWAMLPSKXWAU-GOTSBHOMSA-N 1 0 486.636 3.484 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305713350 1069115339 /nfs/dbraw/zinc/11/53/39/1069115339.db2.gz UUHYRKIVYZVSDF-FCHUYYIVSA-N 1 0 479.666 3.388 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305713352 1069115367 /nfs/dbraw/zinc/11/53/67/1069115367.db2.gz UUHYRKIVYZVSDF-VXKWHMMOSA-N 1 0 479.666 3.388 20 0 JGADRO CCC(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001305713305 1069115395 /nfs/dbraw/zinc/11/53/95/1069115395.db2.gz FZWVSVMSKQXEIO-SQJMNOBHSA-N 1 0 472.609 3.079 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+](C)C ZINC001305713402 1069115421 /nfs/dbraw/zinc/11/54/21/1069115421.db2.gz VXBIEWXNFWANJG-DHIUTWEWSA-N 1 0 474.694 3.205 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(C)on2)CC1)[NH+](C)C ZINC001305713802 1069116350 /nfs/dbraw/zinc/11/63/50/1069116350.db2.gz CQYDPGFXQHTJIA-FCHUYYIVSA-N 1 0 459.639 3.115 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCOCC1 ZINC001305714079 1069117065 /nfs/dbraw/zinc/11/70/65/1069117065.db2.gz WTODVTKAPIVQIV-NFBKMPQASA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)c1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([NH+](CC)CC)CC2)on1 ZINC001305714386 1069117650 /nfs/dbraw/zinc/11/76/50/1069117650.db2.gz DGPZNJXWEFGUGR-FQEVSTJZSA-N 1 0 457.623 3.480 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001305714485 1069117780 /nfs/dbraw/zinc/11/77/80/1069117780.db2.gz JEZGTEYLIOFKCX-YADHBBJMSA-N 1 0 460.667 3.020 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305714820 1069118467 /nfs/dbraw/zinc/11/84/67/1069118467.db2.gz ZCDXIJHYECOAJV-AMZDPNTKSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)[NH+](C)C ZINC001305714807 1069118883 /nfs/dbraw/zinc/11/88/83/1069118883.db2.gz KXQSRUGCPOAGCH-VABKMULXSA-N 1 0 473.666 3.296 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)[NH+](C)C ZINC001305714809 1069119019 /nfs/dbraw/zinc/11/90/19/1069119019.db2.gz KXQSRUGCPOAGCH-XPWALMASSA-N 1 0 473.666 3.296 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001305714990 1069119063 /nfs/dbraw/zinc/11/90/63/1069119063.db2.gz LSTSPAAZXKCEAF-NNWRFLSQSA-N 1 0 463.667 3.313 20 0 JGADRO CCC(CC)[C@H](Cn1c(N2CCS[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCOCC1 ZINC001305715235 1069120142 /nfs/dbraw/zinc/12/01/42/1069120142.db2.gz MBOYFIMLJMKUMQ-KJWPAHLWSA-N 1 0 495.734 3.397 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1)[NH+](C)C ZINC001305715999 1069121612 /nfs/dbraw/zinc/12/16/12/1069121612.db2.gz OBPSBJRNPVVXCU-YADHBBJMSA-N 1 0 488.681 3.290 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)CC1COC(C)(C)OC1)[NH+]1CCOCC1 ZINC001305716879 1069123500 /nfs/dbraw/zinc/12/35/00/1069123500.db2.gz QGJMGTLQRKESJU-XZOQPEGZSA-N 1 0 493.693 3.492 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC=C(C)C1)[NH+]1CCOCC1 ZINC001305717081 1069124262 /nfs/dbraw/zinc/12/42/62/1069124262.db2.gz WBKKRCZRYISHIW-ZRBLBEILSA-N 1 0 461.651 3.296 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cscn1)[NH+]1CCOCC1 ZINC001305717416 1069124792 /nfs/dbraw/zinc/12/47/92/1069124792.db2.gz SUFNMGWCNONQCP-PZJWPPBQSA-N 1 0 462.664 3.402 20 0 JGADRO CCC(CC)c1cc(Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)on1 ZINC001305719317 1069127282 /nfs/dbraw/zinc/12/72/82/1069127282.db2.gz OCJYKBJRHHOQDB-UHFFFAOYSA-N 1 0 471.650 3.260 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001305724100 1069138082 /nfs/dbraw/zinc/13/80/82/1069138082.db2.gz HXAHNIQQEHWENH-OAHLLOKOSA-N 1 0 496.582 3.070 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[N@@H+]1CCC[C@@H]1C ZINC001305726143 1069143468 /nfs/dbraw/zinc/14/34/68/1069143468.db2.gz VTDCCSHAMDZOMG-HNNXBMFYSA-N 1 0 484.571 3.070 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001305727809 1069146408 /nfs/dbraw/zinc/14/64/08/1069146408.db2.gz WROOAHNMIMIXNF-GOSISDBHSA-N 1 0 477.057 3.237 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305735304 1069155899 /nfs/dbraw/zinc/15/58/99/1069155899.db2.gz FZKAYVMOXIEAML-NNWRFLSQSA-N 1 0 474.694 3.447 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001305737146 1069159737 /nfs/dbraw/zinc/15/97/37/1069159737.db2.gz ZWLVCAORDFQFLD-PMACEKPBSA-N 1 0 482.673 3.294 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001305737344 1069160283 /nfs/dbraw/zinc/16/02/83/1069160283.db2.gz IGZAVXUFNXJQJS-VEXUSMLFSA-N 1 0 482.673 3.436 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737256 1069160322 /nfs/dbraw/zinc/16/03/22/1069160322.db2.gz GZWKUEAXVYDYPM-OALUTQOASA-N 1 0 467.662 3.438 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001305737597 1069160820 /nfs/dbraw/zinc/16/08/20/1069160820.db2.gz KCXCOXXEAPBYCC-WOJBJXKFSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@](C)(O)c1ccccc1Cl ZINC001305737953 1069162840 /nfs/dbraw/zinc/16/28/40/1069162840.db2.gz ARMDQAWMRYVRGO-VDABOFBKSA-N 1 0 489.064 3.431 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CCOc1ncccc1Cl ZINC001305738195 1069162919 /nfs/dbraw/zinc/16/29/19/1069162919.db2.gz LVCYFWAMBABUEC-SJORKVTESA-N 1 0 478.041 3.243 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CC(C)(C)c1ccccn1 ZINC001305739097 1069166405 /nfs/dbraw/zinc/16/64/05/1069166405.db2.gz JEMMSYUBTMLYNI-AZUAARDMSA-N 1 0 453.635 3.242 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741425 1069173678 /nfs/dbraw/zinc/17/36/78/1069173678.db2.gz SBPSYEDJJULVHQ-ZWKOTPCHSA-N 1 0 469.634 3.122 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742024 1069175430 /nfs/dbraw/zinc/17/54/30/1069175430.db2.gz UGGYDZJSYJTLAO-HZPDHXFCSA-N 1 0 476.695 3.313 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001305744865 1069184943 /nfs/dbraw/zinc/18/49/43/1069184943.db2.gz SYSFUQLXAOMOSO-GOSISDBHSA-N 1 0 454.619 3.125 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001305751316 1069197297 /nfs/dbraw/zinc/19/72/97/1069197297.db2.gz NUOGCMCNMUODMI-HSZRJFAPSA-N 1 0 484.693 3.434 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCC1CC[NH+](CC)CC1 ZINC001305752213 1069199374 /nfs/dbraw/zinc/19/93/74/1069199374.db2.gz NXNJSKRLLYLDRQ-SFTDATJTSA-N 1 0 460.667 3.181 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001305752862 1069200925 /nfs/dbraw/zinc/20/09/25/1069200925.db2.gz LPTCKFMNZGRELM-FQEVSTJZSA-N 1 0 484.693 3.264 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](CC(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305753299 1069201951 /nfs/dbraw/zinc/20/19/51/1069201951.db2.gz NSHPRCZBELYZID-HXUWFJFHSA-N 1 0 462.683 3.304 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001305754416 1069204974 /nfs/dbraw/zinc/20/49/74/1069204974.db2.gz DJIOAXHFZFMRKS-YLJYHZDGSA-N 1 0 491.681 3.125 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001305754898 1069205499 /nfs/dbraw/zinc/20/54/99/1069205499.db2.gz HIGIFYUCNGOOEO-NIYFSFCBSA-N 1 0 489.709 3.154 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@@H]1COc2ccccc2O1 ZINC001305755800 1069208535 /nfs/dbraw/zinc/20/85/35/1069208535.db2.gz NVLJFRDAEATFGQ-OAQYLSRUSA-N 1 0 484.645 3.347 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCn1cc(Cl)cn1 ZINC001305756054 1069209581 /nfs/dbraw/zinc/20/95/81/1069209581.db2.gz RXDDTYOYFJJJQL-GOSISDBHSA-N 1 0 477.057 3.059 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC1(F)CCC1 ZINC001305756585 1069211070 /nfs/dbraw/zinc/21/10/70/1069211070.db2.gz IGZMGQRZMZTCKF-OAQYLSRUSA-N 1 0 477.673 3.084 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC1(F)CCC1 ZINC001305756582 1069211266 /nfs/dbraw/zinc/21/12/66/1069211266.db2.gz IGZMGQRZMZTCKF-NRFANRHFSA-N 1 0 477.673 3.084 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3oncc3C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001305758150 1069216512 /nfs/dbraw/zinc/21/65/12/1069216512.db2.gz CFZBTLNCUXWDGF-UHFFFAOYSA-N 1 0 465.602 3.247 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cccc(N2CCOCC2)c1 ZINC001305758303 1069216946 /nfs/dbraw/zinc/21/69/46/1069216946.db2.gz JBTOMUXDUYFCQD-UHFFFAOYSA-N 1 0 497.688 3.048 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305758620 1069217956 /nfs/dbraw/zinc/21/79/56/1069217956.db2.gz KNFFCGUPEUGIKN-FNZWTVRRSA-N 1 0 486.636 3.308 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001305758736 1069218991 /nfs/dbraw/zinc/21/89/91/1069218991.db2.gz MXRQFSKSSWTQBD-SIBVEZHUSA-N 1 0 486.636 3.165 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305760648 1069225757 /nfs/dbraw/zinc/22/57/57/1069225757.db2.gz CETAPIAVBHAEKA-SFHVURJKSA-N 1 0 454.619 3.197 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001305760906 1069226755 /nfs/dbraw/zinc/22/67/55/1069226755.db2.gz FFSBQCLAOSQOSE-KRWDZBQOSA-N 1 0 454.619 3.251 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305762017 1069229591 /nfs/dbraw/zinc/22/95/91/1069229591.db2.gz VNMVXAIYCJXKIL-PXDATVDWSA-N 1 0 454.619 3.116 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@@]1(O)CCSC1 ZINC001305766904 1069238098 /nfs/dbraw/zinc/23/80/98/1069238098.db2.gz AXWKZWBOHUCTOY-FHAGJXEFSA-N 1 0 492.734 3.155 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001305767477 1069239176 /nfs/dbraw/zinc/23/91/76/1069239176.db2.gz FNWBENHIAHBSKK-GOSISDBHSA-N 1 0 472.638 3.146 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305770193 1069246128 /nfs/dbraw/zinc/24/61/28/1069246128.db2.gz URYXZMFGHVCMJD-FPOVZHCZSA-N 1 0 470.666 3.188 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](C)[NH+](C)C ZINC001305770571 1069247077 /nfs/dbraw/zinc/24/70/77/1069247077.db2.gz LXZLAGNDXZSKPD-RDJZCZTQSA-N 1 0 484.571 3.203 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001305772141 1069249878 /nfs/dbraw/zinc/24/98/78/1069249878.db2.gz OVMOEKPYAKITRC-XZOQPEGZSA-N 1 0 468.646 3.476 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305774326 1069255186 /nfs/dbraw/zinc/25/51/86/1069255186.db2.gz FIUCWLUOYGFTNR-MSOLQXFVSA-N 1 0 485.662 3.031 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305774541 1069255569 /nfs/dbraw/zinc/25/55/69/1069255569.db2.gz WGHHYJHNQYESLY-OAQYLSRUSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001305777204 1069262059 /nfs/dbraw/zinc/26/20/59/1069262059.db2.gz WAQXOADGGPCVKX-MHZLTWQESA-N 1 0 494.640 3.410 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccc2c1OCCCO2 ZINC001305777260 1069262648 /nfs/dbraw/zinc/26/26/48/1069262648.db2.gz XPNJPKAFZZQUDV-UHFFFAOYSA-N 1 0 484.645 3.327 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[C@](C)(O)c1ccccc1 ZINC001305777249 1069262803 /nfs/dbraw/zinc/26/28/03/1069262803.db2.gz XGHGUZBONBUQHD-SANMLTNESA-N 1 0 470.662 3.415 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001305778537 1069266133 /nfs/dbraw/zinc/26/61/33/1069266133.db2.gz GDYLQIGHLREYGY-HXUWFJFHSA-N 1 0 455.651 3.252 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001305778891 1069267223 /nfs/dbraw/zinc/26/72/23/1069267223.db2.gz CALBQNHNYLRIHQ-UHFFFAOYSA-N 1 0 489.709 3.156 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001305779251 1069268556 /nfs/dbraw/zinc/26/85/56/1069268556.db2.gz LSQYTWCEYIDNOX-KRWDZBQOSA-N 1 0 487.615 3.001 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1C[C@@H](C)[NH+](CC)CC ZINC001305779552 1069268612 /nfs/dbraw/zinc/26/86/12/1069268612.db2.gz LZOJYQVRVHNLSF-HXUWFJFHSA-N 1 0 489.709 3.298 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305780919 1069272107 /nfs/dbraw/zinc/27/21/07/1069272107.db2.gz OQTKDSJPVKQDIP-JOCHJYFZSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001305781238 1069272577 /nfs/dbraw/zinc/27/25/77/1069272577.db2.gz ZJBURMXVXAJVBS-UHFFFAOYSA-N 1 0 456.635 3.003 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCc1ccc2[nH]ccc2c1 ZINC001305785573 1069286390 /nfs/dbraw/zinc/28/63/90/1069286390.db2.gz HPTPPGVYMCJNQZ-GOSISDBHSA-N 1 0 451.619 3.451 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCCc1cccc(C)n1 ZINC001305785837 1069288274 /nfs/dbraw/zinc/28/82/74/1069288274.db2.gz QQOREAGKSLFRDR-UHFFFAOYSA-N 1 0 453.635 3.207 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccc(F)cc1 ZINC001305786124 1069289191 /nfs/dbraw/zinc/28/91/91/1069289191.db2.gz QQBAMQMOSXHYRU-LJQANCHMSA-N 1 0 486.636 3.268 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1ccc(F)c(COC)c1 ZINC001305786611 1069290798 /nfs/dbraw/zinc/29/07/98/1069290798.db2.gz WBJMJZUURGQEEP-QGZVFWFLSA-N 1 0 460.598 3.061 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001305786824 1069291398 /nfs/dbraw/zinc/29/13/98/1069291398.db2.gz ZRHVRANGQUISGS-UHFFFAOYSA-N 1 0 470.666 3.080 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H]1CCC(F)(F)C1 ZINC001305786924 1069291997 /nfs/dbraw/zinc/29/19/97/1069291997.db2.gz ZGVBCMGECAYKAP-QZTJIDSGSA-N 1 0 482.620 3.321 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CC[C@H]1CCOC1 ZINC001305787292 1069293439 /nfs/dbraw/zinc/29/34/39/1069293439.db2.gz JBLQWJJECSTPBU-NRFANRHFSA-N 1 0 468.646 3.254 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1Cc1cccc(Cl)c1C ZINC001305787424 1069293793 /nfs/dbraw/zinc/29/37/93/1069293793.db2.gz PIECFGPSKTVKHR-QGZVFWFLSA-N 1 0 477.053 3.364 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C/C=C/c1ccccc1 ZINC001305787548 1069293839 /nfs/dbraw/zinc/29/38/39/1069293839.db2.gz KNAHEHOCJUVTIG-NJTIBFSMSA-N 1 0 466.630 3.068 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1Cc1ccc(Cl)cc1 ZINC001305787952 1069294937 /nfs/dbraw/zinc/29/49/37/1069294937.db2.gz SCSGEMMSAHPUAH-KRWDZBQOSA-N 1 0 463.026 3.055 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(F)c3)C2)n1CC1([NH+](C)C)CCC1 ZINC001305790848 1069302511 /nfs/dbraw/zinc/30/25/11/1069302511.db2.gz KUJIHEXJXLSSND-NRFANRHFSA-N 1 0 472.609 3.398 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCC3)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001305791349 1069304173 /nfs/dbraw/zinc/30/41/73/1069304173.db2.gz JSCBQDIUHWPARC-DVECYGJZSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305792349 1069305891 /nfs/dbraw/zinc/30/58/91/1069305891.db2.gz AXNQCZGMUKKPJQ-LEWJYISDSA-N 1 0 472.634 3.488 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305792840 1069306643 /nfs/dbraw/zinc/30/66/43/1069306643.db2.gz CDNXVPMWJZVASD-UXHICEINSA-N 1 0 489.690 3.414 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCC1CC[NH+](CC)CC1 ZINC001305792741 1069306972 /nfs/dbraw/zinc/30/69/72/1069306972.db2.gz VLPJROOSWNHZTH-GOSISDBHSA-N 1 0 474.572 3.086 20 0 JGADRO O=C1CN(C(F)(F)c2cc(-c3ccccc3C(F)(F)F)nnc2Cl)CC2(CC[NH2+]CC2)N1 ZINC001164394080 718810013 /nfs/dbraw/zinc/81/00/13/718810013.db2.gz XGBKNQFNDNWBOJ-UHFFFAOYSA-N 1 0 475.849 3.419 20 0 JGADRO F[C@]1(N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164404769 718863253 /nfs/dbraw/zinc/86/32/53/718863253.db2.gz PMFWDVYWGLJZGG-CECAUBDESA-N 1 0 466.388 3.232 20 0 JGADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)n1 ZINC001164416182 718885534 /nfs/dbraw/zinc/88/55/34/718885534.db2.gz SZCBDQFRPKLVQH-UHFFFAOYSA-N 1 0 460.611 3.110 20 0 JGADRO c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164416076 718885651 /nfs/dbraw/zinc/88/56/51/718885651.db2.gz RLTWVJJZUAGOTI-UHFFFAOYSA-N 1 0 478.670 3.246 20 0 JGADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc1 ZINC001164422835 718915416 /nfs/dbraw/zinc/91/54/16/718915416.db2.gz BNLXDLQZWUVUHB-QFIPXVFZSA-N 1 0 481.927 3.319 20 0 JGADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c2c1C ZINC001164422663 718944814 /nfs/dbraw/zinc/94/48/14/718944814.db2.gz APKSUTHJQRSDJD-PMACEKPBSA-N 1 0 493.633 3.084 20 0 JGADRO c1ccc2c(c1)C[NH2+][C@@H]1CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164423129 718944900 /nfs/dbraw/zinc/94/49/00/718944900.db2.gz FHGGVAHESQPCAN-LEWJYISDSA-N 1 0 461.635 3.478 20 0 JGADRO Cc1cccc(CN2C(=O)COC3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)[C@@H]2C)n1 ZINC001164430754 718951003 /nfs/dbraw/zinc/95/10/03/718951003.db2.gz XRHZDHRRDLLGQH-QFIPXVFZSA-N 1 0 479.625 3.046 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164615216 719010700 /nfs/dbraw/zinc/01/07/00/719010700.db2.gz HORZAQFFRQAQEY-IIBYNOLFSA-N 1 0 454.949 3.313 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccccc2OC)nnc1Cl ZINC001164619255 719019426 /nfs/dbraw/zinc/01/94/26/719019426.db2.gz UWZUWDOFEYTDFO-DQYPLSBCSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccc(OC)cc2)nnc1Cl ZINC001164617480 719020273 /nfs/dbraw/zinc/02/02/73/719020273.db2.gz OIVRHWOVDMLPOZ-KKXDTOCCSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)CC2)CC1 ZINC001164616344 719026329 /nfs/dbraw/zinc/02/63/29/719026329.db2.gz BITXIDOGQHCYEG-UHFFFAOYSA-N 1 0 496.656 3.492 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3ncn4[C@@H]3CCCCO3)CC2)CC1 ZINC001164618493 719026739 /nfs/dbraw/zinc/02/67/39/719026739.db2.gz XLQIPOOGAXXHLF-SFHVURJKSA-N 1 0 477.009 3.423 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)CC2)CC1 ZINC001164618641 719033292 /nfs/dbraw/zinc/03/32/92/719033292.db2.gz XAOVIMJVPDKXJM-UHFFFAOYSA-N 1 0 478.641 3.047 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(=O)OC)c(OC)c4ccccc43)CC2)CC1 ZINC001164616488 719033442 /nfs/dbraw/zinc/03/34/42/719033442.db2.gz DLOZDSXAGIEKJG-UHFFFAOYSA-N 1 0 455.555 3.274 20 0 JGADRO c1cncc(CN(c2ccc3nc(C4CC[NH2+]CC4)nn3c2)c2ccc(CN3CCOCC3)cn2)c1 ZINC001164631676 719138752 /nfs/dbraw/zinc/13/87/52/719138752.db2.gz OCHWPPOSRVODFQ-UHFFFAOYSA-N 1 0 484.608 3.157 20 0 JGADRO CN(C)C(=O)CN1CC[C@]2(C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]2c2ccccc2)C1=O ZINC001164633724 719145627 /nfs/dbraw/zinc/14/56/27/719145627.db2.gz SMHDYTVNVARCGI-NBGIEHNGSA-N 1 0 455.002 3.376 20 0 JGADRO O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C[C@@H]2CCCO[C@H]12 ZINC001164648216 719306268 /nfs/dbraw/zinc/30/62/68/719306268.db2.gz QNNNZHRQIQXOTE-SCWSEQNSSA-N 1 0 466.960 3.263 20 0 JGADRO CC(C)N(c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1)c1ncnc2c1CC[NH2+]CC2 ZINC001164659430 719344907 /nfs/dbraw/zinc/34/49/07/719344907.db2.gz CUGCCMOIMNHTJS-UHFFFAOYSA-N 1 0 485.636 3.064 20 0 JGADRO Fc1ccc(CN2CCOCC23CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)CC3)cc1 ZINC001164679051 719532227 /nfs/dbraw/zinc/53/22/27/719532227.db2.gz QTFVJKVXXXZREW-UHFFFAOYSA-N 1 0 454.590 3.471 20 0 JGADRO Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1NC1CC1 ZINC001164680022 719655010 /nfs/dbraw/zinc/65/50/10/719655010.db2.gz COCZAHCMNZOEAY-FQEVSTJZSA-N 1 0 462.642 3.453 20 0 JGADRO COc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1NC(C)C ZINC001164680244 719655299 /nfs/dbraw/zinc/65/52/99/719655299.db2.gz DKPVFAKCVWRSLJ-FQEVSTJZSA-N 1 0 480.657 3.399 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4nc[nH]c43)CC2)c2ccccc21 ZINC001164680967 719656327 /nfs/dbraw/zinc/65/63/27/719656327.db2.gz KEFZZWUTUZWBDT-MRXNPFEDSA-N 1 0 468.005 3.100 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(CN4CCOCC4)cn3)CC2)c2ccccc21 ZINC001164682666 719658518 /nfs/dbraw/zinc/65/85/18/719658518.db2.gz STNMJZPOEOMSTQ-DEOSSOPVSA-N 1 0 491.680 3.007 20 0 JGADRO COCOc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164680390 719670252 /nfs/dbraw/zinc/67/02/52/719670252.db2.gz DNAOJOQAJCAZBK-FQEVSTJZSA-N 1 0 452.599 3.158 20 0 JGADRO COC(=O)c1nc(Cl)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685567 719670264 /nfs/dbraw/zinc/67/02/64/719670264.db2.gz VKHNWXGOBBHCPN-QGZVFWFLSA-N 1 0 486.016 3.010 20 0 JGADRO CNC(=O)c1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1Cl ZINC001164686892 719672602 /nfs/dbraw/zinc/67/26/02/719672602.db2.gz YVJAWEKGPFKYSG-GOSISDBHSA-N 1 0 484.044 3.188 20 0 JGADRO COC(=O)c1cc(C)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685652 719672692 /nfs/dbraw/zinc/67/26/92/719672692.db2.gz VPLFGFFBIVYHCT-HXUWFJFHSA-N 1 0 464.610 3.270 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3[nH+][n-]c(Cl)c4ncnc3-4)CC2)c2ccccc21 ZINC001164684262 719673324 /nfs/dbraw/zinc/67/33/24/719673324.db2.gz SUNNNYYTDJRUAX-MRXNPFEDSA-N 1 0 468.005 3.100 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(C(N)=O)cc4ccccc43)CC2)c2ccccc21 ZINC001164680069 719678506 /nfs/dbraw/zinc/67/85/06/719678506.db2.gz BFUUCYMAGQSPIZ-NRFANRHFSA-N 1 0 485.632 3.427 20 0 JGADRO COc1ncc(Cl)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164688258 719681518 /nfs/dbraw/zinc/68/15/18/719681518.db2.gz ZBPQNFBHQDDTPY-QGZVFWFLSA-N 1 0 458.006 3.232 20 0 JGADRO O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)N1Cc1cccnc1 ZINC001164690779 719777487 /nfs/dbraw/zinc/77/74/87/719777487.db2.gz IEPYFVVCGPCRNC-WOJBJXKFSA-N 1 0 459.928 3.431 20 0 JGADRO 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ZINC001164719757 720203990 /nfs/dbraw/zinc/20/39/90/720203990.db2.gz TYQPHUBOKNZCMM-NRFANRHFSA-N 1 0 484.004 3.054 20 0 JGADRO Cn1nnc2c1CCN(c1cnc(Cl)nc1Oc1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719689 720204722 /nfs/dbraw/zinc/20/47/22/720204722.db2.gz SJXNVFBTGUVYHB-FQEVSTJZSA-N 1 0 469.977 3.267 20 0 JGADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cnc1Cl ZINC001164812814 720204891 /nfs/dbraw/zinc/20/48/91/720204891.db2.gz MHPXDTUWPUPJGK-YLJYHZDGSA-N 1 0 478.005 3.258 20 0 JGADRO Cn1nnc2c1CCN(c1cnc(Cl)nc1Oc1ccccc1F)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717827 720205243 /nfs/dbraw/zinc/20/52/43/720205243.db2.gz JATGPABGLPKFLH-LJQANCHMSA-N 1 0 487.967 3.406 20 0 JGADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cnc1Cl ZINC001164812809 720205159 /nfs/dbraw/zinc/20/51/59/720205159.db2.gz MHPXDTUWPUPJGK-XLIONFOSSA-N 1 0 478.005 3.258 20 0 JGADRO Cn1nnc2c1CCN(c1c(Cl)ccc3c(Cl)ncnc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716746 720205878 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491.970 3.161 20 0 JGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)CC5)C[C@@H]3C2)cn1 ZINC001164761097 721089150 /nfs/dbraw/zinc/08/91/50/721089150.db2.gz AXGYMSNWCGBRRZ-YADHBBJMSA-N 1 0 478.044 3.380 20 0 JGADRO CN(C)C(=O)c1cc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164865576 721090792 /nfs/dbraw/zinc/09/07/92/721090792.db2.gz NDKRPLAKXWUCSU-PKTZIBPZSA-N 1 0 489.624 3.123 20 0 JGADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864705 721108724 /nfs/dbraw/zinc/10/87/24/721108724.db2.gz GOXWOWRLFRVPMZ-PKOBYXMFSA-N 1 0 456.909 3.331 20 0 JGADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164866357 721111850 /nfs/dbraw/zinc/11/18/50/721111850.db2.gz SOJUNAUDRZQXHO-PKOBYXMFSA-N 1 0 456.909 3.331 20 0 JGADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164876504 721135221 /nfs/dbraw/zinc/13/52/21/721135221.db2.gz MVPRBLJXLBXEKF-OALUTQOASA-N 1 0 467.957 3.335 20 0 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CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5nc(C(C)(C)C)no5)ccn4)C3)O2)CC1 ZINC001164899965 721428990 /nfs/dbraw/zinc/42/89/90/721428990.db2.gz ZQGNJDSLQNZYLT-CPJSRVTESA-N 1 0 454.619 3.195 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c(Cl)nccc54)C3)O2)CC1 ZINC001164893758 721431633 /nfs/dbraw/zinc/43/16/33/721431633.db2.gz KISDQPMATQSXFB-QVKFZJNVSA-N 1 0 451.402 3.097 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(C(=O)N5CCCCC5)cc4Cl)C3)O2)CC1 ZINC001164889548 721437372 /nfs/dbraw/zinc/43/73/72/721437372.db2.gz BNUUFRZIVBWXNV-BWKNWUBXSA-N 1 0 476.065 3.127 20 0 JGADRO Cc1cc(OCc2ccccc2)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164895420 721444917 /nfs/dbraw/zinc/44/49/17/721444917.db2.gz OWGHTEQLNISRQQ-BVAGGSTKSA-N 1 0 451.615 3.129 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cncc(OCc5cccc(Cl)c5)n4)C3)O2)CC1 ZINC001164884949 721447628 /nfs/dbraw/zinc/44/76/28/721447628.db2.gz CZNFYEPKMYBXEK-RDGATRHJSA-N 1 0 472.033 3.474 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1C(=O)OC)CC2 ZINC001164784070 721450038 /nfs/dbraw/zinc/45/00/38/721450038.db2.gz DKIVTGNTVACLNJ-SFHVURJKSA-N 1 0 451.995 3.256 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(Cl)c1C(=O)OC)CC2 ZINC001164789484 721452173 /nfs/dbraw/zinc/45/21/73/721452173.db2.gz WRNKKXUWRQULIL-GOSISDBHSA-N 1 0 451.995 3.256 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(C(=O)OC)c[nH]c3n1)CC2 ZINC001164788722 721455617 /nfs/dbraw/zinc/45/56/17/721455617.db2.gz TUEXUELGQDQOBS-IBGZPJMESA-N 1 0 456.587 3.083 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2 ZINC001164789305 721458919 /nfs/dbraw/zinc/45/89/19/721458919.db2.gz WPKKCIROKCUWLD-QFIPXVFZSA-N 1 0 493.652 3.097 20 0 JGADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)cc1OCC ZINC001164785847 721459496 /nfs/dbraw/zinc/45/94/96/721459496.db2.gz NYCBSZQPVVIALX-OAQYLSRUSA-N 1 0 475.630 3.391 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3ncsc31)CC2 ZINC001164787752 721460258 /nfs/dbraw/zinc/46/02/58/721460258.db2.gz SBIYRMPJSVWACS-MRXNPFEDSA-N 1 0 452.024 3.474 20 0 JGADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c(OC)c1 ZINC001164789262 721462590 /nfs/dbraw/zinc/46/25/90/721462590.db2.gz WDGJIFKBMYVNDM-OAQYLSRUSA-N 1 0 461.603 3.001 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164782834 721463717 /nfs/dbraw/zinc/46/37/17/721463717.db2.gz CUWHIEROIOQPDW-JOCHJYFZSA-N 1 0 458.647 3.344 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(SCC(=O)OC)n1)CC2 ZINC001164782844 721464778 /nfs/dbraw/zinc/46/47/78/721464778.db2.gz CZLRHFMAPVNTRB-FQEVSTJZSA-N 1 0 463.644 3.081 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CC2 ZINC001164786339 721471688 /nfs/dbraw/zinc/47/16/88/721471688.db2.gz AUPGNGWTCKVNRH-SFHVURJKSA-N 1 0 488.023 3.475 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nc(C(=O)OC)nc1Cl)CC2 ZINC001164790676 721473169 /nfs/dbraw/zinc/47/31/69/721473169.db2.gz UNTMGSZDHVFZPG-INIZCTEOSA-N 1 0 487.428 3.304 20 0 JGADRO Clc1nc2c(c(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)n1)CN(Cc1ccccc1)C2 ZINC001164789080 721484068 /nfs/dbraw/zinc/48/40/68/721484068.db2.gz ATJOWCAHALKTCQ-DXIQSLLYSA-N 1 0 478.000 3.198 20 0 JGADRO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164795989 721500198 /nfs/dbraw/zinc/50/01/98/721500198.db2.gz OMMWJTVLEVPPJZ-UHFFFAOYSA-N 1 0 457.644 3.388 20 0 JGADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164795036 721502486 /nfs/dbraw/zinc/50/24/86/721502486.db2.gz BGLHPDYLGAERQQ-UHFFFAOYSA-N 1 0 455.628 3.142 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc4c(Cl)nc(Cl)nc4c2)CC3)CC1 ZINC001164798420 721515279 /nfs/dbraw/zinc/51/52/79/721515279.db2.gz TZEOVNDMWYXLER-UHFFFAOYSA-N 1 0 482.366 3.446 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nnc(Cc4ccccc4)c4ccccc42)CC3)CC1 ZINC001164798522 721518201 /nfs/dbraw/zinc/51/82/01/721518201.db2.gz VHBLXMDKQWJCSN-UHFFFAOYSA-N 1 0 453.594 3.185 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4cccnc4)nc4sc5c(c42)CCC5)CC3)CC1 ZINC001164796759 721518960 /nfs/dbraw/zinc/51/89/60/721518960.db2.gz BPEFRPUUZAUFBO-UHFFFAOYSA-N 1 0 486.649 3.206 20 0 JGADRO CSCc1nc2sc3c(c2c(N2CCn4cc(CN5CC[NH+](C)CC5)nc4C2)n1)CCCC3 ZINC001164797238 721519238 /nfs/dbraw/zinc/51/92/38/721519238.db2.gz ITQAPADOWRRCNZ-UHFFFAOYSA-N 1 0 483.711 3.397 20 0 JGADRO Cc1nc(-c2ccccc2Cl)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1C ZINC001164795827 721520609 /nfs/dbraw/zinc/52/06/09/721520609.db2.gz SSCQPECLHNXTEW-UHFFFAOYSA-N 1 0 452.006 3.378 20 0 JGADRO COc1cccc(-c2nc3ccccc3c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)n2)c1 ZINC001164796169 721520781 /nfs/dbraw/zinc/52/07/81/721520781.db2.gz XEILQFVTPFAJTI-UHFFFAOYSA-N 1 0 469.593 3.270 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccc(N5CCCCC5)cc4)nn2)CC3)CC1 ZINC001164795334 721521633 /nfs/dbraw/zinc/52/16/33/721521633.db2.gz MYUQOFJXECRWAA-UHFFFAOYSA-N 1 0 472.641 3.098 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc(Cl)nc2Oc2ccccc2F)CC3)CC1 ZINC001164795184 721522033 /nfs/dbraw/zinc/52/20/33/721522033.db2.gz LIDLWQWJPOPJEH-UHFFFAOYSA-N 1 0 457.941 3.026 20 0 JGADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CC[N@@H+]3C2)c1 ZINC001164903070 721541746 /nfs/dbraw/zinc/54/17/46/721541746.db2.gz BZTAQFABVHXUOR-FPOVZHCZSA-N 1 0 462.504 3.495 20 0 JGADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905794 721548723 /nfs/dbraw/zinc/54/87/23/721548723.db2.gz IHRWJENKHQSSNX-NQIIRXRSSA-N 1 0 484.553 3.153 20 0 JGADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907172 721555816 /nfs/dbraw/zinc/55/58/16/721555816.db2.gz MJKNWPLWAMZQPD-PZJWPPBQSA-N 1 0 462.591 3.030 20 0 JGADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4c(Cl)nnc(Cl)c4N4CCOCC4)CC[N@@H+]3C2)c1 ZINC001164904299 721568423 /nfs/dbraw/zinc/56/84/23/721568423.db2.gz DUQRAJLORGWJFC-WBVHZDCISA-N 1 0 468.360 3.101 20 0 JGADRO COC(=O)C[C@H](c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1)C1CC1 ZINC001164807299 721574425 /nfs/dbraw/zinc/57/44/25/721574425.db2.gz SOBCNJPEGVTGFZ-HZLPDVBGSA-N 1 0 450.583 3.402 20 0 JGADRO COCCN1C[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]2C1=O ZINC001164901396 721574963 /nfs/dbraw/zinc/57/49/63/721574963.db2.gz FQNBMGFFIDMPMY-NHCUHLMSSA-N 1 0 497.039 3.298 20 0 JGADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001164905123 721581285 /nfs/dbraw/zinc/58/12/85/721581285.db2.gz SIMHLNIAQAVRSZ-QFIPXVFZSA-N 1 0 476.959 3.322 20 0 JGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](COCC(=O)N3CCCC3)C2)nc1 ZINC001164904512 721582158 /nfs/dbraw/zinc/58/21/58/721582158.db2.gz QVJJBVUFBHUAHU-VWNXMTODSA-N 1 0 480.657 3.491 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905728 721584403 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CN(C[C@H]1CCCO1)c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001298789458 1064590994 /nfs/dbraw/zinc/59/09/94/1064590994.db2.gz BWOQKIOWGQEWPM-WOJBJXKFSA-N 1 0 486.617 3.327 20 0 JGADRO CN(C[C@H]1CCCO1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC(C)(F)F ZINC001298791253 1064592039 /nfs/dbraw/zinc/59/20/39/1064592039.db2.gz VRANBAZMKVDNEF-OAQYLSRUSA-N 1 0 462.589 3.303 20 0 JGADRO Cn1cc(Br)cc1-c1nnc(N(CCO)Cc2ccccc2)n1CC[N@H+]1CC=CCC1 ZINC001298798584 1064595845 /nfs/dbraw/zinc/59/58/45/1064595845.db2.gz KOIHWROKMKKAGE-UHFFFAOYSA-N 1 0 485.430 3.307 20 0 JGADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1COCCO1 ZINC001298800529 1064597617 /nfs/dbraw/zinc/59/76/17/1064597617.db2.gz ATENHBWIAKZQHX-GOSISDBHSA-N 1 0 495.466 3.020 20 0 JGADRO Cn1cc(Br)cc1-c1nnc(N2CCCOCC2)n1CC[NH+]1CCCCCC1 ZINC001298801735 1064599560 /nfs/dbraw/zinc/59/95/60/1064599560.db2.gz NXQRUUJMIFLRMM-UHFFFAOYSA-N 1 0 451.413 3.149 20 0 JGADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2)CC1 ZINC001298815677 1064617494 /nfs/dbraw/zinc/61/74/94/1064617494.db2.gz IBKYFDGKBYWSPP-AREMUKBSSA-N 1 0 456.631 3.297 20 0 JGADRO Cn1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001298827174 1064629752 /nfs/dbraw/zinc/62/97/52/1064629752.db2.gz AJNNTKWLFDFOHW-UHFFFAOYSA-N 1 0 464.437 3.471 20 0 JGADRO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N(CCN1CCOCC1)Cc1sccc1Br ZINC001298839871 1064642467 /nfs/dbraw/zinc/64/24/67/1064642467.db2.gz KJLYFPGRFLAOCI-WMZOPIPTSA-N 1 0 456.450 3.188 20 0 JGADRO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N(CCN1CCOCC1)Cc1sccc1Br ZINC001298839870 1064642475 /nfs/dbraw/zinc/64/24/75/1064642475.db2.gz KJLYFPGRFLAOCI-SJLPKXTDSA-N 1 0 456.450 3.188 20 0 JGADRO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)cc1 ZINC001298845307 1064649458 /nfs/dbraw/zinc/64/94/58/1064649458.db2.gz AOLAZVSPOLGCKI-HXUWFJFHSA-N 1 0 458.628 3.239 20 0 JGADRO Cn1cccc1-c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCCCC[NH+]1CCCCC1 ZINC001298852923 1064655713 /nfs/dbraw/zinc/65/57/13/1064655713.db2.gz RVJWXCHEDMEPDP-LJQANCHMSA-N 1 0 495.594 3.445 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298877131 1064681367 /nfs/dbraw/zinc/68/13/67/1064681367.db2.gz BZUBHNTZGQJJIZ-IDISGSTGSA-N 1 0 498.672 3.413 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001298877790 1064683161 /nfs/dbraw/zinc/68/31/61/1064683161.db2.gz IPDWCWUHBNZOFR-JOCHJYFZSA-N 1 0 451.974 3.198 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001298878754 1064684154 /nfs/dbraw/zinc/68/41/54/1064684154.db2.gz LXCNDQCBHXCLGY-ZEQRLZLVSA-N 1 0 479.572 3.255 20 0 JGADRO CN(OC1CCCC1)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298878790 1064684243 /nfs/dbraw/zinc/68/42/43/1064684243.db2.gz MLMNRXIPDSNRIV-FQEVSTJZSA-N 1 0 450.381 3.085 20 0 JGADRO CN(CCOc1cccc(Cl)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298880303 1064685929 /nfs/dbraw/zinc/68/59/29/1064685929.db2.gz UVADJKKFRYBWJW-QFIPXVFZSA-N 1 0 477.396 3.229 20 0 JGADRO CN(c1nnc(CC2CC2)n1C[C@]1(O)CC[N@H+](C)C1)[C@H](CF)c1ccc(Br)cc1 ZINC001298881466 1064687431 /nfs/dbraw/zinc/68/74/31/1064687431.db2.gz FZQLQBXZMGQAKY-NQIIRXRSSA-N 1 0 466.399 3.207 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC001298882268 1064689324 /nfs/dbraw/zinc/68/93/24/1064689324.db2.gz TVYMHPIROAINOS-CVDCTZTESA-N 1 0 492.462 3.274 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001298882270 1064689380 /nfs/dbraw/zinc/68/93/80/1064689380.db2.gz TVYMHPIROAINOS-XXBNENTESA-N 1 0 492.462 3.274 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001298885750 1064691963 /nfs/dbraw/zinc/69/19/63/1064691963.db2.gz BSAJXEHQXHBQIQ-LJQANCHMSA-N 1 0 497.585 3.407 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001298885661 1064692142 /nfs/dbraw/zinc/69/21/42/1064692142.db2.gz APHOIHFUQJWXPJ-KSZLIROESA-N 1 0 486.583 3.145 20 0 JGADRO C[C@H]1[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@@H+]1Cc1ccccc1 ZINC001298885982 1064692739 /nfs/dbraw/zinc/69/27/39/1064692739.db2.gz HQRVTAGCLTWCGG-HOCLYGCPSA-N 1 0 450.402 3.362 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001298886174 1064693024 /nfs/dbraw/zinc/69/30/24/1064693024.db2.gz NOTMSUAMRYZMGD-APWZRJJASA-N 1 0 466.051 3.342 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298886367 1064693891 /nfs/dbraw/zinc/69/38/91/1064693891.db2.gz GCWZHOXUITZVFK-DLBZAZTESA-N 1 0 457.541 3.250 20 0 JGADRO CN(Cc1ccc(F)c(F)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298886735 1064694830 /nfs/dbraw/zinc/69/48/30/1064694830.db2.gz RUKXTFLAUUULHL-WSCWJOSJSA-N 1 0 463.573 3.178 20 0 JGADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001298886773 1064695006 /nfs/dbraw/zinc/69/50/06/1064695006.db2.gz GMZWQIJLNKLZSM-QGZVFWFLSA-N 1 0 473.691 3.121 20 0 JGADRO CN(CCCOCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298888000 1064697400 /nfs/dbraw/zinc/69/74/00/1064697400.db2.gz ZMPWQHQGSVJALG-NOTUOJBMSA-N 1 0 485.673 3.306 20 0 JGADRO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCSC1 ZINC001298889968 1064699424 /nfs/dbraw/zinc/69/94/24/1064699424.db2.gz XNZLWVDWXZEEEA-FUHWJXTLSA-N 1 0 462.689 3.332 20 0 JGADRO C[N@@H+]1CCN(CCn2c(C3CCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1(C)C ZINC001298896092 1064702520 /nfs/dbraw/zinc/70/25/20/1064702520.db2.gz FPGIUMIWWMBYDK-QFIPXVFZSA-N 1 0 472.600 3.101 20 0 JGADRO C[N@@H+]1CCN(CCn2c(N3CCC(O)(Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902560 1064706436 /nfs/dbraw/zinc/70/64/36/1064706436.db2.gz DMJNTYGHEGECHI-UHFFFAOYSA-N 1 0 486.680 3.315 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001298942754 1064734772 /nfs/dbraw/zinc/73/47/72/1064734772.db2.gz VLLFHCXRZQEHIU-FQEVSTJZSA-N 1 0 459.038 3.359 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001298942651 1064734898 /nfs/dbraw/zinc/73/48/98/1064734898.db2.gz GBVQVYPVHCFUDT-HXUWFJFHSA-N 1 0 487.718 3.498 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001298942755 1064734953 /nfs/dbraw/zinc/73/49/53/1064734953.db2.gz VLLFHCXRZQEHIU-HXUWFJFHSA-N 1 0 459.038 3.359 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001298951405 1064742490 /nfs/dbraw/zinc/74/24/90/1064742490.db2.gz WQBCDKABPLOVMF-UHFFFAOYSA-N 1 0 475.037 3.347 20 0 JGADRO O=C([C@@H]1CCCN(CC(F)F)C1)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001298953874 1064744429 /nfs/dbraw/zinc/74/44/29/1064744429.db2.gz UCAJWQYFIWUIME-GOSISDBHSA-N 1 0 454.993 3.430 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+]1CCC[C@@H]1C ZINC001298954452 1064746066 /nfs/dbraw/zinc/74/60/66/1064746066.db2.gz BTMMFONGRYWFNR-GJZGRUSLSA-N 1 0 481.414 3.149 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[NH+]1CCCCCC1 ZINC001298959746 1064748752 /nfs/dbraw/zinc/74/87/52/1064748752.db2.gz WIPCXBVSMMPBEP-NRFANRHFSA-N 1 0 452.647 3.442 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001298965468 1064753556 /nfs/dbraw/zinc/75/35/56/1064753556.db2.gz GLSGREKTQJUYDB-IKGGRYGDSA-N 1 0 495.043 3.444 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001298967014 1064757065 /nfs/dbraw/zinc/75/70/65/1064757065.db2.gz OYKAFAXNIOUASX-QZTJIDSGSA-N 1 0 462.042 3.180 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001298968363 1064758993 /nfs/dbraw/zinc/75/89/93/1064758993.db2.gz YDYJMCGXAVISNM-QZTJIDSGSA-N 1 0 462.042 3.466 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001298972536 1064763148 /nfs/dbraw/zinc/76/31/48/1064763148.db2.gz OYESGGOGBCNECB-RTWAWAEBSA-N 1 0 492.672 3.460 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001298983665 1064769166 /nfs/dbraw/zinc/76/91/66/1064769166.db2.gz LBUOVQWTIBPMAR-NQIIRXRSSA-N 1 0 461.054 3.461 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001298984247 1064769328 /nfs/dbraw/zinc/76/93/28/1064769328.db2.gz LDXYKHMNMZSSFV-VQIMIIECSA-N 1 0 458.994 3.237 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001298984432 1064769754 /nfs/dbraw/zinc/76/97/54/1064769754.db2.gz SECAZJISVYLLHQ-YMPZKCBVSA-N 1 0 468.646 3.136 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001298985741 1064770319 /nfs/dbraw/zinc/77/03/19/1064770319.db2.gz OFYMOYFVJFVOQA-TXTKFYIRSA-N 1 0 484.645 3.264 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccccn2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001298988000 1064771580 /nfs/dbraw/zinc/77/15/80/1064771580.db2.gz CJQVLLHMOWXIAS-DYESRHJHSA-N 1 0 470.021 3.039 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001298992044 1064775211 /nfs/dbraw/zinc/77/52/11/1064775211.db2.gz YUEWHUVSIUUCFE-URXFXBBRSA-N 1 0 475.641 3.228 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCCC1 ZINC001298998541 1064778121 /nfs/dbraw/zinc/77/81/21/1064778121.db2.gz BJNQNJKKBCYRGB-FQEVSTJZSA-N 1 0 470.662 3.459 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001299002760 1064782106 /nfs/dbraw/zinc/78/21/06/1064782106.db2.gz NLDLJZUVSPNYCR-PMACEKPBSA-N 1 0 458.676 3.429 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001299003901 1064784269 /nfs/dbraw/zinc/78/42/69/1064784269.db2.gz BPYZVRVUBKBQJV-RUZDIDTESA-N 1 0 484.645 3.189 20 0 JGADRO 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Cc1ccc(NC(=O)c2nnc(N(C)CCC3CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001492240061 1065337284 /nfs/dbraw/zinc/33/72/84/1065337284.db2.gz CAQVGQUCQWCMRG-UHFFFAOYSA-N 1 0 467.662 3.410 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCOC(C)(C)C)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001492240243 1065337318 /nfs/dbraw/zinc/33/73/18/1065337318.db2.gz FCEZLGUTVUEDTJ-UHFFFAOYSA-N 1 0 486.661 3.245 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCC(F)F)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001492240907 1065340182 /nfs/dbraw/zinc/34/01/82/1065340182.db2.gz RXSYZHKRHJGOFY-UHFFFAOYSA-N 1 0 478.588 3.474 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CCC[N@H+](C)C(C)C ZINC001492587866 1065344479 /nfs/dbraw/zinc/34/44/79/1065344479.db2.gz DIQIZCMDFQSYNT-DEOSSOPVSA-N 1 0 481.689 3.490 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001492248236 1065347181 /nfs/dbraw/zinc/34/71/81/1065347181.db2.gz QOHFSTMDTBYJOJ-NHCUHLMSSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001492248235 1065347342 /nfs/dbraw/zinc/34/73/42/1065347342.db2.gz QOHFSTMDTBYJOJ-LEWJYISDSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC[NH+]2CCCCC2)cc1C ZINC001492253728 1065353804 /nfs/dbraw/zinc/35/38/04/1065353804.db2.gz HFDVILIWQMQUDW-OAQYLSRUSA-N 1 0 481.645 3.115 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001492264090 1065356799 /nfs/dbraw/zinc/35/67/99/1065356799.db2.gz DPJNVACLQHPRBU-FYYLOGMGSA-N 1 0 495.672 3.373 20 0 JGADRO Cc1nnsc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001492266187 1065361052 /nfs/dbraw/zinc/36/10/52/1065361052.db2.gz PIDAVRVXUIBXFO-UHFFFAOYSA-N 1 0 468.631 3.276 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCC2)cc1C ZINC001492266105 1065361083 /nfs/dbraw/zinc/36/10/83/1065361083.db2.gz JRTKPXHYVQMCTC-UHFFFAOYSA-N 1 0 497.644 3.300 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCOC(F)F)cc1C ZINC001492266499 1065362352 /nfs/dbraw/zinc/36/23/52/1065362352.db2.gz NETCZWWIJVBFIR-UHFFFAOYSA-N 1 0 450.534 3.307 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C4CCCCC4)C(=O)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492268067 1065363643 /nfs/dbraw/zinc/36/36/43/1065363643.db2.gz RGTXOGYWRPTHBR-FQEVSTJZSA-N 1 0 481.645 3.079 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCNC(=O)OC(C)(C)C)cc1C ZINC001492273338 1065366083 /nfs/dbraw/zinc/36/60/83/1065366083.db2.gz CRFJVGIWXOUNNC-OAQYLSRUSA-N 1 0 497.644 3.346 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)C)n3CCCC[NH+]3CCOCC3)C2)nc1 ZINC001492275006 1065369619 /nfs/dbraw/zinc/36/96/19/1065369619.db2.gz HAQZGSCYVATXNF-OAQYLSRUSA-N 1 0 469.634 3.072 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001492276762 1065371139 /nfs/dbraw/zinc/37/11/39/1065371139.db2.gz QWDGAPANGFIZRR-COPCDDAFSA-N 1 0 468.646 3.475 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(C(=O)Nc4ccc(C)cn4)CC3)n2C[C@@H](C)[NH+](C)C)o1 ZINC001492280573 1065373322 /nfs/dbraw/zinc/37/33/22/1065373322.db2.gz IDGSQBHGIONAGO-QGZVFWFLSA-N 1 0 451.575 3.355 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@H]4CCOC4)n3CC[NH+](C(C)C)C(C)C)C2)nc1 ZINC001492281229 1065374584 /nfs/dbraw/zinc/37/45/84/1065374584.db2.gz OYFWXRFGXXRUDL-VXKWHMMOSA-N 1 0 483.661 3.459 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001492281934 1065375102 /nfs/dbraw/zinc/37/51/02/1065375102.db2.gz VVEAXQGQOLBCBW-RTWAWAEBSA-N 1 0 483.661 3.318 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001492288049 1065381938 /nfs/dbraw/zinc/38/19/38/1065381938.db2.gz VKVXRSLBTHHRKR-OAQYLSRUSA-N 1 0 476.629 3.486 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cscn3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001492239103 1065384695 /nfs/dbraw/zinc/38/46/95/1065384695.db2.gz YNTHLZUWUWVCTO-UHFFFAOYSA-N 1 0 497.669 3.475 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCCN(c4cccnn4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492315822 1065392254 /nfs/dbraw/zinc/39/22/54/1065392254.db2.gz COCDTAVMDXXQOS-FCHUYYIVSA-N 1 0 478.645 3.319 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001492317576 1065393476 /nfs/dbraw/zinc/39/34/76/1065393476.db2.gz NYNMSLCCVTWUAE-JOCHJYFZSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001492325918 1065398257 /nfs/dbraw/zinc/39/82/57/1065398257.db2.gz UHNUOWAXVGWPON-QHCPKHFHSA-N 1 0 453.616 3.029 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[NH+]2CCCCC2)cc1C ZINC001492338291 1065406020 /nfs/dbraw/zinc/40/60/20/1065406020.db2.gz OVONDYYMAUQBKD-NRFANRHFSA-N 1 0 454.619 3.017 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001492340481 1065411415 /nfs/dbraw/zinc/41/14/15/1065411415.db2.gz SLMJXHQQVVQKTD-QFIPXVFZSA-N 1 0 484.689 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1C ZINC001492359645 1065421457 /nfs/dbraw/zinc/42/14/57/1065421457.db2.gz LLKMOJFVTPAIPG-NRFANRHFSA-N 1 0 489.686 3.266 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001492363468 1065424978 /nfs/dbraw/zinc/42/49/78/1065424978.db2.gz KGLCHEGFDHWUOD-QHCPKHFHSA-N 1 0 498.672 3.065 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492370303 1065431911 /nfs/dbraw/zinc/43/19/11/1065431911.db2.gz HPXOMIZSKUMCBX-RTWAWAEBSA-N 1 0 456.635 3.104 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492370302 1065431936 /nfs/dbraw/zinc/43/19/36/1065431936.db2.gz HPXOMIZSKUMCBX-NHCUHLMSSA-N 1 0 456.635 3.104 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[NH+]2CCCCC2)cc1C ZINC001492370777 1065433599 /nfs/dbraw/zinc/43/35/99/1065433599.db2.gz LOOGGLDMYLCCDV-NRFANRHFSA-N 1 0 454.619 3.052 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001492377891 1065442383 /nfs/dbraw/zinc/44/23/83/1065442383.db2.gz XYOXKEAQIBKIJW-WOVHNISZSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001492383107 1065447023 /nfs/dbraw/zinc/44/70/23/1065447023.db2.gz KZHUOFOHWQNCCD-IBGZPJMESA-N 1 0 466.552 3.334 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCCC[NH+]2CCCC2)cc1 ZINC001492383824 1065449480 /nfs/dbraw/zinc/44/94/80/1065449480.db2.gz BQCFIEHIXXYUNM-OAQYLSRUSA-N 1 0 454.619 3.099 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCOC(C)(C)C)cc1 ZINC001492390797 1065455456 /nfs/dbraw/zinc/45/54/56/1065455456.db2.gz AVNIZAGJZFHOMO-OAQYLSRUSA-N 1 0 457.619 3.139 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC001492390963 1065457141 /nfs/dbraw/zinc/45/71/41/1065457141.db2.gz HZTGEYIIXQUXDL-BGYRXZFFSA-N 1 0 468.646 3.168 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001492345354 1065460366 /nfs/dbraw/zinc/46/03/66/1065460366.db2.gz CVCPXLIQKKWINB-QHCPKHFHSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492347917 1065463605 /nfs/dbraw/zinc/46/36/05/1065463605.db2.gz YUUZNMMGRHJGSQ-LJQANCHMSA-N 1 0 496.578 3.319 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492392755 1065465337 /nfs/dbraw/zinc/46/53/37/1065465337.db2.gz JKZLJYKWKZYWMB-FCHUYYIVSA-N 1 0 471.646 3.324 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(Cc3cccnc3)n2CC[NH+]2CCSCC2)cc1 ZINC001492420813 1065481127 /nfs/dbraw/zinc/48/11/27/1065481127.db2.gz JLOXLEIVQQWYBT-UHFFFAOYSA-N 1 0 452.628 3.136 20 0 JGADRO Cc1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001492427798 1065486217 /nfs/dbraw/zinc/48/62/17/1065486217.db2.gz VKLYQTAQCRIGSO-NRFANRHFSA-N 1 0 454.619 3.175 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1C ZINC001492391512 1065498407 /nfs/dbraw/zinc/49/84/07/1065498407.db2.gz UFSPIRABIGXEPY-JOCHJYFZSA-N 1 0 468.646 3.168 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492456678 1065506928 /nfs/dbraw/zinc/50/69/28/1065506928.db2.gz RSUDCZXKZMSSCG-OHUGHZGNSA-N 1 0 486.686 3.080 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC(N4CCCNC4=O)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492460146 1065508678 /nfs/dbraw/zinc/50/86/78/1065508678.db2.gz PYAJBWLWWIGSMZ-LJQANCHMSA-N 1 0 471.675 3.213 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(=O)NCC(F)F)cc1 ZINC001492460492 1065509357 /nfs/dbraw/zinc/50/93/57/1065509357.db2.gz ZBHIQGQENOUIHW-UHFFFAOYSA-N 1 0 466.602 3.227 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(c4ccnc(C)n4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492465693 1065512651 /nfs/dbraw/zinc/51/26/51/1065512651.db2.gz HOYOAXHYVVEBKW-IBGZPJMESA-N 1 0 466.659 3.254 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001492467670 1065514864 /nfs/dbraw/zinc/51/48/64/1065514864.db2.gz JMVGXQQSHBVBNP-DEOSSOPVSA-N 1 0 456.660 3.135 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001492470524 1065520568 /nfs/dbraw/zinc/52/05/68/1065520568.db2.gz RDVDSNZWOVZCBM-OALUTQOASA-N 1 0 460.648 3.155 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC001492471191 1065521669 /nfs/dbraw/zinc/52/16/69/1065521669.db2.gz JMUOLPPGGSSYLS-JOCHJYFZSA-N 1 0 482.673 3.205 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC001492471192 1065521744 /nfs/dbraw/zinc/52/17/44/1065521744.db2.gz JMUOLPPGGSSYLS-QFIPXVFZSA-N 1 0 482.673 3.205 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1C ZINC001300795356 1065525514 /nfs/dbraw/zinc/52/55/14/1065525514.db2.gz NWUSBZCPYISJQM-OGNFBWPZSA-N 1 0 495.466 3.396 20 0 JGADRO 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1066099361 /nfs/dbraw/zinc/09/93/61/1066099361.db2.gz MJHMGDYBXPCBBY-GHTZIAJQSA-N 1 0 479.572 3.376 20 0 JGADRO COCC1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001301295069 1066100577 /nfs/dbraw/zinc/10/05/77/1066100577.db2.gz QLBNDPBRIZQJLR-UHFFFAOYSA-N 1 0 463.424 3.171 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001301296794 1066101723 /nfs/dbraw/zinc/10/17/23/1066101723.db2.gz BBAMTXQPNJQQKX-MRXNPFEDSA-N 1 0 466.449 3.229 20 0 JGADRO COCC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001301297473 1066103012 /nfs/dbraw/zinc/10/30/12/1066103012.db2.gz OJBUULAIJGFXEM-BWKNWUBXSA-N 1 0 463.667 3.302 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001301298450 1066105204 /nfs/dbraw/zinc/10/52/04/1066105204.db2.gz LJAUOUMKIJYILP-XXBNENTESA-N 1 0 489.686 3.332 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001301298448 1066105265 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1066165078 /nfs/dbraw/zinc/16/50/78/1066165078.db2.gz APQWFFBSQNCLDS-GJPOJAMWSA-N 1 0 487.645 3.082 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCCC2)CCO1 ZINC001301376671 1066170133 /nfs/dbraw/zinc/17/01/33/1066170133.db2.gz VJDPQXUJCOBZNT-KRWDZBQOSA-N 1 0 482.398 3.184 20 0 JGADRO COC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC(C)CC2)C[C@@H](C)O1 ZINC001301386811 1066173801 /nfs/dbraw/zinc/17/38/01/1066173801.db2.gz FOETWCTUEIYHKL-DENIHFKCSA-N 1 0 462.038 3.494 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301387515 1066174257 /nfs/dbraw/zinc/17/42/57/1066174257.db2.gz MLFWZAJLYCGLFD-KNQAVFIVSA-N 1 0 459.610 3.370 20 0 JGADRO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001301387645 1066174524 /nfs/dbraw/zinc/17/45/24/1066174524.db2.gz KVDQVDVAADHDOI-SCPDWHHUSA-N 1 0 457.619 3.280 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H](C)O1 ZINC001301389047 1066174977 /nfs/dbraw/zinc/17/49/77/1066174977.db2.gz YCGMLRAZUAMHGM-NVJIOZQYSA-N 1 0 459.610 3.369 20 0 JGADRO COC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCSCC3)CCCC2)CCO1 ZINC001301392801 1066176319 /nfs/dbraw/zinc/17/63/19/1066176319.db2.gz PEMBRVJIMWHMPA-LJQANCHMSA-N 1 0 451.681 3.080 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001301396323 1066177467 /nfs/dbraw/zinc/17/74/67/1066177467.db2.gz JIUOQRDICBTMJH-FUDKSRODSA-N 1 0 471.646 3.097 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC001301396557 1066177710 /nfs/dbraw/zinc/17/77/10/1066177710.db2.gz LJWIEIXUOPVUEZ-IRLDBZIGSA-N 1 0 471.646 3.240 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC001301396895 1066177848 /nfs/dbraw/zinc/17/78/48/1066177848.db2.gz OFOZUTZGXCFQCC-XPNTWCBSSA-N 1 0 456.635 3.159 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H](C)O1 ZINC001301397817 1066178735 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CC(=O)NCC1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001301891201 1066911275 /nfs/dbraw/zinc/91/12/75/1066911275.db2.gz TXBLRBAHNLQIQF-UHFFFAOYSA-N 1 0 452.647 3.495 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001301891631 1066912281 /nfs/dbraw/zinc/91/22/81/1066912281.db2.gz VYIZIESFSVTAEC-FQEVSTJZSA-N 1 0 456.616 3.179 20 0 JGADRO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001302316080 1066913524 /nfs/dbraw/zinc/91/35/24/1066913524.db2.gz RAZRNISZGLPNIN-OAQYLSRUSA-N 1 0 477.650 3.286 20 0 JGADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ncc(Br)cc3Br)c2)CC1 ZINC001302316818 1066914602 /nfs/dbraw/zinc/91/46/02/1066914602.db2.gz KDWXYGBLXGPDDI-UHFFFAOYSA-N 1 0 455.154 3.006 20 0 JGADRO C[NH+]1CCN(c2ccnc(NC(=O)c3ccc(I)c(Cl)c3)c2)CC1 ZINC001302317576 1066915406 /nfs/dbraw/zinc/91/54/06/1066915406.db2.gz YYBOAPVUOLXWMR-UHFFFAOYSA-N 1 0 456.715 3.344 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001301895895 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LZNVCXQEGKVHQB-VQIMIIECSA-N 1 0 450.678 3.076 20 0 JGADRO CON(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001302359343 1066950227 /nfs/dbraw/zinc/95/02/27/1066950227.db2.gz DPYGAIQSXWNUKJ-OYRHEFFESA-N 1 0 499.660 3.259 20 0 JGADRO COCCN1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301919564 1066950953 /nfs/dbraw/zinc/95/09/53/1066950953.db2.gz IHPZYJVNZOYLKL-NRFANRHFSA-N 1 0 458.626 3.041 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001301920415 1066952960 /nfs/dbraw/zinc/95/29/60/1066952960.db2.gz XXNBFRGJIZGQNJ-GOSISDBHSA-N 1 0 489.546 3.077 20 0 JGADRO CC(C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302362183 1066952918 /nfs/dbraw/zinc/95/29/18/1066952918.db2.gz CTBAJBOFVUHYGT-HNNXBMFYSA-N 1 0 454.402 3.181 20 0 JGADRO CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001302363134 1066953224 /nfs/dbraw/zinc/95/32/24/1066953224.db2.gz BVHKTMOKPBIWOL-UXHICEINSA-N 1 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JGADRO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001302366644 1066956069 /nfs/dbraw/zinc/95/60/69/1066956069.db2.gz FQLMRCRVDNNJRZ-HZPDHXFCSA-N 1 0 484.464 3.351 20 0 JGADRO CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001302367641 1066956840 /nfs/dbraw/zinc/95/68/40/1066956840.db2.gz SETNNPDTNREVRX-QZTJIDSGSA-N 1 0 451.974 3.320 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[C@](C)(O)c2ccccc2)C[C@H]1C ZINC001301923007 1066957244 /nfs/dbraw/zinc/95/72/44/1066957244.db2.gz PCGJZFFWJNUMHJ-NLFFAJNJSA-N 1 0 469.655 3.385 20 0 JGADRO CO[C@@H]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001302368482 1066957240 /nfs/dbraw/zinc/95/72/40/1066957240.db2.gz IPBJVCGRTURAHO-QGZVFWFLSA-N 1 0 495.441 3.098 20 0 JGADRO CC(C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001302370033 1066957999 /nfs/dbraw/zinc/95/79/99/1066957999.db2.gz ADGMIUHEJDCGPV-HHHXNRCGSA-N 1 0 484.689 3.055 20 0 JGADRO CC(C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001302370034 1066958573 /nfs/dbraw/zinc/95/85/73/1066958573.db2.gz ADGMIUHEJDCGPV-MHZLTWQESA-N 1 0 484.689 3.055 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2c(C)nn(C)c2C)C[C@@H]1C ZINC001301927238 1066961432 /nfs/dbraw/zinc/96/14/32/1066961432.db2.gz ABQDKILTOSUADE-FQEVSTJZSA-N 1 0 481.645 3.029 20 0 JGADRO CO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001302376395 1066961796 /nfs/dbraw/zinc/96/17/96/1066961796.db2.gz OOJLPZUGIKJNCH-SLFFLAALSA-N 1 0 462.639 3.102 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@](C)(O)c2ccco2)C[C@H]1C ZINC001301927434 1066961934 /nfs/dbraw/zinc/96/19/34/1066961934.db2.gz GABPWWGTYNXVGV-QFQXNSOFSA-N 1 0 483.613 3.132 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)OC)C[C@H]1C ZINC001301927377 1066962190 /nfs/dbraw/zinc/96/21/90/1066962190.db2.gz DRDSRTNUQWSALX-QGZVFWFLSA-N 1 0 451.999 3.092 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)OC)C[C@@H]1C ZINC001301927774 1066964041 /nfs/dbraw/zinc/96/40/41/1066964041.db2.gz NNXYIJXDKUDIJE-KRWDZBQOSA-N 1 0 496.450 3.202 20 0 JGADRO CO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001302380711 1066964137 /nfs/dbraw/zinc/96/41/37/1066964137.db2.gz OXCGWAMIFWTROW-DBXWQHBBSA-N 1 0 461.582 3.109 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2nc(C)c(C)s2)C[C@@H]1C ZINC001301931128 1066968703 /nfs/dbraw/zinc/96/87/03/1066968703.db2.gz BHNJMKURVQUKLG-KRWDZBQOSA-N 1 0 486.642 3.144 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301932552 1066971319 /nfs/dbraw/zinc/97/13/19/1066971319.db2.gz YOHPCDHQOCBMCQ-UWHLTILDSA-N 1 0 462.683 3.064 20 0 JGADRO CO[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001302391943 1066971485 /nfs/dbraw/zinc/97/14/85/1066971485.db2.gz GHXYCGKLNUTHPZ-SFHVURJKSA-N 1 0 464.408 3.044 20 0 JGADRO COCCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001301932708 1066971515 /nfs/dbraw/zinc/97/15/15/1066971515.db2.gz IXJLTIWNTJBVMR-XPWALMASSA-N 1 0 476.710 3.086 20 0 JGADRO CO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001302392676 1066971881 /nfs/dbraw/zinc/97/18/81/1066971881.db2.gz RDRPTFQKKACZKH-ROUUACIJSA-N 1 0 451.974 3.200 20 0 JGADRO COCCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301933269 1066972072 /nfs/dbraw/zinc/97/20/72/1066972072.db2.gz MQVKYKGRCQAWEN-MOUTVQLLSA-N 1 0 490.737 3.333 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1C ZINC001301933451 1066972617 /nfs/dbraw/zinc/97/26/17/1066972617.db2.gz NEBODIZENVLSMM-PWRODBHTSA-N 1 0 489.686 3.287 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(F)(F)Br)C[C@@H]1C ZINC001301933494 1066972666 /nfs/dbraw/zinc/97/26/66/1066972666.db2.gz OBITZKCESHPSIF-ARFHVFGLSA-N 1 0 494.425 3.341 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CSCCS2)C[C@H]1C ZINC001301933674 1066973056 /nfs/dbraw/zinc/97/30/56/1066973056.db2.gz QLLKSDVUPBBBRD-IYWMVGAKSA-N 1 0 483.748 3.202 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CSCCS2)C[C@@H]1C ZINC001301933675 1066973131 /nfs/dbraw/zinc/97/31/31/1066973131.db2.gz QLLKSDVUPBBBRD-MTQWCTHYSA-N 1 0 483.748 3.202 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2sc(C)nc2C)C[C@@H]1C ZINC001301933971 1066973760 /nfs/dbraw/zinc/97/37/60/1066973760.db2.gz SMMRHCPRDHGBFD-KRWDZBQOSA-N 1 0 486.642 3.144 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)SC)C[C@H]1C ZINC001301933787 1066973834 /nfs/dbraw/zinc/97/38/34/1066973834.db2.gz ROZFOVCCBPBVOA-GUDVDZBRSA-N 1 0 453.697 3.495 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(C)(C)O)C[C@@H]1C ZINC001301934199 1066974361 /nfs/dbraw/zinc/97/43/61/1066974361.db2.gz VWJOUKJMSNFAGK-HNNXBMFYSA-N 1 0 472.417 3.092 20 0 JGADRO CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001302394504 1066974511 /nfs/dbraw/zinc/97/45/11/1066974511.db2.gz RFINNTKULNKVMA-FQEVSTJZSA-N 1 0 456.978 3.207 20 0 JGADRO CC(=O)NCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001301935379 1066976218 /nfs/dbraw/zinc/97/62/18/1066976218.db2.gz MJIGFSMQOSXUKA-UHFFFAOYSA-N 1 0 470.662 3.459 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001302397082 1066976548 /nfs/dbraw/zinc/97/65/48/1066976548.db2.gz GJEXZLVZPKXYSQ-NRFANRHFSA-N 1 0 481.670 3.323 20 0 JGADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001301935867 1066977238 /nfs/dbraw/zinc/97/72/38/1066977238.db2.gz AQCFJCYQWNFJBL-CTNGQTDRSA-N 1 0 486.661 3.336 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001302398622 1066978279 /nfs/dbraw/zinc/97/82/79/1066978279.db2.gz QDGWFZZMLIWOPP-UHFFFAOYSA-N 1 0 467.662 3.223 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001301936557 1066979469 /nfs/dbraw/zinc/97/94/69/1066979469.db2.gz IBEYJZNACCYGRM-RBBKRZOGSA-N 1 0 498.672 3.196 20 0 JGADRO CO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C1 ZINC001302402155 1066982249 /nfs/dbraw/zinc/98/22/49/1066982249.db2.gz YDVKMRABTDLFFY-SFHVURJKSA-N 1 0 452.397 3.185 20 0 JGADRO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCCC2)C1 ZINC001301938512 1066982517 /nfs/dbraw/zinc/98/25/17/1066982517.db2.gz NKDPKDUIFMMHNQ-ICSRJNTNSA-N 1 0 475.037 3.062 20 0 JGADRO CC(C)C(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001302403724 1066984501 /nfs/dbraw/zinc/98/45/01/1066984501.db2.gz NHUYHLDFKDUWHV-UHFFFAOYSA-N 1 0 472.609 3.175 20 0 JGADRO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001302404484 1066985860 /nfs/dbraw/zinc/98/58/60/1066985860.db2.gz QYHVCUGEHVYBQN-OALUTQOASA-N 1 0 460.648 3.189 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001301942367 1066991095 /nfs/dbraw/zinc/99/10/95/1066991095.db2.gz MADMDYHWJKUTEY-NZQKXSOJSA-N 1 0 484.689 3.344 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001302409254 1066992666 /nfs/dbraw/zinc/99/26/66/1066992666.db2.gz MCPAGONWQIZUIU-HYBUGGRVSA-N 1 0 456.660 3.123 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001302409509 1066992840 /nfs/dbraw/zinc/99/28/40/1066992840.db2.gz NTWACAWNNWLYDA-MOPGFXCFSA-N 1 0 460.026 3.075 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001301943140 1066993205 /nfs/dbraw/zinc/99/32/05/1066993205.db2.gz OKKXKWZCRKXAOQ-WOJBJXKFSA-N 1 0 494.750 3.062 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001301943659 1066994147 /nfs/dbraw/zinc/99/41/47/1066994147.db2.gz QMSXSVMSRWHNAD-UXGLMHHASA-N 1 0 476.710 3.355 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001302410546 1066994772 /nfs/dbraw/zinc/99/47/72/1066994772.db2.gz JMRQKFUBJOUPAO-HXUWFJFHSA-N 1 0 453.635 3.346 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001302411463 1066996154 /nfs/dbraw/zinc/99/61/54/1066996154.db2.gz MSNOZXWQYOGZCP-DYXWJJEUSA-N 1 0 458.607 3.157 20 0 JGADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001301944360 1066996278 /nfs/dbraw/zinc/99/62/78/1066996278.db2.gz LKCLQXXYWADTPW-UHFFFAOYSA-N 1 0 474.675 3.134 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001302411895 1066996627 /nfs/dbraw/zinc/99/66/27/1066996627.db2.gz QBTWAIGEPJVAHD-DHIUTWEWSA-N 1 0 461.614 3.384 20 0 JGADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001302412513 1066997408 /nfs/dbraw/zinc/99/74/08/1066997408.db2.gz WOKAZTVFEXMTRV-GOTSBHOMSA-N 1 0 468.646 3.371 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001302416596 1066999262 /nfs/dbraw/zinc/99/92/62/1066999262.db2.gz FSQVPKSYRARVLP-XMMPIXPASA-N 1 0 493.631 3.276 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001302417911 1067001225 /nfs/dbraw/zinc/00/12/25/1067001225.db2.gz BHQLBCJNURSOCK-RTBURBONSA-N 1 0 472.609 3.220 20 0 JGADRO CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1OC ZINC001302418242 1067002112 /nfs/dbraw/zinc/00/21/12/1067002112.db2.gz FLYBFCGBDUVUII-AJSBUHFISA-N 1 0 475.609 3.214 20 0 JGADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001302420000 1067004868 /nfs/dbraw/zinc/00/48/68/1067004868.db2.gz AQGGRHYNYIMGNH-UHFFFAOYSA-N 1 0 453.635 3.346 20 0 JGADRO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1OC ZINC001302425096 1067010120 /nfs/dbraw/zinc/01/01/20/1067010120.db2.gz ARBVLAOAGVJJDW-FCEUIQTBSA-N 1 0 459.660 3.461 20 0 JGADRO CS(=O)(=O)[C@@H]1CCCCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCCCC2)C1 ZINC001302427307 1067012878 /nfs/dbraw/zinc/01/28/78/1067012878.db2.gz GULQXGVHMHRWBK-OAQYLSRUSA-N 1 0 477.650 3.288 20 0 JGADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001303958365 1067013000 /nfs/dbraw/zinc/01/30/00/1067013000.db2.gz CLSRJESJXJHQAC-GOSISDBHSA-N 1 0 457.623 3.499 20 0 JGADRO CC1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001303958820 1067013455 /nfs/dbraw/zinc/01/34/55/1067013455.db2.gz XYUYXHMXQAVGSU-NRFANRHFSA-N 1 0 489.686 3.212 20 0 JGADRO CC1(C)CCC[N@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001303959842 1067014615 /nfs/dbraw/zinc/01/46/15/1067014615.db2.gz OVPSUGJBKISKOS-UHFFFAOYSA-N 1 0 475.659 3.086 20 0 JGADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001303960093 1067014845 /nfs/dbraw/zinc/01/48/45/1067014845.db2.gz QVDIMINFBSUAHS-WOJBJXKFSA-N 1 0 476.666 3.398 20 0 JGADRO CC1(C)CCC[N@H+](CCn2c(CC3CC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001303962515 1067016583 /nfs/dbraw/zinc/01/65/83/1067016583.db2.gz IVTMUJGRHJBGQD-UHFFFAOYSA-N 1 0 460.564 3.375 20 0 JGADRO CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC(F)(F)F)c1 ZINC001302430744 1067017256 /nfs/dbraw/zinc/01/72/56/1067017256.db2.gz YNBPSIVUJHWRDO-INIZCTEOSA-N 1 0 471.549 3.223 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001302431311 1067019159 /nfs/dbraw/zinc/01/91/59/1067019159.db2.gz ITCPVXOSKSNEBU-OALUTQOASA-N 1 0 474.053 3.466 20 0 JGADRO CC(C)C(=O)NC1CCN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCCC2)CC1 ZINC001302431524 1067019573 /nfs/dbraw/zinc/01/95/73/1067019573.db2.gz PBNPVWBTSIOUPZ-UHFFFAOYSA-N 1 0 452.647 3.290 20 0 JGADRO CC(C)C(=O)NC1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001302431455 1067019615 /nfs/dbraw/zinc/01/96/15/1067019615.db2.gz NWKFWVSFOLLALI-UHFFFAOYSA-N 1 0 474.625 3.325 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302432528 1067021956 /nfs/dbraw/zinc/02/19/56/1067021956.db2.gz XAHPZTFJTIWMKF-WMZHIEFXSA-N 1 0 494.619 3.166 20 0 JGADRO CC1(C)CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)CC(C)(C)O1 ZINC001303974995 1067023805 /nfs/dbraw/zinc/02/38/05/1067023805.db2.gz SCMKZAMDUNFNAS-SFHVURJKSA-N 1 0 477.600 3.388 20 0 JGADRO CC1(C)CN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCCC2)CC(C)(C)O1 ZINC001303978687 1067026601 /nfs/dbraw/zinc/02/66/01/1067026601.db2.gz SSDXFZDNCVHLJC-UHFFFAOYSA-N 1 0 460.648 3.149 20 0 JGADRO CC(C)C(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001302434395 1067026709 /nfs/dbraw/zinc/02/67/09/1067026709.db2.gz OXDBYCFAJOZVIF-LJQANCHMSA-N 1 0 489.064 3.450 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 ZINC001303979331 1067027091 /nfs/dbraw/zinc/02/70/91/1067027091.db2.gz GJUGSYGRHOFUPC-UHFFFAOYSA-N 1 0 474.625 3.028 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCCC2)C1 ZINC001302434717 1067027604 /nfs/dbraw/zinc/02/76/04/1067027604.db2.gz QAYWMPHXYIZUSE-FQEVSTJZSA-N 1 0 472.609 3.081 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](C)C)C1 ZINC001302435671 1067030277 /nfs/dbraw/zinc/03/02/77/1067030277.db2.gz VKIBFYOYDYPUCU-WOJBJXKFSA-N 1 0 465.646 3.289 20 0 JGADRO CS(=O)(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCCC[NH+]2CCCC2)C1 ZINC001302441349 1067038465 /nfs/dbraw/zinc/03/84/65/1067038465.db2.gz YXDSZRGTVMIPRR-JOCHJYFZSA-N 1 0 477.650 3.288 20 0 JGADRO CS(=O)(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCC2)CC1 ZINC001302446330 1067044962 /nfs/dbraw/zinc/04/49/62/1067044962.db2.gz QXVQTCTVPRDDAX-UHFFFAOYSA-N 1 0 495.640 3.427 20 0 JGADRO Cc1nnc(N2CCC(NC(=O)c3ccoc3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001304006187 1067048971 /nfs/dbraw/zinc/04/89/71/1067048971.db2.gz ONYYKSCSHJNXEP-JOCHJYFZSA-N 1 0 454.550 3.329 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1C ZINC001304009419 1067051782 /nfs/dbraw/zinc/05/17/82/1067051782.db2.gz CHFLJOBWUGAOAJ-YNRIFVMWSA-N 1 0 495.672 3.431 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC001304010242 1067052014 /nfs/dbraw/zinc/05/20/14/1067052014.db2.gz HTUVCNHUDPDIHW-FYYLOGMGSA-N 1 0 495.672 3.289 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+](C)C(C)C ZINC001302451481 1067052646 /nfs/dbraw/zinc/05/26/46/1067052646.db2.gz HYRKLNIYHFFHJE-UHFFFAOYSA-N 1 0 471.469 3.318 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC001304012094 1067055431 /nfs/dbraw/zinc/05/54/31/1067055431.db2.gz BFWVNMHECSHSIF-YADHBBJMSA-N 1 0 471.646 3.495 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)CCC(F)(F)F)n2C[C@@]2(O)CC[N@H+](C)C2)c1C ZINC001304017236 1067060836 /nfs/dbraw/zinc/06/08/36/1067060836.db2.gz DGAKHOKGZMAEDK-LAUBAEHRSA-N 1 0 455.525 3.490 20 0 JGADRO CC(C)C(=O)NCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001302462541 1067066371 /nfs/dbraw/zinc/06/63/71/1067066371.db2.gz JCJBXHZYHSHFCI-UHFFFAOYSA-N 1 0 477.451 3.400 20 0 JGADRO CC(C)C(=O)NCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001302462810 1067067798 /nfs/dbraw/zinc/06/77/98/1067067798.db2.gz QIHONVDWUYGBOP-GOSISDBHSA-N 1 0 463.026 3.374 20 0 JGADRO CC(C)C(=O)NCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001302462811 1067067855 /nfs/dbraw/zinc/06/78/55/1067067855.db2.gz QIHONVDWUYGBOP-SFHVURJKSA-N 1 0 463.026 3.374 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CCOCC[NH+](C)C)c1C ZINC001304024125 1067069442 /nfs/dbraw/zinc/06/94/42/1067069442.db2.gz QJMSDBNJWOWOMK-JOCHJYFZSA-N 1 0 498.672 3.062 20 0 JGADRO CC(C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001302466227 1067069726 /nfs/dbraw/zinc/06/97/26/1067069726.db2.gz DOBNLFRXYUBVNN-OAQYLSRUSA-N 1 0 453.635 3.205 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+](C)C(C)C)c1C ZINC001304026380 1067073411 /nfs/dbraw/zinc/07/34/11/1067073411.db2.gz RUSWCSHIBLYOBU-SFTDATJTSA-N 1 0 477.675 3.389 20 0 JGADRO CC(C)C(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001302470671 1067074602 /nfs/dbraw/zinc/07/46/02/1067074602.db2.gz PBTUUXSIBQAORN-QHCPKHFHSA-N 1 0 484.645 3.119 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)c1C ZINC001304027750 1067074747 /nfs/dbraw/zinc/07/47/47/1067074747.db2.gz ZRMYECADOVIZKU-RLWLMLJZSA-N 1 0 471.646 3.497 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001304028880 1067076393 /nfs/dbraw/zinc/07/63/93/1067076393.db2.gz ISVZGEWKMDXEQS-RZUBCFFCSA-N 1 0 498.672 3.249 20 0 JGADRO CC1=C(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001304029789 1067077885 /nfs/dbraw/zinc/07/78/85/1067077885.db2.gz YDDPMUHQOPWPEW-WOJBJXKFSA-N 1 0 452.669 3.089 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCN(c4cnn(C)c4)CC3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304030894 1067078776 /nfs/dbraw/zinc/07/87/76/1067078776.db2.gz QZJKSYRNBSEFTI-PZJWPPBQSA-N 1 0 466.634 3.045 20 0 JGADRO CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001304031334 1067079451 /nfs/dbraw/zinc/07/94/51/1067079451.db2.gz FNAMRHDEOPURNT-IBGZPJMESA-N 1 0 452.422 3.382 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001302488560 1067088546 /nfs/dbraw/zinc/08/85/46/1067088546.db2.gz PCTUHGHQAWOXBE-NDEPHWFRSA-N 1 0 496.700 3.394 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302493078 1067092833 /nfs/dbraw/zinc/09/28/33/1067092833.db2.gz QGQVXOGHFZNPPZ-VWLOTQADSA-N 1 0 467.618 3.312 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(C2CCCC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001302495251 1067094052 /nfs/dbraw/zinc/09/40/52/1067094052.db2.gz CZVBWVUUVMNSGP-NRFANRHFSA-N 1 0 461.573 3.434 20 0 JGADRO 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CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001302505024 1067106742 /nfs/dbraw/zinc/10/67/42/1067106742.db2.gz WBOUUCOIGDLFRY-NRFANRHFSA-N 1 0 490.656 3.244 20 0 JGADRO Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001304072262 1067116085 /nfs/dbraw/zinc/11/60/85/1067116085.db2.gz WXRMHFHOYWOVLG-LJQANCHMSA-N 1 0 458.676 3.222 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304073236 1067117322 /nfs/dbraw/zinc/11/73/22/1067117322.db2.gz DQFLCOLSTFSXNX-ROUUACIJSA-N 1 0 459.664 3.283 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001302510585 1067118604 /nfs/dbraw/zinc/11/86/04/1067118604.db2.gz MJYJGBCHCPQWNR-QNWVGRARSA-N 1 0 474.694 3.280 20 0 JGADRO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1C ZINC001304077642 1067122250 /nfs/dbraw/zinc/12/22/50/1067122250.db2.gz GWBPVGRPDVEZJE-WOVHNISZSA-N 1 0 487.693 3.365 20 0 JGADRO 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Cc1cc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCC[N@@H+](C)C(C)C)c2ccccc2n1 ZINC001304194928 1067244568 /nfs/dbraw/zinc/24/45/68/1067244568.db2.gz FKAGFVSZAIPBFF-UHFFFAOYSA-N 1 0 479.629 3.003 20 0 JGADRO CSC1(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)CC[NH+](C)CC1 ZINC001302610865 1067244602 /nfs/dbraw/zinc/24/46/02/1067244602.db2.gz KLZCFMPZLCWWNW-IBGZPJMESA-N 1 0 453.697 3.324 20 0 JGADRO CSC1(Cn2c(C3CCCC3)nnc2N2CCO[C@@H](COC(C)C)C2)CC[NH+](C)CC1 ZINC001302612042 1067245579 /nfs/dbraw/zinc/24/55/79/1067245579.db2.gz KRGOJUKTNWWYRQ-HXUWFJFHSA-N 1 0 451.681 3.393 20 0 JGADRO CSC1(Cn2c([C@@H]3CCCCO3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC[NH+](C)CC1 ZINC001302612883 1067246290 /nfs/dbraw/zinc/24/62/90/1067246290.db2.gz SSLCRCSYBMSRCG-CBNMVNINSA-N 1 0 478.707 3.231 20 0 JGADRO Cc1cccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001304198055 1067247808 /nfs/dbraw/zinc/24/78/08/1067247808.db2.gz KMFXYADIBCJQTP-YLJYHZDGSA-N 1 0 476.672 3.198 20 0 JGADRO Cc1cccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001304198804 1067248650 /nfs/dbraw/zinc/24/86/50/1067248650.db2.gz XDEAAPSQJBSKQZ-NHCUHLMSSA-N 1 0 477.613 3.370 20 0 JGADRO CSC1(Cn2c(Cc3ccccc3C)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC[NH+](C)CC1 ZINC001302616970 1067250380 /nfs/dbraw/zinc/25/03/80/1067250380.db2.gz KCRCKTWYCPMLKV-WOJBJXKFSA-N 1 0 493.743 3.263 20 0 JGADRO CSC1(Cn2c(Cc3ccccc3C)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC[NH+](C)CC1 ZINC001302616964 1067250482 /nfs/dbraw/zinc/25/04/82/1067250482.db2.gz KCRCKTWYCPMLKV-PMACEKPBSA-N 1 0 493.743 3.263 20 0 JGADRO Cc1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)no1 ZINC001304204995 1067251352 /nfs/dbraw/zinc/25/13/52/1067251352.db2.gz KJRGQRAMCZNJQE-YLJYHZDGSA-N 1 0 451.575 3.291 20 0 JGADRO Cc1cccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001304206098 1067252331 /nfs/dbraw/zinc/25/23/31/1067252331.db2.gz RLBFRTBXBCFWHH-QFIPXVFZSA-N 1 0 459.660 3.247 20 0 JGADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCC3(OCCO)CCC(C(F)F)CC3)cc2)CC1 ZINC001304207566 1067252844 /nfs/dbraw/zinc/25/28/44/1067252844.db2.gz LYPFZBOPNUQMFG-UHFFFAOYSA-N 1 0 453.574 3.150 20 0 JGADRO Cc1cc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)no1 ZINC001304209271 1067253288 /nfs/dbraw/zinc/25/32/88/1067253288.db2.gz RWLLDSUMAOPMEJ-KRWDZBQOSA-N 1 0 458.994 3.423 20 0 JGADRO Cc1cc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCOCC2)no1 ZINC001304209272 1067253332 /nfs/dbraw/zinc/25/33/32/1067253332.db2.gz RWLLDSUMAOPMEJ-QGZVFWFLSA-N 1 0 458.994 3.423 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302626954 1067257368 /nfs/dbraw/zinc/25/73/68/1067257368.db2.gz AMGRCLZEGKEAHX-HXUWFJFHSA-N 1 0 477.698 3.121 20 0 JGADRO Cc1cc(Cn2c(C(C)C)nnc2N(C)CCN2CCOC(C)(C)C2)cc(N2CCCC2)[nH+]1 ZINC001304214707 1067257644 /nfs/dbraw/zinc/25/76/44/1067257644.db2.gz CIYUZJVQPCCKEF-UHFFFAOYSA-N 1 0 455.651 3.300 20 0 JGADRO Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](CC(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001304215488 1067258547 /nfs/dbraw/zinc/25/85/47/1067258547.db2.gz WVBREERZJLMXRS-VQTJNVASSA-N 1 0 489.690 3.113 20 0 JGADRO CC(C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302628825 1067259076 /nfs/dbraw/zinc/25/90/76/1067259076.db2.gz JUMWPMOMTMAICW-LEWJYISDSA-N 1 0 478.682 3.332 20 0 JGADRO Cc1ccc(S(=O)(=O)NCC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC001304217704 1067259806 /nfs/dbraw/zinc/25/98/06/1067259806.db2.gz GPXUULKGDPVGRH-AHKZPQOWSA-N 1 0 477.630 3.448 20 0 JGADRO Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)o1 ZINC001304218101 1067259838 /nfs/dbraw/zinc/25/98/38/1067259838.db2.gz JTQGHWYHKMGHIM-UHFFFAOYSA-N 1 0 451.575 3.159 20 0 JGADRO C[NH+](C)C1(C)CCC(NC(=O)c2cnc3ccc(I)cc3c2O)CC1 ZINC001302631711 1067259973 /nfs/dbraw/zinc/25/99/73/1067259973.db2.gz YCVYKDQTTCEWEH-UHFFFAOYSA-N 1 0 453.324 3.125 20 0 JGADRO CSC1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001302632405 1067261104 /nfs/dbraw/zinc/26/11/04/1067261104.db2.gz CRBCKOAQWUTLQH-RTBURBONSA-N 1 0 494.706 3.403 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCOc1ncccc1Cl ZINC001302633880 1067262635 /nfs/dbraw/zinc/26/26/35/1067262635.db2.gz RBBOFGCNGCNHTP-IBGZPJMESA-N 1 0 462.042 3.134 20 0 JGADRO C[C@H](C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001302635157 1067264452 /nfs/dbraw/zinc/26/44/52/1067264452.db2.gz LEYZSIJZDHIQAO-LJQANCHMSA-N 1 0 455.624 3.169 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001302635224 1067264512 /nfs/dbraw/zinc/26/45/12/1067264512.db2.gz QTOBFVNTBVNZSX-VXKWHMMOSA-N 1 0 484.645 3.120 20 0 JGADRO CSC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCNC(=O)C(C)C)CC[NH+](C)CC1 ZINC001302634977 1067264530 /nfs/dbraw/zinc/26/45/30/1067264530.db2.gz RGHKLXZODRYNKG-WOJBJXKFSA-N 1 0 494.750 3.233 20 0 JGADRO CC(C)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302635071 1067264574 /nfs/dbraw/zinc/26/45/74/1067264574.db2.gz OZKRAEHMSOZFAY-UHFFFAOYSA-N 1 0 477.698 3.169 20 0 JGADRO Cc1cc(Cn2c(N3CCN(C(=O)C(C)C)CC3)nnc2C(C)(C)C)cc(N2CCCC2)[nH+]1 ZINC001304227733 1067265933 /nfs/dbraw/zinc/26/59/33/1067265933.db2.gz XZVLXMZCJKMVAW-UHFFFAOYSA-N 1 0 453.635 3.232 20 0 JGADRO Cc1cc(CN2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@H](C)[NH+](C)C)CC2)no1 ZINC001304229498 1067266937 /nfs/dbraw/zinc/26/69/37/1067266937.db2.gz BGIJILRONZRNDI-HKUYNNGSSA-N 1 0 471.581 3.126 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCOC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304232447 1067270058 /nfs/dbraw/zinc/27/00/58/1067270058.db2.gz QYGOBSOHYFZDAS-CJFMBICVSA-N 1 0 492.064 3.181 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC(=O)N(C)C ZINC001304233174 1067271384 /nfs/dbraw/zinc/27/13/84/1067271384.db2.gz RNDWLIVULPIZHQ-NRFANRHFSA-N 1 0 489.064 3.404 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302647384 1067275930 /nfs/dbraw/zinc/27/59/30/1067275930.db2.gz FGZNCWRGMZRUSH-UXHICEINSA-N 1 0 478.682 3.378 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001304249215 1067284331 /nfs/dbraw/zinc/28/43/31/1067284331.db2.gz DWXAMQKQZHBXRF-VXKWHMMOSA-N 1 0 468.646 3.458 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001304249217 1067284473 /nfs/dbraw/zinc/28/44/73/1067284473.db2.gz DWXAMQKQZHBXRF-YADHBBJMSA-N 1 0 468.646 3.458 20 0 JGADRO CSc1ccccc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1 ZINC001302659425 1067286660 /nfs/dbraw/zinc/28/66/60/1067286660.db2.gz RBQDISBXECRWLN-KRWDZBQOSA-N 1 0 492.715 3.121 20 0 JGADRO CSc1ccccc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001302658847 1067286746 /nfs/dbraw/zinc/28/67/46/1067286746.db2.gz DBPNNGRJPKJLDM-NRFANRHFSA-N 1 0 491.459 3.461 20 0 JGADRO CSc1ccccc1CN(C)c1nnc(-c2cnn(C)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302661878 1067289017 /nfs/dbraw/zinc/28/90/17/1067289017.db2.gz ZPEMKBHRGBWWQT-UHFFFAOYSA-N 1 0 469.659 3.272 20 0 JGADRO CC(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001302667421 1067294700 /nfs/dbraw/zinc/29/47/00/1067294700.db2.gz BJKSJPINWFTAPO-LJQANCHMSA-N 1 0 462.664 3.003 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302668349 1067295774 /nfs/dbraw/zinc/29/57/74/1067295774.db2.gz JVTUTEBBEIGXPO-OAQYLSRUSA-N 1 0 477.698 3.169 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001302670748 1067296665 /nfs/dbraw/zinc/29/66/65/1067296665.db2.gz BGNIYMHFKRPCDT-WOJBJXKFSA-N 1 0 460.623 3.222 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302670981 1067296692 /nfs/dbraw/zinc/29/66/92/1067296692.db2.gz JDOFLAWMJVKUMD-HSZRJFAPSA-N 1 0 477.078 3.455 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001302671084 1067297105 /nfs/dbraw/zinc/29/71/05/1067297105.db2.gz LCSBXKYJWWXNEP-UHFFFAOYSA-N 1 0 493.027 3.267 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302673382 1067298901 /nfs/dbraw/zinc/29/89/01/1067298901.db2.gz BYCOSPZYVUQLJM-PMACEKPBSA-N 1 0 464.655 3.084 20 0 JGADRO Cc1ccc(C(=O)NCCn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1F ZINC001304267563 1067300114 /nfs/dbraw/zinc/30/01/14/1067300114.db2.gz TUYYTOVKRYRBCS-UHFFFAOYSA-N 1 0 493.631 3.452 20 0 JGADRO Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1F ZINC001304267458 1067300182 /nfs/dbraw/zinc/30/01/82/1067300182.db2.gz QWBYKRYLSOYQLC-QUCCMNQESA-N 1 0 456.610 3.417 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302674440 1067300359 /nfs/dbraw/zinc/30/03/59/1067300359.db2.gz REUIBYGBSDCNDG-VGOFRKELSA-N 1 0 452.669 3.284 20 0 JGADRO 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CSCCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001302743964 1067353322 /nfs/dbraw/zinc/35/33/22/1067353322.db2.gz IJKJYNDMXGDKFV-NRFANRHFSA-N 1 0 474.650 3.360 20 0 JGADRO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCNC(=O)C(C)C)cc1Br ZINC001304305799 1067354054 /nfs/dbraw/zinc/35/40/54/1067354054.db2.gz AFKWTZJBLBXYOM-IEBWSBKVSA-N 1 0 489.462 3.461 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001304309220 1067356858 /nfs/dbraw/zinc/35/68/58/1067356858.db2.gz DHPBOLZLXDASSE-QFIPXVFZSA-N 1 0 486.661 3.287 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001304314772 1067362503 /nfs/dbraw/zinc/36/25/03/1067362503.db2.gz UUZRDLDGPSOIAL-RTBURBONSA-N 1 0 492.690 3.075 20 0 JGADRO CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001302760413 1067362667 /nfs/dbraw/zinc/36/26/67/1067362667.db2.gz GSAJLVPLMOXGOC-FPOVZHCZSA-N 1 0 451.681 3.173 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)o1 ZINC001304316290 1067364004 /nfs/dbraw/zinc/36/40/04/1067364004.db2.gz KPYQQEAHJIXGRM-UXHICEINSA-N 1 0 488.633 3.187 20 0 JGADRO CSCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302766015 1067365699 /nfs/dbraw/zinc/36/56/99/1067365699.db2.gz BRTJZUBAOXYVKC-HXUWFJFHSA-N 1 0 494.706 3.404 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001304318684 1067366113 /nfs/dbraw/zinc/36/61/13/1067366113.db2.gz ZFDTYAFIFBRNEN-HDICACEKSA-N 1 0 472.634 3.074 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCc2ccc(S(N)(=O)=O)cc2)o1 ZINC001304319436 1067366832 /nfs/dbraw/zinc/36/68/32/1067366832.db2.gz ZNLSYCUUJWCXEO-UHFFFAOYSA-N 1 0 486.642 3.047 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001304319870 1067367102 /nfs/dbraw/zinc/36/71/02/1067367102.db2.gz OQNSYHPRSOUMGG-FUHWJXTLSA-N 1 0 489.462 3.461 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001302769285 1067367804 /nfs/dbraw/zinc/36/78/04/1067367804.db2.gz FUMUBRLWRGUBGP-FQEVSTJZSA-N 1 0 477.053 3.311 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001302771798 1067369293 /nfs/dbraw/zinc/36/92/93/1067369293.db2.gz CVMHLAZYYLOZLQ-SJORKVTESA-N 1 0 498.491 3.477 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001302772122 1067370090 /nfs/dbraw/zinc/37/00/90/1067370090.db2.gz JVWRTJXNDOUAFG-WIYYLYMNSA-N 1 0 466.001 3.446 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001304322968 1067370573 /nfs/dbraw/zinc/37/05/73/1067370573.db2.gz PYJPTWUQQYGFCC-APWZRJJASA-N 1 0 489.462 3.450 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC001304323101 1067370971 /nfs/dbraw/zinc/37/09/71/1067370971.db2.gz GHJLKGSPYDFZMK-SJLPKXTDSA-N 1 0 489.462 3.415 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)n2CCCOC(F)F)o1 ZINC001304323683 1067371551 /nfs/dbraw/zinc/37/15/51/1067371551.db2.gz GYQDXOBRISPWOW-ROUUACIJSA-N 1 0 466.577 3.471 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CC2CC[NH+](CCC(C)C)CC2)o1 ZINC001304325564 1067374764 /nfs/dbraw/zinc/37/47/64/1067374764.db2.gz XFODDJJMVXDFOQ-IBGZPJMESA-N 1 0 492.690 3.075 20 0 JGADRO Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC[NH+]2CCC(C)CC2)cc1Br ZINC001304327559 1067376309 /nfs/dbraw/zinc/37/63/09/1067376309.db2.gz HTHQBOXXEQBGGK-UHFFFAOYSA-N 1 0 480.476 3.317 20 0 JGADRO CSCCCN(C)c1nnc(-c2cccn2C)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001302782862 1067376644 /nfs/dbraw/zinc/37/66/44/1067376644.db2.gz HDPVRADZODYOAU-NRFANRHFSA-N 1 0 454.644 3.088 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC001302789678 1067381066 /nfs/dbraw/zinc/38/10/66/1067381066.db2.gz RQCFDLNMBQUGIP-PKTZIBPZSA-N 1 0 457.619 3.370 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC001304339515 1067384993 /nfs/dbraw/zinc/38/49/93/1067384993.db2.gz ZHIWVPPSSXQNRO-OXJNMPFZSA-N 1 0 494.662 3.337 20 0 JGADRO Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001304341616 1067386005 /nfs/dbraw/zinc/38/60/05/1067386005.db2.gz BBMBKWMOJXAOFE-OAQYLSRUSA-N 1 0 470.643 3.411 20 0 JGADRO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001302798480 1067387356 /nfs/dbraw/zinc/38/73/56/1067387356.db2.gz YDLVFWWNEVAJCB-CUYJMHBOSA-N 1 0 490.737 3.159 20 0 JGADRO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001304345019 1067387615 /nfs/dbraw/zinc/38/76/15/1067387615.db2.gz GZOSCQACTLLCTN-UHFFFAOYSA-N 1 0 461.614 3.269 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC2CC[NH+](CCN(C)C)CC2)s1 ZINC001304346470 1067388809 /nfs/dbraw/zinc/38/88/09/1067388809.db2.gz RACZBSCXWZPYBS-NRFANRHFSA-N 1 0 460.692 3.452 20 0 JGADRO CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001302800407 1067389205 /nfs/dbraw/zinc/38/92/05/1067389205.db2.gz VSLPPOLVANYPSZ-ONTIZHBOSA-N 1 0 460.667 3.239 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC001302804365 1067392580 /nfs/dbraw/zinc/39/25/80/1067392580.db2.gz POIHXBTZWBJCEM-RXVVDRJESA-N 1 0 460.598 3.110 20 0 JGADRO Cc1ccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[NH+](CC(C)C)CC2)c(=O)n1C ZINC001304350989 1067392684 /nfs/dbraw/zinc/39/26/84/1067392684.db2.gz XIUJHMKZHJSTKA-UHFFFAOYSA-N 1 0 455.006 3.432 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C(C)C)C1)[NH+](C)C ZINC001302805459 1067393131 /nfs/dbraw/zinc/39/31/31/1067393131.db2.gz YYOJFONJSNEVJV-RBUKOAKNSA-N 1 0 459.664 3.480 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C)[NH+](C)C ZINC001302805157 1067393292 /nfs/dbraw/zinc/39/32/92/1067393292.db2.gz XQRBBZMCROEEAD-UXHICEINSA-N 1 0 473.641 3.247 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001302807198 1067394648 /nfs/dbraw/zinc/39/46/48/1067394648.db2.gz CXEAOEMQMSSSEL-CMKODMSKSA-N 1 0 460.598 3.200 20 0 JGADRO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807550 1067394825 /nfs/dbraw/zinc/39/48/25/1067394825.db2.gz RIBXRQSODQYCRT-SGNDLWITSA-N 1 0 490.737 3.258 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1)[NH+](C)C ZINC001302808440 1067396467 /nfs/dbraw/zinc/39/64/67/1067396467.db2.gz PWIBHPDVUYXUNM-HSALFYBXSA-N 1 0 472.609 3.345 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001302808400 1067396535 /nfs/dbraw/zinc/39/65/35/1067396535.db2.gz OWGQNGLGMJWZKV-QUCCMNQESA-N 1 0 474.053 3.465 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001302808725 1067396772 /nfs/dbraw/zinc/39/67/72/1067396772.db2.gz RIGVFRXYUIFQLU-NVXWUHKLSA-N 1 0 450.990 3.416 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2OCO[C@H]2C1)[NH+](C)C ZINC001302808863 1067397146 /nfs/dbraw/zinc/39/71/46/1067397146.db2.gz RPTBVLCPRZXZQS-QRVBRYPASA-N 1 0 464.408 3.245 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCc1cnccn1)[NH+](C)C ZINC001302808896 1067397207 /nfs/dbraw/zinc/39/72/07/1067397207.db2.gz RXAUHVAANMVMLR-GOSISDBHSA-N 1 0 475.439 3.481 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001302809625 1067398364 /nfs/dbraw/zinc/39/83/64/1067398364.db2.gz YDXZZDLRPLGQCV-UXHICEINSA-N 1 0 470.643 3.093 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001302813167 1067400384 /nfs/dbraw/zinc/40/03/84/1067400384.db2.gz WCTIWLVJIXOXOU-QFIPXVFZSA-N 1 0 498.672 3.387 20 0 JGADRO CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001302814616 1067401409 /nfs/dbraw/zinc/40/14/09/1067401409.db2.gz XXSQTNOFCCFXSM-NRSPTQNISA-N 1 0 456.660 3.472 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ccccc2)C1)[NH+](C)C ZINC001302815712 1067402891 /nfs/dbraw/zinc/40/28/91/1067402891.db2.gz ABHKJKIYWQGFFQ-FCEUIQTBSA-N 1 0 454.619 3.253 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[NH+](C)C ZINC001302816425 1067403139 /nfs/dbraw/zinc/40/31/39/1067403139.db2.gz HFJMPOSAPSOUDW-MRXNPFEDSA-N 1 0 465.528 3.100 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001302816489 1067403179 /nfs/dbraw/zinc/40/31/79/1067403179.db2.gz IGCGOMQANGPESG-UGKGYDQZSA-N 1 0 495.672 3.420 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001302817418 1067404708 /nfs/dbraw/zinc/40/47/08/1067404708.db2.gz DDIJGHCTCKMCBE-HOKHCIIBSA-N 1 0 456.635 3.015 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)[NH+](C)C ZINC001302817831 1067405124 /nfs/dbraw/zinc/40/51/24/1067405124.db2.gz GLZOBWSSQDYHAK-DHIUTWEWSA-N 1 0 477.661 3.135 20 0 JGADRO CSCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001302817640 1067405126 /nfs/dbraw/zinc/40/51/26/1067405126.db2.gz FYKWIXIHCQBAMF-RTBURBONSA-N 1 0 477.748 3.382 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1)[NH+](C)C ZINC001302818104 1067405825 /nfs/dbraw/zinc/40/58/25/1067405825.db2.gz MWCNEKSFASUQQF-VSKRKVRLSA-N 1 0 460.667 3.239 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1)[NH+](C)C ZINC001302818260 1067406059 /nfs/dbraw/zinc/40/60/59/1067406059.db2.gz ICTJBQKCIKWSJF-DEOSSOPVSA-N 1 0 481.689 3.469 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001302818155 1067406089 /nfs/dbraw/zinc/40/60/89/1067406089.db2.gz HLVCHKRSAODVAM-GHTZIAJQSA-N 1 0 472.634 3.118 20 0 JGADRO C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 ZINC001302819104 1067406561 /nfs/dbraw/zinc/40/65/61/1067406561.db2.gz VXDGCDYRJQUKLY-PZJWPPBQSA-N 1 0 451.336 3.233 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302818652 1067406661 /nfs/dbraw/zinc/40/66/61/1067406661.db2.gz NYGOKOTXNFTZCJ-RTBURBONSA-N 1 0 472.659 3.416 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+](C)C ZINC001302819781 1067407376 /nfs/dbraw/zinc/40/73/76/1067407376.db2.gz NPXHPMDDSDGWOH-OALUTQOASA-N 1 0 488.599 3.043 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+](C)C ZINC001302820112 1067407419 /nfs/dbraw/zinc/40/74/19/1067407419.db2.gz DPCKYOSUBSIWCQ-WZONZLPQSA-N 1 0 463.026 3.189 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)[NH+](C)C ZINC001302820483 1067408413 /nfs/dbraw/zinc/40/84/13/1067408413.db2.gz SHRNPUOUMGPSRX-JOCHJYFZSA-N 1 0 482.677 3.377 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C2(CCC2)C1)[NH+](C)C ZINC001302820568 1067408417 /nfs/dbraw/zinc/40/84/17/1067408417.db2.gz QKPUXCWESQTVOA-SLFFLAALSA-N 1 0 451.681 3.173 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C2(CCC2)C1)[NH+](C)C ZINC001302820567 1067408442 /nfs/dbraw/zinc/40/84/42/1067408442.db2.gz QKPUXCWESQTVOA-HSALFYBXSA-N 1 0 451.681 3.173 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1)[NH+](C)C ZINC001302820866 1067408710 /nfs/dbraw/zinc/40/87/10/1067408710.db2.gz RWBSPKYKZWXSMY-JOCHJYFZSA-N 1 0 470.637 3.433 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)[NH+](C)C ZINC001302821214 1067409727 /nfs/dbraw/zinc/40/97/27/1067409727.db2.gz UGKLVJKAPYEALK-RTBURBONSA-N 1 0 489.615 3.164 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+](C)C ZINC001302821285 1067409756 /nfs/dbraw/zinc/40/97/56/1067409756.db2.gz VGSCZDYZVYQPKZ-JAXLGGSGSA-N 1 0 456.610 3.041 20 0 JGADRO Cc1ccc(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001304370130 1067409774 /nfs/dbraw/zinc/40/97/74/1067409774.db2.gz FVRNPUPICBBMRK-JOCHJYFZSA-N 1 0 492.690 3.196 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001302821496 1067410035 /nfs/dbraw/zinc/41/00/35/1067410035.db2.gz WYZCOSUIJFYWKS-OAQYLSRUSA-N 1 0 471.650 3.297 20 0 JGADRO CC(C)C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1)[NH+](C)C ZINC001302821515 1067410038 /nfs/dbraw/zinc/41/00/38/1067410038.db2.gz ILRKWDVUIWJGAG-VXKWHMMOSA-N 1 0 454.619 3.071 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2[nH]1)[NH+](C)C ZINC001302821603 1067410532 /nfs/dbraw/zinc/41/05/32/1067410532.db2.gz XLNAGNLDKGYFQB-FPOVZHCZSA-N 1 0 472.659 3.274 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)[NH+](C)C ZINC001302821906 1067410567 /nfs/dbraw/zinc/41/05/67/1067410567.db2.gz YQRREZPPURZZJZ-XMMPIXPASA-N 1 0 493.631 3.228 20 0 JGADRO CC(C)C[C@H](Cn1c(N2CC[C@@H]3OCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001302822580 1067411516 /nfs/dbraw/zinc/41/15/16/1067411516.db2.gz NPEADTSLCUJVLF-ILSIFQBBSA-N 1 0 463.667 3.300 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302823785 1067412484 /nfs/dbraw/zinc/41/24/84/1067412484.db2.gz USFLAFDVXOGDAJ-VXKWHMMOSA-N 1 0 486.686 3.271 20 0 JGADRO CC(C)C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001302823827 1067412510 /nfs/dbraw/zinc/41/25/10/1067412510.db2.gz VMGWMLQBJGKVFN-BJKOFHAPSA-N 1 0 465.646 3.351 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001302824506 1067413361 /nfs/dbraw/zinc/41/33/61/1067413361.db2.gz MLLSTGBQEQYULW-MQSCRBSSSA-N 1 0 484.693 3.290 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC2([NH+](C)C)CCC2)cc1C ZINC001304374955 1067414330 /nfs/dbraw/zinc/41/43/30/1067414330.db2.gz HZIRVBSPJMSCLA-UHFFFAOYSA-N 1 0 497.688 3.179 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304375490 1067415712 /nfs/dbraw/zinc/41/57/12/1067415712.db2.gz MWQQZMPDVWPUPO-QETWGEEDSA-N 1 0 472.609 3.178 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@H+](C)C2CCCCC2)cc1C ZINC001304376364 1067416984 /nfs/dbraw/zinc/41/69/84/1067416984.db2.gz XIHXDWHXTVWQMX-OAQYLSRUSA-N 1 0 495.672 3.469 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001302829213 1067418912 /nfs/dbraw/zinc/41/89/12/1067418912.db2.gz MUVKYNOYSQZVQC-PSTIOWGYSA-N 1 0 461.676 3.258 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CCC[NH+]1CCC(O)CC1 ZINC001302830042 1067419445 /nfs/dbraw/zinc/41/94/45/1067419445.db2.gz RVXDHOHYJYRDPP-HXUWFJFHSA-N 1 0 484.645 3.477 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@H](c2cccs2)[NH+](C)C)cc1C ZINC001304377459 1067419877 /nfs/dbraw/zinc/41/98/77/1067419877.db2.gz FXFVVIHGAWUGIP-PKOBYXMFSA-N 1 0 483.642 3.212 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@H](c2cccs2)[NH+](C)C)cc1C ZINC001304377445 1067419884 /nfs/dbraw/zinc/41/98/84/1067419884.db2.gz FXFVVIHGAWUGIP-HKUYNNGSSA-N 1 0 483.642 3.212 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001304378105 1067421771 /nfs/dbraw/zinc/42/17/71/1067421771.db2.gz OTQJAPOZHAHKHX-MHZLTWQESA-N 1 0 497.688 3.036 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(CN4CCCC4=O)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)cc1 ZINC001304379357 1067424470 /nfs/dbraw/zinc/42/44/70/1067424470.db2.gz RPLLKNUCRCJEGG-HSZRJFAPSA-N 1 0 467.662 3.012 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCCN2CCOCC2)cc1C ZINC001304379635 1067425468 /nfs/dbraw/zinc/42/54/68/1067425468.db2.gz KRDAIFXHHUOBMJ-UHFFFAOYSA-N 1 0 497.688 3.226 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304379846 1067425825 /nfs/dbraw/zinc/42/58/25/1067425825.db2.gz VENOLGBKOHFMMR-RTWAWAEBSA-N 1 0 497.688 3.474 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304379876 1067426384 /nfs/dbraw/zinc/42/63/84/1067426384.db2.gz VPPDXYWZODAAER-YYDVJCTNSA-N 1 0 468.646 3.476 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304379875 1067426406 /nfs/dbraw/zinc/42/64/06/1067426406.db2.gz VPPDXYWZODAAER-SELNLUPBSA-N 1 0 468.646 3.476 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCCc4c3cnn4C)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304380135 1067426821 /nfs/dbraw/zinc/42/68/21/1067426821.db2.gz WPOGXEFUIBLYDS-NQIIRXRSSA-N 1 0 464.618 3.345 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001304380336 1067427851 /nfs/dbraw/zinc/42/78/51/1067427851.db2.gz YUWYFVWPRGEKLF-NRFANRHFSA-N 1 0 498.672 3.386 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CO)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001304380608 1067428369 /nfs/dbraw/zinc/42/83/69/1067428369.db2.gz SNIVKZXVQUBNCG-GOSISDBHSA-N 1 0 454.619 3.088 20 0 JGADRO C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCCC2)C[C@@H]1O ZINC001302843157 1067429816 /nfs/dbraw/zinc/42/98/16/1067429816.db2.gz ZZJIIFVSLLNLTQ-AABGKKOBSA-N 1 0 462.639 3.043 20 0 JGADRO C[C@@H]1CCO[C@@H]1Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(F)(F)F ZINC001302844360 1067430307 /nfs/dbraw/zinc/43/03/07/1067430307.db2.gz FLCZFGBONUIBAC-UYAOXDASSA-N 1 0 466.552 3.066 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCC[NH+](C(C)C)C(C)C)cc1C ZINC001304382262 1067430536 /nfs/dbraw/zinc/43/05/36/1067430536.db2.gz FTLMNEKSROUFKH-HSZRJFAPSA-N 1 0 495.672 3.467 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2([S@](C)=O)CC2)cc1C ZINC001304382350 1067431122 /nfs/dbraw/zinc/43/11/22/1067431122.db2.gz CULMADRHROCYAH-UMSFTDKQSA-N 1 0 486.686 3.369 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1C ZINC001304382653 1067431137 /nfs/dbraw/zinc/43/11/37/1067431137.db2.gz FVULHVRMINGUOE-AZUAARDMSA-N 1 0 495.653 3.213 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001304383261 1067432444 /nfs/dbraw/zinc/43/24/44/1067432444.db2.gz JYOOYYALWCHGPF-KNQAVFIVSA-N 1 0 495.672 3.326 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCCOC(C)C)cc1C ZINC001304384361 1067434841 /nfs/dbraw/zinc/43/48/41/1067434841.db2.gz OXEDWPHOPJGLNS-UHFFFAOYSA-N 1 0 484.645 3.263 20 0 JGADRO Cc1nccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001304384776 1067436178 /nfs/dbraw/zinc/43/61/78/1067436178.db2.gz SWRYZQBWGSFXBF-UHFFFAOYSA-N 1 0 464.618 3.273 20 0 JGADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1nn(C)cc1I ZINC001302851709 1067436536 /nfs/dbraw/zinc/43/65/36/1067436536.db2.gz HNYXLTNTYOYLHR-MRXNPFEDSA-N 1 0 452.340 3.151 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1C ZINC001304385649 1067438523 /nfs/dbraw/zinc/43/85/23/1067438523.db2.gz ZYNLLBQDIFWQSI-AIFCEMJISA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304385999 1067439076 /nfs/dbraw/zinc/43/90/76/1067439076.db2.gz CEKSPRUGKCMERN-PZJWPPBQSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304385998 1067439115 /nfs/dbraw/zinc/43/91/15/1067439115.db2.gz CEKSPRUGKCMERN-FPOVZHCZSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3CC[N@H+]3CC=CCC3)C2)nc1 ZINC001304386307 1067440468 /nfs/dbraw/zinc/44/04/68/1067440468.db2.gz DFKNZLSTKGBKNT-NRFANRHFSA-N 1 0 451.619 3.297 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C[C@@H]1F ZINC001302859792 1067442013 /nfs/dbraw/zinc/44/20/13/1067442013.db2.gz QDYNWEZDTCHEFS-AABGKKOBSA-N 1 0 482.645 3.203 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(Cc4ccncc4)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001304387319 1067442593 /nfs/dbraw/zinc/44/25/93/1067442593.db2.gz PPPHYOCLHBMGBZ-QFIPXVFZSA-N 1 0 490.656 3.410 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)C2)nc1 ZINC001304387554 1067443523 /nfs/dbraw/zinc/44/35/23/1067443523.db2.gz RVWOWLLVBGKMCO-YADHBBJMSA-N 1 0 483.661 3.461 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001304387712 1067444145 /nfs/dbraw/zinc/44/41/45/1067444145.db2.gz GDZOEFNMJZBMTD-SJBKTWHCSA-N 1 0 495.672 3.369 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001304387709 1067444159 /nfs/dbraw/zinc/44/41/59/1067444159.db2.gz GDZOEFNMJZBMTD-ONTIZHBOSA-N 1 0 495.672 3.369 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCSCC2)cc1 ZINC001304388161 1067445550 /nfs/dbraw/zinc/44/55/50/1067445550.db2.gz LXDKXGOIRUBXDA-UHFFFAOYSA-N 1 0 465.627 3.081 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(C4CCCC4)n3CCOCC[NH+](C)C)CC2)nc1 ZINC001304388394 1067446029 /nfs/dbraw/zinc/44/60/29/1067446029.db2.gz CDZTZIQTNDQHEJ-UHFFFAOYSA-N 1 0 469.634 3.072 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304388574 1067446561 /nfs/dbraw/zinc/44/65/61/1067446561.db2.gz PQFCOSMTQGDBRR-QFIPXVFZSA-N 1 0 477.613 3.080 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1cccc(Br)n1 ZINC001302865635 1067446665 /nfs/dbraw/zinc/44/66/65/1067446665.db2.gz AHIZBJGJHAORFN-MRXNPFEDSA-N 1 0 477.451 3.471 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001304389427 1067448979 /nfs/dbraw/zinc/44/89/79/1067448979.db2.gz MVHAGHVLSLQGQT-UHFFFAOYSA-N 1 0 468.646 3.241 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001304389782 1067449440 /nfs/dbraw/zinc/44/94/40/1067449440.db2.gz QDQKWCXNAFTYCM-HXUWFJFHSA-N 1 0 464.618 3.006 20 0 JGADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001302871251 1067452251 /nfs/dbraw/zinc/45/22/51/1067452251.db2.gz XNUFEOHSCACSEF-MOPGFXCFSA-N 1 0 457.623 3.499 20 0 JGADRO Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2)cc1 ZINC001304395683 1067457448 /nfs/dbraw/zinc/45/74/48/1067457448.db2.gz BONMGGSMWAUWHN-JOCHJYFZSA-N 1 0 498.672 3.273 20 0 JGADRO Cc1ccc(OC(F)F)c(Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)c1 ZINC001304396406 1067458256 /nfs/dbraw/zinc/45/82/56/1067458256.db2.gz TVXZOYVDWLVHAO-UHFFFAOYSA-N 1 0 487.555 3.240 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001302877603 1067460113 /nfs/dbraw/zinc/46/01/13/1067460113.db2.gz XNRJJHOXTMVFOA-UHFFFAOYSA-N 1 0 468.621 3.410 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302877254 1067460162 /nfs/dbraw/zinc/46/01/62/1067460162.db2.gz VOKGLMMQFVKUET-QGZVFWFLSA-N 1 0 458.573 3.246 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@H](C)O1 ZINC001302879169 1067460962 /nfs/dbraw/zinc/46/09/62/1067460962.db2.gz LBCJEXQGRDJBMD-SOLBZPMBSA-N 1 0 451.974 3.198 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001302880185 1067461502 /nfs/dbraw/zinc/46/15/02/1067461502.db2.gz PSJQPVNXUYAVCT-LADGPHEKSA-N 1 0 462.038 3.147 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302881308 1067463088 /nfs/dbraw/zinc/46/30/88/1067463088.db2.gz BQKQWQANEZHENF-ANSQWYIGSA-N 1 0 487.693 3.048 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)CCN1C(=O)OC(C)(C)C ZINC001302882603 1067464408 /nfs/dbraw/zinc/46/44/08/1067464408.db2.gz KGJSBMXGHNUNDR-MHECFPHRSA-N 1 0 487.674 3.223 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304402924 1067464663 /nfs/dbraw/zinc/46/46/63/1067464663.db2.gz BNMIDRWGPDZLEX-PKTZIBPZSA-N 1 0 457.619 3.138 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304405987 1067469551 /nfs/dbraw/zinc/46/95/51/1067469551.db2.gz FEPGMGJASNMTRZ-AZUAARDMSA-N 1 0 497.562 3.432 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304406282 1067470155 /nfs/dbraw/zinc/47/01/55/1067470155.db2.gz PSZWWXXTOFBOJD-GGAORHGYSA-N 1 0 468.646 3.261 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001304406646 1067470580 /nfs/dbraw/zinc/47/05/80/1067470580.db2.gz UXZDTEQFBBGJBO-WOVHNISZSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCCC[NH+]2CCCC2)cc1 ZINC001304406945 1067471144 /nfs/dbraw/zinc/47/11/44/1067471144.db2.gz XIDRJFXOICNLBF-NRFANRHFSA-N 1 0 454.619 3.099 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001302892086 1067471626 /nfs/dbraw/zinc/47/16/26/1067471626.db2.gz AKUOCIOYOHMUOL-NSHGMRRFSA-N 1 0 455.594 3.226 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](Oc4ccccn4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304410201 1067476201 /nfs/dbraw/zinc/47/62/01/1067476201.db2.gz AEGOJYCAKMMVBH-IRLDBZIGSA-N 1 0 450.587 3.477 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001304410472 1067476483 /nfs/dbraw/zinc/47/64/83/1067476483.db2.gz FQGHTYYKPINYNH-XTJBDQBJSA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001304411389 1067479160 /nfs/dbraw/zinc/47/91/60/1067479160.db2.gz SWFMCVCJULDQRS-JTHBVZDNSA-N 1 0 489.686 3.362 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001304412570 1067481399 /nfs/dbraw/zinc/48/13/99/1067481399.db2.gz MAWBVCHMLUHVIY-OAQYLSRUSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304412781 1067481809 /nfs/dbraw/zinc/48/18/09/1067481809.db2.gz NLJBJIRNIOTEEY-RBBKRZOGSA-N 1 0 468.646 3.296 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001304412623 1067481843 /nfs/dbraw/zinc/48/18/43/1067481843.db2.gz NEDIUWZPRDNNLK-CTNGQTDRSA-N 1 0 466.586 3.153 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001304412970 1067482373 /nfs/dbraw/zinc/48/23/73/1067482373.db2.gz PROVHPVQGDQKFM-HFZDXXHNSA-N 1 0 468.646 3.167 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(Cc2ccc(F)cc2)n1CCN(C)CC(F)(F)F ZINC001302901070 1067484557 /nfs/dbraw/zinc/48/45/57/1067484557.db2.gz FCCIEZNRVJTMID-SFHVURJKSA-N 1 0 498.569 3.192 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H]3c3nncn3C)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001304414797 1067485133 /nfs/dbraw/zinc/48/51/33/1067485133.db2.gz CMSLMXUEHNWWTR-HXUWFJFHSA-N 1 0 452.607 3.223 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001304415332 1067486186 /nfs/dbraw/zinc/48/61/86/1067486186.db2.gz BCLHXLTYAIMSAD-GMAHTHKFSA-N 1 0 489.686 3.362 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001304415330 1067486234 /nfs/dbraw/zinc/48/62/34/1067486234.db2.gz BCLHXLTYAIMSAD-GGAORHGYSA-N 1 0 489.686 3.362 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302902348 1067486568 /nfs/dbraw/zinc/48/65/68/1067486568.db2.gz FFEBEDGQZAIFPW-FQEVSTJZSA-N 1 0 482.673 3.210 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@]2([NH+](C)C)CCSC2)CCN1C(=O)OC(C)(C)C ZINC001302902443 1067487510 /nfs/dbraw/zinc/48/75/10/1067487510.db2.gz JXPGRGUOLWDOSD-YZZKKUAISA-N 1 0 480.679 3.013 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904914 1067489050 /nfs/dbraw/zinc/48/90/50/1067489050.db2.gz DAUFHZCJSHAQSP-RZUBCFFCSA-N 1 0 455.651 3.006 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001304417000 1067489285 /nfs/dbraw/zinc/48/92/85/1067489285.db2.gz RVZVIMHCKPHSMP-KNQAVFIVSA-N 1 0 475.659 3.052 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302908015 1067492418 /nfs/dbraw/zinc/49/24/18/1067492418.db2.gz NTHCOUFYJMXJMU-VWLOTQADSA-N 1 0 473.687 3.380 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302908014 1067492463 /nfs/dbraw/zinc/49/24/63/1067492463.db2.gz NTHCOUFYJMXJMU-RUZDIDTESA-N 1 0 473.687 3.380 20 0 JGADRO Cc1nc([C@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCC[N@@H+](C)C(C)C)CCO2)no1 ZINC001304418521 1067492707 /nfs/dbraw/zinc/49/27/07/1067492707.db2.gz BYXLFMCKRQATPU-OAQYLSRUSA-N 1 0 469.590 3.165 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC(C)(C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001304418765 1067493210 /nfs/dbraw/zinc/49/32/10/1067493210.db2.gz CYXKCBLOSUCLHA-UHFFFAOYSA-N 1 0 457.619 3.016 20 0 JGADRO CC(C)Cc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302908539 1067493501 /nfs/dbraw/zinc/49/35/01/1067493501.db2.gz SFAABPMKDJUHEK-QFIPXVFZSA-N 1 0 474.600 3.260 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001302911488 1067497118 /nfs/dbraw/zinc/49/71/18/1067497118.db2.gz WOCLZZDWKKEFFT-ZYSHUDEJSA-N 1 0 461.010 3.189 20 0 JGADRO O=C(c1ccc(Cn2cc(Br)cn2)s1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001302913488 1067498153 /nfs/dbraw/zinc/49/81/53/1067498153.db2.gz GYYGEUDSYHPSNE-UHFFFAOYSA-N 1 0 453.406 3.129 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001302915390 1067499439 /nfs/dbraw/zinc/49/94/39/1067499439.db2.gz RWEIOQSJGFUMAL-SFHVURJKSA-N 1 0 462.038 3.373 20 0 JGADRO Cc1ccc(OCCCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001304423062 1067499458 /nfs/dbraw/zinc/49/94/58/1067499458.db2.gz PJSKLAMLFGMZPA-UHFFFAOYSA-N 1 0 454.619 3.070 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302915360 1067499457 /nfs/dbraw/zinc/49/94/57/1067499457.db2.gz VKPKKBCTSDQEMP-PMACEKPBSA-N 1 0 475.609 3.237 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[NH+]1CCCC1 ZINC001302917447 1067500218 /nfs/dbraw/zinc/50/02/18/1067500218.db2.gz OAOJBADSDHVIHX-SFHVURJKSA-N 1 0 460.026 3.476 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[NH+]2CCCCC2)cc1 ZINC001304424212 1067501245 /nfs/dbraw/zinc/50/12/45/1067501245.db2.gz DNQNRQHAAQOJJR-LJQANCHMSA-N 1 0 453.509 3.419 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302920322 1067501679 /nfs/dbraw/zinc/50/16/79/1067501679.db2.gz SJJHZUDYGICBRJ-NJYVYQBISA-N 1 0 451.681 3.002 20 0 JGADRO Cc1ccc(OCc2nnc(Nc3cnn(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001304425050 1067502131 /nfs/dbraw/zinc/50/21/31/1067502131.db2.gz HSVSYKLQSIBWKO-WOJBJXKFSA-N 1 0 453.591 3.450 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001302922199 1067502162 /nfs/dbraw/zinc/50/21/62/1067502162.db2.gz BDNGCXKVNPHILD-FYYLOGMGSA-N 1 0 488.702 3.001 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302922805 1067502786 /nfs/dbraw/zinc/50/27/86/1067502786.db2.gz JKSQXSHXSGVAPQ-RTBURBONSA-N 1 0 483.583 3.380 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1C ZINC001304425882 1067503691 /nfs/dbraw/zinc/50/36/91/1067503691.db2.gz VLVQETWWMRXHFL-NIYFSFCBSA-N 1 0 468.646 3.311 20 0 JGADRO FC(F)(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001302924116 1067504221 /nfs/dbraw/zinc/50/42/21/1067504221.db2.gz DYQVOCDWCBLBOI-MRXNPFEDSA-N 1 0 455.351 3.316 20 0 JGADRO FC(F)(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001302926171 1067505081 /nfs/dbraw/zinc/50/50/81/1067505081.db2.gz ZVXOHPMECHECKF-INIZCTEOSA-N 1 0 455.351 3.316 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302928218 1067505705 /nfs/dbraw/zinc/50/57/05/1067505705.db2.gz CUTXLQPVHZBVKX-JOCHJYFZSA-N 1 0 494.750 3.429 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302928271 1067505864 /nfs/dbraw/zinc/50/58/64/1067505864.db2.gz DNUHEENUUZOXNW-RTWAWAEBSA-N 1 0 462.683 3.203 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001304429055 1067506586 /nfs/dbraw/zinc/50/65/86/1067506586.db2.gz OIBXSMKFEJXNJZ-LJQANCHMSA-N 1 0 485.658 3.012 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001302931516 1067506958 /nfs/dbraw/zinc/50/69/58/1067506958.db2.gz DVAZURMDCCSPQE-UHFFFAOYSA-N 1 0 470.662 3.160 20 0 JGADRO FC(F)(F)Cn1c(Cc2ccccn2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001302934318 1067509124 /nfs/dbraw/zinc/50/91/24/1067509124.db2.gz CCTXCSDQVZJGJP-UHFFFAOYSA-N 1 0 452.525 3.155 20 0 JGADRO FC(F)(F)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302935136 1067509310 /nfs/dbraw/zinc/50/93/10/1067509310.db2.gz YNNXVSVHDZTVOE-CQSZACIVSA-N 1 0 474.325 3.428 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001302936690 1067510101 /nfs/dbraw/zinc/51/01/01/1067510101.db2.gz HQMTZTOQHOHDFU-QFIPXVFZSA-N 1 0 488.702 3.110 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304432588 1067511031 /nfs/dbraw/zinc/51/10/31/1067511031.db2.gz ZFWWLBFKKRRKAB-NHCUHLMSSA-N 1 0 459.660 3.461 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001302938025 1067511661 /nfs/dbraw/zinc/51/16/61/1067511661.db2.gz PECRGXGRMXPREJ-XMMPIXPASA-N 1 0 487.737 3.123 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001302938024 1067511763 /nfs/dbraw/zinc/51/17/63/1067511763.db2.gz PECRGXGRMXPREJ-DEOSSOPVSA-N 1 0 487.737 3.123 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CCN3CCOCC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001304433108 1067511943 /nfs/dbraw/zinc/51/19/43/1067511943.db2.gz CQGDEWUUGMSYQD-QFIPXVFZSA-N 1 0 472.703 3.379 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(=O)NCC2CC2)cc1 ZINC001304433351 1067512121 /nfs/dbraw/zinc/51/21/21/1067512121.db2.gz CMEFRJLNUHUPIO-UHFFFAOYSA-N 1 0 456.660 3.372 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302939788 1067513896 /nfs/dbraw/zinc/51/38/96/1067513896.db2.gz KFKFSYOFPFCFAI-UHFFFAOYSA-N 1 0 456.610 3.310 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001302939946 1067513907 /nfs/dbraw/zinc/51/39/07/1067513907.db2.gz QQYYNNFTRAWVHL-HXUWFJFHSA-N 1 0 456.610 3.310 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302940250 1067514682 /nfs/dbraw/zinc/51/46/82/1067514682.db2.gz XPLJOJNAVSYEAM-UHFFFAOYSA-N 1 0 450.587 3.142 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC4CC4)CC3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304436533 1067514889 /nfs/dbraw/zinc/51/48/89/1067514889.db2.gz DJRRIDIMCOJUTN-UHFFFAOYSA-N 1 0 482.576 3.089 20 0 JGADRO FC(F)(F)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001302941054 1067514980 /nfs/dbraw/zinc/51/49/80/1067514980.db2.gz GKJMPLWFGGZEIA-INIZCTEOSA-N 1 0 474.915 3.221 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCS2)CC1 ZINC001302941615 1067515538 /nfs/dbraw/zinc/51/55/38/1067515538.db2.gz PBRIENMXYAGXBA-LJQANCHMSA-N 1 0 484.592 3.251 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001304436860 1067515650 /nfs/dbraw/zinc/51/56/50/1067515650.db2.gz HWFUOEJTXWFRNX-YADARESESA-N 1 0 456.660 3.326 20 0 JGADRO FC(F)(F)SCCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001302943233 1067516380 /nfs/dbraw/zinc/51/63/80/1067516380.db2.gz LJVPZPOZNZKECL-SFHVURJKSA-N 1 0 455.550 3.400 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1c(F)cccc1Cl ZINC001302943987 1067516988 /nfs/dbraw/zinc/51/69/88/1067516988.db2.gz NIFKFWAFALEAAI-UHFFFAOYSA-N 1 0 463.001 3.062 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302945240 1067518126 /nfs/dbraw/zinc/51/81/26/1067518126.db2.gz ZCBVMMXVBXSGIZ-UHFFFAOYSA-N 1 0 488.721 3.331 20 0 JGADRO FC(F)C(F)(F)CN1CCN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001302945944 1067519159 /nfs/dbraw/zinc/51/91/59/1067519159.db2.gz XCYUGBWNHAGUGR-SFHVURJKSA-N 1 0 476.563 3.071 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304439226 1067519762 /nfs/dbraw/zinc/51/97/62/1067519762.db2.gz VHQAVFRSJYVSHF-PZJWPPBQSA-N 1 0 456.660 3.276 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001304441303 1067522216 /nfs/dbraw/zinc/52/22/16/1067522216.db2.gz UMQCTUUTCOOHLZ-UHFFFAOYSA-N 1 0 477.700 3.378 20 0 JGADRO Cc1ccc2oc(N3CCN(c4nnc(C(=O)NC(C)C)n4C[C@H](CC(C)C)[NH+](C)C)CC3)nc2c1 ZINC001304442368 1067523325 /nfs/dbraw/zinc/52/33/25/1067523325.db2.gz CQGHWCFFRVILOF-FQEVSTJZSA-N 1 0 496.660 3.169 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3cccc(O)c3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302949879 1067523423 /nfs/dbraw/zinc/52/34/23/1067523423.db2.gz LCPRQSUVOHYBEW-SFTDATJTSA-N 1 0 470.662 3.397 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001304442619 1067524090 /nfs/dbraw/zinc/52/40/90/1067524090.db2.gz JOEZSAOWKVAGFY-MOPGFXCFSA-N 1 0 460.648 3.013 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)CCCCC1 ZINC001304443775 1067525773 /nfs/dbraw/zinc/52/57/73/1067525773.db2.gz WRNVQHVWESNJRD-SFHVURJKSA-N 1 0 460.648 3.155 20 0 JGADRO Cc1cccc(C)c1NC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001304446566 1067527531 /nfs/dbraw/zinc/52/75/31/1067527531.db2.gz JGJHMWPEAOOAJC-UHFFFAOYSA-N 1 0 461.614 3.486 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001302955684 1067528067 /nfs/dbraw/zinc/52/80/67/1067528067.db2.gz BJKAOLHJRWDRHM-OAQYLSRUSA-N 1 0 490.693 3.425 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)n1CCC[N@H+](C)C(C)C ZINC001302956388 1067528623 /nfs/dbraw/zinc/52/86/23/1067528623.db2.gz GURPJIRMQVSWDQ-XMMPIXPASA-N 1 0 481.689 3.134 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001304447679 1067528919 /nfs/dbraw/zinc/52/89/19/1067528919.db2.gz IAKNJYKMRHOMKF-UHFFFAOYSA-N 1 0 465.646 3.041 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001302958490 1067529805 /nfs/dbraw/zinc/52/98/05/1067529805.db2.gz DJNSEHFDTBLTRJ-RUZDIDTESA-N 1 0 495.716 3.304 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001304449051 1067530640 /nfs/dbraw/zinc/53/06/40/1067530640.db2.gz ZUXCXZNQFZAILX-UHFFFAOYSA-N 1 0 490.656 3.058 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)n1 ZINC001304450366 1067531838 /nfs/dbraw/zinc/53/18/38/1067531838.db2.gz AHOKYRIKDZDRJK-CTNGQTDRSA-N 1 0 482.654 3.401 20 0 JGADRO Cc1cccc(-c2nnc(N(C)C3CC[NH+](CCn4cccn4)CC3)n2CCC(C)(F)F)n1 ZINC001304451306 1067532941 /nfs/dbraw/zinc/53/29/41/1067532941.db2.gz GTSGRWQSKMSTSH-UHFFFAOYSA-N 1 0 458.561 3.491 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001302961987 1067533145 /nfs/dbraw/zinc/53/31/45/1067533145.db2.gz RPLNIDKHIZOBDS-UHFFFAOYSA-N 1 0 454.545 3.176 20 0 JGADRO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302961975 1067533350 /nfs/dbraw/zinc/53/33/50/1067533350.db2.gz RBEPPSLQWQBECA-QHCPKHFHSA-N 1 0 475.081 3.299 20 0 JGADRO Fc1ccc(Cc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001302966569 1067536790 /nfs/dbraw/zinc/53/67/90/1067536790.db2.gz AQNXSOLABVPNTB-UHFFFAOYSA-N 1 0 484.517 3.292 20 0 JGADRO Fc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)c(F)c1 ZINC001302967230 1067537157 /nfs/dbraw/zinc/53/71/57/1067537157.db2.gz LODNSRIMAGBTNO-KRWDZBQOSA-N 1 0 489.489 3.200 20 0 JGADRO Fc1ccc(Cn2c(C3CCC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)nc1 ZINC001302967012 1067537284 /nfs/dbraw/zinc/53/72/84/1067537284.db2.gz GFTMHSXXQSZLAY-UHFFFAOYSA-N 1 0 456.488 3.219 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC3CN(C(=O)OCc4ccccc4)C3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304458706 1067538699 /nfs/dbraw/zinc/53/86/99/1067538699.db2.gz UTZRRXMZPXHURS-HXUWFJFHSA-N 1 0 477.613 3.303 20 0 JGADRO Fc1ccccc1-c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(F)(F)Br ZINC001302971450 1067539450 /nfs/dbraw/zinc/53/94/50/1067539450.db2.gz ZXNGVMJPAQWQMO-CQSZACIVSA-N 1 0 474.325 3.230 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302974530 1067540815 /nfs/dbraw/zinc/54/08/15/1067540815.db2.gz GKYSHCMKBZELLC-JOCHJYFZSA-N 1 0 463.573 3.180 20 0 JGADRO Cc1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC001304462699 1067541008 /nfs/dbraw/zinc/54/10/08/1067541008.db2.gz ARAMFPSPSLIGPZ-SFHVURJKSA-N 1 0 450.509 3.194 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302975475 1067541744 /nfs/dbraw/zinc/54/17/44/1067541744.db2.gz KOYNPGWCNAVLDT-UXHICEINSA-N 1 0 478.682 3.327 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304463777 1067541741 /nfs/dbraw/zinc/54/17/41/1067541741.db2.gz HZYGZWMCEJPLNO-NQIIRXRSSA-N 1 0 499.660 3.109 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001302977925 1067543835 /nfs/dbraw/zinc/54/38/35/1067543835.db2.gz XCSWKKIOEJHSHB-IEBWSBKVSA-N 1 0 457.579 3.457 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304465660 1067543854 /nfs/dbraw/zinc/54/38/54/1067543854.db2.gz OBBPJNATHVNLTA-OALUTQOASA-N 1 0 493.578 3.274 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CCOCCCO)n1 ZINC001304467263 1067545838 /nfs/dbraw/zinc/54/58/38/1067545838.db2.gz JCRGKAIUFGXYPI-UHFFFAOYSA-N 1 0 456.635 3.140 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001304467689 1067546166 /nfs/dbraw/zinc/54/61/66/1067546166.db2.gz QDOCTKQONABOSJ-UHFFFAOYSA-N 1 0 451.402 3.395 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001304468497 1067547178 /nfs/dbraw/zinc/54/71/78/1067547178.db2.gz FVOVKOSUFIQBEY-UHFFFAOYSA-N 1 0 479.604 3.402 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302984902 1067547761 /nfs/dbraw/zinc/54/77/61/1067547761.db2.gz FUXXVMGTAZALRP-AQNXPRMDSA-N 1 0 478.682 3.468 20 0 JGADRO CC(C)Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CC[NH+]1CCCCCC1 ZINC001302984317 1067547800 /nfs/dbraw/zinc/54/78/00/1067547800.db2.gz DEPVOPMQFPJNGL-UHFFFAOYSA-N 1 0 451.681 3.290 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001304469100 1067547831 /nfs/dbraw/zinc/54/78/31/1067547831.db2.gz LIUGCJRAUNXAAQ-SFHVURJKSA-N 1 0 482.551 3.043 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001304469099 1067547934 /nfs/dbraw/zinc/54/79/34/1067547934.db2.gz LIUGCJRAUNXAAQ-GOSISDBHSA-N 1 0 482.551 3.043 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304472287 1067550567 /nfs/dbraw/zinc/55/05/67/1067550567.db2.gz MDHIWSKBUGQWRU-NHCUHLMSSA-N 1 0 455.651 3.366 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001304472302 1067550595 /nfs/dbraw/zinc/55/05/95/1067550595.db2.gz MJOBVCRMFYGSEO-KNQAVFIVSA-N 1 0 453.635 3.251 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC001302991844 1067553235 /nfs/dbraw/zinc/55/32/35/1067553235.db2.gz SMIZOZWYDBDRFG-XUZZJYLKSA-N 1 0 482.673 3.294 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)n1 ZINC001304477839 1067556060 /nfs/dbraw/zinc/55/60/60/1067556060.db2.gz MTZJUFOSDMCIFJ-UHFFFAOYSA-N 1 0 453.635 3.218 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001304478225 1067556709 /nfs/dbraw/zinc/55/67/09/1067556709.db2.gz UIDOMSGACHZBCM-FPOVZHCZSA-N 1 0 499.660 3.062 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001304478359 1067557115 /nfs/dbraw/zinc/55/71/15/1067557115.db2.gz CMGHWDGMPRULHH-SFHVURJKSA-N 1 0 465.568 3.455 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001304478514 1067557275 /nfs/dbraw/zinc/55/72/75/1067557275.db2.gz VTWKQQPLNCETDP-OAQYLSRUSA-N 1 0 467.662 3.464 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001304478511 1067557344 /nfs/dbraw/zinc/55/73/44/1067557344.db2.gz VTWKQQPLNCETDP-NRFANRHFSA-N 1 0 467.662 3.464 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001304478805 1067557628 /nfs/dbraw/zinc/55/76/28/1067557628.db2.gz LWBNIJFRPKWHKB-RBBKRZOGSA-N 1 0 467.662 3.462 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2Cc2cccc(C[NH+](C)C)c2)n1 ZINC001304478658 1067557701 /nfs/dbraw/zinc/55/77/01/1067557701.db2.gz FAAPUKUXYJRTJJ-UHFFFAOYSA-N 1 0 475.641 3.453 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)Cc4ccccc4F)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304478777 1067557775 /nfs/dbraw/zinc/55/77/75/1067557775.db2.gz ZPEKYSMCXKEMJF-UHFFFAOYSA-N 1 0 479.604 3.019 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001304479413 1067558600 /nfs/dbraw/zinc/55/86/00/1067558600.db2.gz XKUKZLXCWZACBN-JOCHJYFZSA-N 1 0 453.635 3.074 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@@H](c4noc(C(C)C)n4)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304481893 1067561345 /nfs/dbraw/zinc/56/13/45/1067561345.db2.gz HVSDBDQNDQVRQM-HXUWFJFHSA-N 1 0 468.606 3.463 20 0 JGADRO Cc1cccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)c1 ZINC001304482812 1067562442 /nfs/dbraw/zinc/56/24/42/1067562442.db2.gz LWVSUKCVDYOKFR-ICSRJNTNSA-N 1 0 460.648 3.023 20 0 JGADRO Cc1cccc([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001304487304 1067566077 /nfs/dbraw/zinc/56/60/77/1067566077.db2.gz LLXINFGDBCPSOG-DNVJHFABSA-N 1 0 473.687 3.459 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304487756 1067566368 /nfs/dbraw/zinc/56/63/68/1067566368.db2.gz WZXLFQFNOQLVJD-SQJMNOBHSA-N 1 0 466.634 3.110 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001303018252 1067571474 /nfs/dbraw/zinc/57/14/74/1067571474.db2.gz ZBLRQLPBWJQXTJ-XMMPIXPASA-N 1 0 461.676 3.419 20 0 JGADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4cccn4C)n3CCCNC(=O)C(C)C)CC2)c1 ZINC001304496067 1067572114 /nfs/dbraw/zinc/57/21/14/1067572114.db2.gz OMYFPRUGTBPVPT-UHFFFAOYSA-N 1 0 463.630 3.077 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(N2CC[NH+](C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303020721 1067572683 /nfs/dbraw/zinc/57/26/83/1067572683.db2.gz FXRNVBZCOSDWPQ-DNQXCXABSA-N 1 0 451.656 3.036 20 0 JGADRO Cc1cccc(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@@H+]3CCCO)CC2)c1C ZINC001304497298 1067573213 /nfs/dbraw/zinc/57/32/13/1067573213.db2.gz NJAJISDIGGIGNY-QHCPKHFHSA-N 1 0 454.663 3.267 20 0 JGADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4cnccn4)n3CCCOCC(F)F)CC2)c1 ZINC001304497988 1067573466 /nfs/dbraw/zinc/57/34/66/1067573466.db2.gz KIIHVXBMHHYTRN-UHFFFAOYSA-N 1 0 457.529 3.038 20 0 JGADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CCN(C)CC(F)(F)F)CC2)c1 ZINC001304499012 1067574204 /nfs/dbraw/zinc/57/42/04/1067574204.db2.gz RYPISHOHMXGDTK-UHFFFAOYSA-N 1 0 461.536 3.398 20 0 JGADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3CCCCCS(C)(=O)=O)CC2)c1 ZINC001304499254 1067574261 /nfs/dbraw/zinc/57/42/61/1067574261.db2.gz VNKTVMDRPADLBI-HSZRJFAPSA-N 1 0 489.686 3.365 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303023346 1067575899 /nfs/dbraw/zinc/57/58/99/1067575899.db2.gz WCAJNPSIGVEPDG-NBMBROAQSA-N 1 0 463.667 3.179 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)Cc3nc4ccsc4c(=O)[nH]3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304502012 1067576278 /nfs/dbraw/zinc/57/62/78/1067576278.db2.gz JYQCLUNECAJCHJ-MRXNPFEDSA-N 1 0 467.599 3.462 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001304502230 1067576400 /nfs/dbraw/zinc/57/64/00/1067576400.db2.gz NINARUYXQMHFAC-HSZRJFAPSA-N 1 0 457.619 3.018 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CCC[NH+]2CCCC2)c1 ZINC001304504125 1067578540 /nfs/dbraw/zinc/57/85/40/1067578540.db2.gz RQPYEKYFWLVETD-IBGZPJMESA-N 1 0 494.562 3.156 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001304504595 1067578874 /nfs/dbraw/zinc/57/88/74/1067578874.db2.gz RYPIMIOZYMSRTQ-FQEVSTJZSA-N 1 0 477.675 3.157 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304506770 1067580252 /nfs/dbraw/zinc/58/02/52/1067580252.db2.gz NANLUBDYRSXWLD-UHFFFAOYSA-N 1 0 456.635 3.200 20 0 JGADRO CC(C)CCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001303041062 1067585939 /nfs/dbraw/zinc/58/59/39/1067585939.db2.gz NJBCWXNETZNQSV-OAQYLSRUSA-N 1 0 472.609 3.175 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2C[C@@](C)(O)C(C)C)c1 ZINC001304511485 1067587316 /nfs/dbraw/zinc/58/73/16/1067587316.db2.gz CSZQYDTVVPDZHD-QFQXNSOFSA-N 1 0 471.646 3.262 20 0 JGADRO NC(=O)CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001303045815 1067588752 /nfs/dbraw/zinc/58/87/52/1067588752.db2.gz MTIPMWJUNDTWJS-UHFFFAOYSA-N 1 0 493.077 3.041 20 0 JGADRO NC(=O)CCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001303045864 1067588971 /nfs/dbraw/zinc/58/89/71/1067588971.db2.gz NNDFVQRTIYLKSW-UHFFFAOYSA-N 1 0 459.038 3.490 20 0 JGADRO O=C(CCCCc1ccc(Br)cc1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303049509 1067590374 /nfs/dbraw/zinc/59/03/74/1067590374.db2.gz FSSSYTCHLYXAJT-OAQYLSRUSA-N 1 0 452.437 3.075 20 0 JGADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1NCc1ccccc1Cl ZINC001303049512 1067590509 /nfs/dbraw/zinc/59/05/09/1067590509.db2.gz FUPZYTVBKLKCHH-NRFANRHFSA-N 1 0 457.018 3.479 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001304513812 1067591031 /nfs/dbraw/zinc/59/10/31/1067591031.db2.gz DQXALFCQLJYAFX-SFTDATJTSA-N 1 0 459.660 3.344 20 0 JGADRO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001304516550 1067592513 /nfs/dbraw/zinc/59/25/13/1067592513.db2.gz ZVDAEOGHOCAGBT-BDTNDASRSA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001304519409 1067594958 /nfs/dbraw/zinc/59/49/58/1067594958.db2.gz IIPLMDOHGUWVEX-RTWAWAEBSA-N 1 0 456.635 3.279 20 0 JGADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCOCC[NH+](C)C)CC1 ZINC001304520497 1067595940 /nfs/dbraw/zinc/59/59/40/1067595940.db2.gz QXZCKHDEMOIRSV-UHFFFAOYSA-N 1 0 470.662 3.152 20 0 JGADRO O=C(C1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303060486 1067596273 /nfs/dbraw/zinc/59/62/73/1067596273.db2.gz AVOVCTHWHXZQCD-UHFFFAOYSA-N 1 0 450.509 3.098 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001304525185 1067598725 /nfs/dbraw/zinc/59/87/25/1067598725.db2.gz BMMZWVJKXPUDAR-HXUWFJFHSA-N 1 0 488.683 3.138 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304525992 1067598881 /nfs/dbraw/zinc/59/88/81/1067598881.db2.gz NNSAZBWXAYAXNV-HSZRJFAPSA-N 1 0 454.663 3.390 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304525993 1067598976 /nfs/dbraw/zinc/59/89/76/1067598976.db2.gz NNSAZBWXAYAXNV-QHCPKHFHSA-N 1 0 454.663 3.390 20 0 JGADRO Cc1ccccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001304526445 1067599424 /nfs/dbraw/zinc/59/94/24/1067599424.db2.gz PTRPNZUWQGFOSD-HXUWFJFHSA-N 1 0 459.660 3.387 20 0 JGADRO O=C(Cn1c(-c2ccccc2)nnc1N1CC[NH+](CC2CCCCC2)CC1)NCC(F)(F)F ZINC001303070166 1067605016 /nfs/dbraw/zinc/60/50/16/1067605016.db2.gz LNIGYSYDVJDVNC-UHFFFAOYSA-N 1 0 464.536 3.326 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304534643 1067605159 /nfs/dbraw/zinc/60/51/59/1067605159.db2.gz HWMLZTHRRYJXPL-JOCHJYFZSA-N 1 0 488.702 3.093 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001304538195 1067609735 /nfs/dbraw/zinc/60/97/35/1067609735.db2.gz FUDQXEBKIWDAHB-IFMALSPDSA-N 1 0 484.645 3.324 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001304538962 1067610441 /nfs/dbraw/zinc/61/04/41/1067610441.db2.gz IZRAVVWDBZDDOU-HXUWFJFHSA-N 1 0 472.634 3.324 20 0 JGADRO CC(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001303080221 1067614067 /nfs/dbraw/zinc/61/40/67/1067614067.db2.gz JCJCIWBCBMVIJC-DEOSSOPVSA-N 1 0 454.663 3.472 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1CCC[NH+]1CCC(O)CC1 ZINC001304546337 1067615736 /nfs/dbraw/zinc/61/57/36/1067615736.db2.gz BGCFVZAKOJJCEM-UHFFFAOYSA-N 1 0 472.037 3.047 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001304546635 1067615746 /nfs/dbraw/zinc/61/57/46/1067615746.db2.gz BDVXKNXUPGBUNY-NRFANRHFSA-N 1 0 461.676 3.169 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCCS(C)(=O)=O)n1CC1([NH+](C)C)CCCCC1 ZINC001304548876 1067617643 /nfs/dbraw/zinc/61/76/43/1067617643.db2.gz WISAEZFIWXHPKB-UHFFFAOYSA-N 1 0 461.676 3.313 20 0 JGADRO O=C(NCC(F)(F)F)C1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303083097 1067617812 /nfs/dbraw/zinc/61/78/12/1067617812.db2.gz ZKHARNOBHCXNMT-UHFFFAOYSA-N 1 0 462.520 3.102 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001304550394 1067619705 /nfs/dbraw/zinc/61/97/05/1067619705.db2.gz IWBUTTOYOJLVER-NVQXNPDNSA-N 1 0 452.647 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001304550540 1067620058 /nfs/dbraw/zinc/62/00/58/1067620058.db2.gz XTMUOCBKZVLYPB-UYAOXDASSA-N 1 0 452.628 3.209 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303089730 1067625900 /nfs/dbraw/zinc/62/59/00/1067625900.db2.gz GWRNBHQCLUELLY-AOHZBQACSA-N 1 0 476.710 3.086 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001303089960 1067626209 /nfs/dbraw/zinc/62/62/09/1067626209.db2.gz KRGIARBFRHXYCR-UHFFFAOYSA-N 1 0 489.462 3.402 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCCCC1 ZINC001304557761 1067626537 /nfs/dbraw/zinc/62/65/37/1067626537.db2.gz WITFNCHHADRGLT-JOCHJYFZSA-N 1 0 459.660 3.067 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001303090221 1067626660 /nfs/dbraw/zinc/62/66/60/1067626660.db2.gz PFLFJMVEJNEEOQ-UHFFFAOYSA-N 1 0 498.672 3.435 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(c3nccnc3C)CC2)n1CC(C)(C)C[NH+](C)C ZINC001304558664 1067627590 /nfs/dbraw/zinc/62/75/90/1067627590.db2.gz BNFBLVKDJBFVIC-UHFFFAOYSA-N 1 0 462.646 3.190 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001303091121 1067627813 /nfs/dbraw/zinc/62/78/13/1067627813.db2.gz MZWJJKNWNKVCSC-LJQANCHMSA-N 1 0 474.675 3.253 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001303091165 1067627819 /nfs/dbraw/zinc/62/78/19/1067627819.db2.gz OMYUAIDORYSVSN-QFIPXVFZSA-N 1 0 460.667 3.021 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001303091204 1067628111 /nfs/dbraw/zinc/62/81/11/1067628111.db2.gz PQYBAMCFGAQEKV-JOCHJYFZSA-N 1 0 496.766 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001304559421 1067628915 /nfs/dbraw/zinc/62/89/15/1067628915.db2.gz KVPIJKXKXWSQAW-UHFFFAOYSA-N 1 0 478.563 3.311 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCSC(C)C ZINC001304559898 1067629110 /nfs/dbraw/zinc/62/91/10/1067629110.db2.gz OQUNHVOQUIJKQF-QFIPXVFZSA-N 1 0 470.687 3.062 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304560327 1067629887 /nfs/dbraw/zinc/62/98/87/1067629887.db2.gz RTIMRQKNTXERTL-GMAHTHKFSA-N 1 0 452.647 3.247 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CC(=O)N(C)C)cc1 ZINC001303094761 1067631442 /nfs/dbraw/zinc/63/14/42/1067631442.db2.gz JDGVSRKAOZILIT-CTNGQTDRSA-N 1 0 454.619 3.131 20 0 JGADRO 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CC(C)[N@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303272193 1067801682 /nfs/dbraw/zinc/80/16/82/1067801682.db2.gz ZZOJBVNAVKGGJI-HXUWFJFHSA-N 1 0 485.658 3.079 20 0 JGADRO CC(C)n1nc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001303275074 1067802313 /nfs/dbraw/zinc/80/23/13/1067802313.db2.gz RMRCRTASEVOJEH-KDURUIRLSA-N 1 0 467.618 3.190 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001303276243 1067803532 /nfs/dbraw/zinc/80/35/32/1067803532.db2.gz CZOSIBKLEWKGEZ-UHFFFAOYSA-N 1 0 455.557 3.209 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N(CCO)Cc1ccc(F)c(Br)c1 ZINC001303275991 1067803624 /nfs/dbraw/zinc/80/36/24/1067803624.db2.gz IEGDNRCNJHSLPE-GOSISDBHSA-N 1 0 498.441 3.413 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303276486 1067803866 /nfs/dbraw/zinc/80/38/66/1067803866.db2.gz HGSMHINEAYIQQK-UHFFFAOYSA-N 1 0 472.634 3.297 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001303276315 1067804063 /nfs/dbraw/zinc/80/40/63/1067804063.db2.gz FZPCDUUZDIAYMY-JOCHJYFZSA-N 1 0 480.592 3.144 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001303277327 1067804638 /nfs/dbraw/zinc/80/46/38/1067804638.db2.gz UEXXVGXXJKWUQG-HXUWFJFHSA-N 1 0 475.037 3.128 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303278255 1067805596 /nfs/dbraw/zinc/80/55/96/1067805596.db2.gz ZZFBGENMNSAUER-UXHICEINSA-N 1 0 464.655 3.348 20 0 JGADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001304732608 1067806076 /nfs/dbraw/zinc/80/60/76/1067806076.db2.gz IAKCQRMBIZHKKZ-UEXGIBASSA-N 1 0 458.655 3.339 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001303278016 1067806135 /nfs/dbraw/zinc/80/61/35/1067806135.db2.gz YYGKNZDNSWFIQN-UHFFFAOYSA-N 1 0 489.550 3.246 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001303278422 1067806312 /nfs/dbraw/zinc/80/63/12/1067806312.db2.gz DCBTYMBVWUJQCC-PMACEKPBSA-N 1 0 474.675 3.253 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001303278421 1067806447 /nfs/dbraw/zinc/80/64/47/1067806447.db2.gz DBGVNYXGCFOLTK-OAQYLSRUSA-N 1 0 477.675 3.118 20 0 JGADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(Cc4c(F)cccc4F)n3CCOCC[NH+](C)C)C2)n1 ZINC001304733945 1067807596 /nfs/dbraw/zinc/80/75/96/1067807596.db2.gz LRUQBABVZOPOGQ-FQEVSTJZSA-N 1 0 487.599 3.380 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001303278907 1067808290 /nfs/dbraw/zinc/80/82/90/1067808290.db2.gz UROVDTFSPLGAQL-SFHVURJKSA-N 1 0 461.010 3.052 20 0 JGADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(CCCc4ccccc4)n3C[C@@H](C)[NH+](C)C)C2)n1 ZINC001304737129 1067811129 /nfs/dbraw/zinc/81/11/29/1067811129.db2.gz OZKRAXFNEZXFEC-XXBNENTESA-N 1 0 450.635 3.453 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(COc4ccc(F)cc4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001304737805 1067811824 /nfs/dbraw/zinc/81/18/24/1067811824.db2.gz RDMRQMRTIUEPAZ-OAQYLSRUSA-N 1 0 470.597 3.386 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)C2CC2)CC1)C(C)C ZINC001303291298 1067815667 /nfs/dbraw/zinc/81/56/67/1067815667.db2.gz NFKPCHCFUAKKCN-UHFFFAOYSA-N 1 0 453.635 3.298 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCCN(c4cccnn4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304740703 1067815958 /nfs/dbraw/zinc/81/59/58/1067815958.db2.gz QZBYPCHNOXNIDY-XZOQPEGZSA-N 1 0 494.692 3.011 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCOC1)C(C)C ZINC001303291739 1067816227 /nfs/dbraw/zinc/81/62/27/1067816227.db2.gz LZQIDYDGFSSKKK-GOSISDBHSA-N 1 0 453.591 3.328 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C ZINC001303291761 1067816491 /nfs/dbraw/zinc/81/64/91/1067816491.db2.gz MQFLPDUEHXDHGE-UHFFFAOYSA-N 1 0 467.662 3.222 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccco3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304741313 1067817087 /nfs/dbraw/zinc/81/70/87/1067817087.db2.gz HTVWECHYURKAGH-BGYRXZFFSA-N 1 0 455.607 3.257 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C(N)=O)C1)C(C)C ZINC001303292412 1067817516 /nfs/dbraw/zinc/81/75/16/1067817516.db2.gz DVLYQYXVCXFAEJ-OAHLLOKOSA-N 1 0 481.414 3.277 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1)C(C)C ZINC001303292856 1067818665 /nfs/dbraw/zinc/81/86/65/1067818665.db2.gz RHEHGQSKFFQIPT-UHFFFAOYSA-N 1 0 496.656 3.438 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001303295358 1067819236 /nfs/dbraw/zinc/81/92/36/1067819236.db2.gz CFAQKPZDNPYSGE-LJQANCHMSA-N 1 0 472.659 3.179 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(O)cc2)CC1)C(C)C ZINC001303296255 1067819942 /nfs/dbraw/zinc/81/99/42/1067819942.db2.gz CUCRKKQJMWSRNJ-UHFFFAOYSA-N 1 0 463.630 3.415 20 0 JGADRO CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1)C(C)C ZINC001303297133 1067820921 /nfs/dbraw/zinc/82/09/21/1067820921.db2.gz ODDLBBJQSLBWHM-VXKWHMMOSA-N 1 0 460.667 3.162 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001304743381 1067821118 /nfs/dbraw/zinc/82/11/18/1067821118.db2.gz JIECDUMIJUGPCQ-KNKQGSTJSA-N 1 0 457.667 3.369 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(COC(=O)N2)CC1)C(C)C ZINC001303297246 1067821250 /nfs/dbraw/zinc/82/12/50/1067821250.db2.gz PXKQTJLJFWTPKG-UHFFFAOYSA-N 1 0 458.582 3.206 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001303297671 1067821678 /nfs/dbraw/zinc/82/16/78/1067821678.db2.gz UPTFZZSHFVGCTO-DEOSSOPVSA-N 1 0 495.640 3.281 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4cnn(C)c4)n3CC(C)(C)C(F)(F)F)CC2)CC1 ZINC001303298194 1067822522 /nfs/dbraw/zinc/82/25/22/1067822522.db2.gz PTPWEVMOZOKBTR-UHFFFAOYSA-N 1 0 482.599 3.262 20 0 JGADRO CC(C)[NH+](CCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001303298424 1067823715 /nfs/dbraw/zinc/82/37/15/1067823715.db2.gz UKAVVCUULQPDDU-IBGZPJMESA-N 1 0 463.652 3.039 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)C(C)C ZINC001303299680 1067823970 /nfs/dbraw/zinc/82/39/70/1067823970.db2.gz XPXBRJUTCMQZCM-INIZCTEOSA-N 1 0 467.540 3.272 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccccc3F)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001303301204 1067825378 /nfs/dbraw/zinc/82/53/78/1067825378.db2.gz CGLKKDSNZLZTJF-UHFFFAOYSA-N 1 0 485.526 3.213 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc4cccnc43)nnc2N(C)CCCCCO)CC1 ZINC001303301335 1067825628 /nfs/dbraw/zinc/82/56/28/1067825628.db2.gz GVYIEMJGISVVDA-UHFFFAOYSA-N 1 0 466.630 3.327 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001303301489 1067825637 /nfs/dbraw/zinc/82/56/37/1067825637.db2.gz IMQPWTDURDGRAY-RDPSFJRHSA-N 1 0 463.667 3.049 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001303301485 1067825697 /nfs/dbraw/zinc/82/56/97/1067825697.db2.gz IMQPWTDURDGRAY-GBXCKJPGSA-N 1 0 463.667 3.049 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001303302125 1067826764 /nfs/dbraw/zinc/82/67/64/1067826764.db2.gz CFXNGCAXIDUVOG-NVXWUHKLSA-N 1 0 451.413 3.381 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N3CCCN(C(=O)CC4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001303302260 1067826943 /nfs/dbraw/zinc/82/69/43/1067826943.db2.gz HBODJCXCIRJBBV-UHFFFAOYSA-N 1 0 488.721 3.430 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304747728 1067827152 /nfs/dbraw/zinc/82/71/52/1067827152.db2.gz FGUMQAAZUDDPPM-WOJBJXKFSA-N 1 0 488.681 3.219 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CCOc3ccccc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001303302504 1067827142 /nfs/dbraw/zinc/82/71/42/1067827142.db2.gz KISKSYFAEIGLCW-UHFFFAOYSA-N 1 0 459.610 3.319 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001303302911 1067827762 /nfs/dbraw/zinc/82/77/62/1067827762.db2.gz CEJIQHCCMUMHGW-MSOLQXFVSA-N 1 0 467.540 3.403 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccccc2)CC1 ZINC001303302528 1067827817 /nfs/dbraw/zinc/82/78/17/1067827817.db2.gz LDXMDVLGEGVNBF-UHFFFAOYSA-N 1 0 482.654 3.141 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001303302973 1067828105 /nfs/dbraw/zinc/82/81/05/1067828105.db2.gz OSQLGXRWGKVRHS-SFHVURJKSA-N 1 0 459.557 3.014 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2C[C@H](C)C[NH+]2CCCC2)n1 ZINC001304748757 1067828212 /nfs/dbraw/zinc/82/82/12/1067828212.db2.gz KUBSURNJPCWCGG-UZUQRXQVSA-N 1 0 497.610 3.401 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303399 1067828628 /nfs/dbraw/zinc/82/86/28/1067828628.db2.gz GOGBRSDBMCCRBI-LEWJYISDSA-N 1 0 476.666 3.350 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304749520 1067829072 /nfs/dbraw/zinc/82/90/72/1067829072.db2.gz LMMFVLHDFIDXPT-NFBKMPQASA-N 1 0 465.646 3.259 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CCC[NH+]2CCCC2)n1 ZINC001304750169 1067830078 /nfs/dbraw/zinc/83/00/78/1067830078.db2.gz USMWQWOYSCDYNC-JOCHJYFZSA-N 1 0 484.693 3.003 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001303304940 1067832135 /nfs/dbraw/zinc/83/21/35/1067832135.db2.gz LCNYXFVANHMFCE-GMAHTHKFSA-N 1 0 452.647 3.241 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCOC2)CC1 ZINC001303305221 1067832609 /nfs/dbraw/zinc/83/26/09/1067832609.db2.gz PBULCBBDEHTNTM-QGZVFWFLSA-N 1 0 465.440 3.393 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001303305050 1067832711 /nfs/dbraw/zinc/83/27/11/1067832711.db2.gz QTHKBSKWGVWOLD-ICSRJNTNSA-N 1 0 459.038 3.310 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304752782 1067833118 /nfs/dbraw/zinc/83/31/18/1067833118.db2.gz UJKDFSXHDUEDFY-RTBURBONSA-N 1 0 483.583 3.418 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCOc2ccc(F)c(F)c2)n1 ZINC001304752842 1067833140 /nfs/dbraw/zinc/83/31/40/1067833140.db2.gz AENYZKOSXFEENL-UHFFFAOYSA-N 1 0 473.572 3.464 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304752927 1067833634 /nfs/dbraw/zinc/83/36/34/1067833634.db2.gz CRMQXPVYGQHXJV-UHFFFAOYSA-N 1 0 473.666 3.034 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001303306136 1067834358 /nfs/dbraw/zinc/83/43/58/1067834358.db2.gz ZBUAFUGLSWVFGQ-VQTJNVASSA-N 1 0 497.669 3.456 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001303306135 1067834397 /nfs/dbraw/zinc/83/43/97/1067834397.db2.gz ZBUAFUGLSWVFGQ-UXHICEINSA-N 1 0 497.669 3.456 20 0 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CC(C)[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303311233 1067840615 /nfs/dbraw/zinc/84/06/15/1067840615.db2.gz XFFRTYHYBYKBBY-FQEVSTJZSA-N 1 0 486.665 3.246 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC2(O)CCOCC2)CC1 ZINC001303311895 1067841143 /nfs/dbraw/zinc/84/11/43/1067841143.db2.gz QGAWUKLYCGHIRQ-UHFFFAOYSA-N 1 0 496.425 3.309 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304756860 1067841174 /nfs/dbraw/zinc/84/11/74/1067841174.db2.gz VPHLYEAEXWNOTN-HXUWFJFHSA-N 1 0 488.681 3.221 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303312055 1067841524 /nfs/dbraw/zinc/84/15/24/1067841524.db2.gz WWXAMDRBWJXMNA-UHFFFAOYSA-N 1 0 450.990 3.430 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303312538 1067841858 /nfs/dbraw/zinc/84/18/58/1067841858.db2.gz FBJUOBIQYJDIOB-UHFFFAOYSA-N 1 0 451.619 3.130 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001304757994 1067841920 /nfs/dbraw/zinc/84/19/20/1067841920.db2.gz BREIOKAWXQBPOM-UGKGYDQZSA-N 1 0 455.582 3.197 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@](C)(O)c2cccs2)n1 ZINC001304758566 1067843168 /nfs/dbraw/zinc/84/31/68/1067843168.db2.gz GLXSBFJYZHMMQD-QHCPKHFHSA-N 1 0 457.648 3.029 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(Br)ccc2F)CC1 ZINC001303316858 1067844792 /nfs/dbraw/zinc/84/47/92/1067844792.db2.gz LGPNQHCCFFGBJH-UHFFFAOYSA-N 1 0 493.425 3.075 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001303317031 1067844812 /nfs/dbraw/zinc/84/48/12/1067844812.db2.gz NDOCZYCBNULXJL-AREMUKBSSA-N 1 0 468.646 3.163 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304759377 1067844884 /nfs/dbraw/zinc/84/48/84/1067844884.db2.gz KYNRQTFRKKEIDL-AREMUKBSSA-N 1 0 483.636 3.398 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303317117 1067845457 /nfs/dbraw/zinc/84/54/57/1067845457.db2.gz QKWCYQICACDZDX-HSZRJFAPSA-N 1 0 497.688 3.465 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)N(C)C)CC1 ZINC001303317035 1067845504 /nfs/dbraw/zinc/84/55/04/1067845504.db2.gz NLOUFQVSNRBYNN-UHFFFAOYSA-N 1 0 469.417 3.173 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001303317368 1067845915 /nfs/dbraw/zinc/84/59/15/1067845915.db2.gz WMQVNSAHXYLKGO-KSZLIROESA-N 1 0 484.592 3.003 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCSC2)CC1 ZINC001303317285 1067845952 /nfs/dbraw/zinc/84/59/52/1067845952.db2.gz SVSGSXLZSFGWGD-GBESFXJTSA-N 1 0 464.680 3.332 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001303317547 1067846391 /nfs/dbraw/zinc/84/63/91/1067846391.db2.gz ZFQXIDZDBCACRG-UHFFFAOYSA-N 1 0 490.580 3.157 20 0 JGADRO 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BIHCESMQBGBSPN-FCHUYYIVSA-N 1 0 460.667 3.240 20 0 JGADRO CC1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001305106007 1068174131 /nfs/dbraw/zinc/17/41/31/1068174131.db2.gz ALJIRNOWTCNVSN-UHFFFAOYSA-N 1 0 471.009 3.139 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCNC(=O)C2)CC1 ZINC001305106250 1068174149 /nfs/dbraw/zinc/17/41/49/1068174149.db2.gz SBSBMHWELRLQDT-UHFFFAOYSA-N 1 0 451.402 3.310 20 0 JGADRO CC1CC[NH+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001305106474 1068174174 /nfs/dbraw/zinc/17/41/74/1068174174.db2.gz KHPKERKQGOIXQS-IBGZPJMESA-N 1 0 475.659 3.084 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001303646048 1068174468 /nfs/dbraw/zinc/17/44/68/1068174468.db2.gz ORGUAGXQNKWOKO-HNAYVOBHSA-N 1 0 475.435 3.425 20 0 JGADRO C[C@H](N1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCC(C)CC2)CC1)C(F)(F)F ZINC001305106883 1068175220 /nfs/dbraw/zinc/17/52/20/1068175220.db2.gz GQROXVCFRXPGMV-RBUKOAKNSA-N 1 0 458.573 3.324 20 0 JGADRO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001303647862 1068175760 /nfs/dbraw/zinc/17/57/60/1068175760.db2.gz XVNOBRGJKMLOCP-OAHLLOKOSA-N 1 0 456.368 3.229 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CCC[NH+]1CCC(C)CC1 ZINC001305107093 1068175766 /nfs/dbraw/zinc/17/57/66/1068175766.db2.gz YIWYKMREHYFXMM-HXUWFJFHSA-N 1 0 484.670 3.485 20 0 JGADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[NH+]1CCC(C)CC1 ZINC001305107042 1068175784 /nfs/dbraw/zinc/17/57/84/1068175784.db2.gz NBFPEARVQKTOQU-UXHICEINSA-N 1 0 499.685 3.325 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCN2CCOCC2)n1CC[NH+]1CCC(C)CC1 ZINC001305107448 1068176212 /nfs/dbraw/zinc/17/62/12/1068176212.db2.gz OUUSGVVKOXGGEV-NRFANRHFSA-N 1 0 474.625 3.058 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001305107266 1068176244 /nfs/dbraw/zinc/17/62/44/1068176244.db2.gz JMJAAUKXDHZUND-IBGZPJMESA-N 1 0 464.536 3.182 20 0 JGADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCSC(F)(F)F)C2)CC1 ZINC001305107449 1068176358 /nfs/dbraw/zinc/17/63/58/1068176358.db2.gz JBYKOVIZMQEWKN-IRXDYDNUSA-N 1 0 474.597 3.431 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](c3ccccc3)C[C@@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001305107795 1068176874 /nfs/dbraw/zinc/17/68/74/1068176874.db2.gz QXFSIECFXHMPOV-JAXLGGSGSA-N 1 0 474.675 3.003 20 0 JGADRO CC1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001305108033 1068177420 /nfs/dbraw/zinc/17/74/20/1068177420.db2.gz QYZAVHGOWYJTNJ-RTWAWAEBSA-N 1 0 476.666 3.350 20 0 JGADRO CC1CC[NH+](CCn2c(-c3cccn3C)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001305108981 1068178425 /nfs/dbraw/zinc/17/84/25/1068178425.db2.gz XVMMAIMYKYURQQ-UHFFFAOYSA-N 1 0 457.623 3.073 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001303649724 1068178975 /nfs/dbraw/zinc/17/89/75/1068178975.db2.gz AEBMEUARLDKIMM-UGKGYDQZSA-N 1 0 454.619 3.254 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001305110163 1068180745 /nfs/dbraw/zinc/18/07/45/1068180745.db2.gz XTBHOLCAFYPLHD-JOCHJYFZSA-N 1 0 488.702 3.240 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001305110622 1068181757 /nfs/dbraw/zinc/18/17/57/1068181757.db2.gz MOUKNDNWRBATOR-JOCHJYFZSA-N 1 0 483.661 3.441 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3cccnc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305110657 1068181830 /nfs/dbraw/zinc/18/18/30/1068181830.db2.gz NTEVWABAEWQXAM-JOCHJYFZSA-N 1 0 483.661 3.489 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305111625 1068183504 /nfs/dbraw/zinc/18/35/04/1068183504.db2.gz BKMRWBNKIFPKQA-QHAWAJNXSA-N 1 0 462.683 3.278 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@@H](C)O1 ZINC001305111558 1068183598 /nfs/dbraw/zinc/18/35/98/1068183598.db2.gz AIINCWRBXKHQDP-GVDBMIGSSA-N 1 0 493.027 3.292 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(N3CCN(c4ncccc4F)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305111650 1068184039 /nfs/dbraw/zinc/18/40/39/1068184039.db2.gz FCBJNVYGHXCAKQ-OALUTQOASA-N 1 0 473.641 3.324 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001303654442 1068186691 /nfs/dbraw/zinc/18/66/91/1068186691.db2.gz VINWVWXSLYEYQU-ZJSXRUAMSA-N 1 0 475.641 3.266 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N(C)[C@@H]2CCOC2)C[C@H](C)O1 ZINC001305112549 1068186668 /nfs/dbraw/zinc/18/66/68/1068186668.db2.gz MIBGPEUSERWZES-CEXWTWQISA-N 1 0 461.582 3.109 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@@H](C)O1 ZINC001305112400 1068186696 /nfs/dbraw/zinc/18/66/96/1068186696.db2.gz LMOYLBHBOXJLOD-QZTJIDSGSA-N 1 0 487.052 3.175 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(F)(F)C2)C[C@H](C)O1 ZINC001305112629 1068187345 /nfs/dbraw/zinc/18/73/45/1068187345.db2.gz NPCKAORKTLTDBN-HOTGVXAUSA-N 1 0 482.601 3.003 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCC3=O)CC2)C[C@H](C)O1 ZINC001305112553 1068187521 /nfs/dbraw/zinc/18/75/21/1068187521.db2.gz MIFICRJUCYDGBA-BGYRXZFFSA-N 1 0 474.694 3.346 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CC(C)(C)OC(C)(C)C2)C[C@H](C)O1 ZINC001305112727 1068188000 /nfs/dbraw/zinc/18/80/00/1068188000.db2.gz OZWOVQBXQYYRBF-HSALFYBXSA-N 1 0 463.667 3.454 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)C[C@H](C)O1 ZINC001305112918 1068188644 /nfs/dbraw/zinc/18/86/44/1068188644.db2.gz QMBGJABTPNLKEW-SFTDATJTSA-N 1 0 497.688 3.112 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC001305113146 1068189291 /nfs/dbraw/zinc/18/92/91/1068189291.db2.gz MIVGZLQEOFPYDE-SBHAEUEKSA-N 1 0 482.673 3.442 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnn(C)c2)C[C@H](C)O1 ZINC001305113131 1068189499 /nfs/dbraw/zinc/18/94/99/1068189499.db2.gz SAHYRGBENBGKBJ-ROUUACIJSA-N 1 0 487.599 3.405 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001305113624 1068190044 /nfs/dbraw/zinc/19/00/44/1068190044.db2.gz BKLFKQYXHGOWDI-OXJNMPFZSA-N 1 0 456.591 3.039 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N(C)Cc2cnccn2)C[C@H](C)O1 ZINC001305113699 1068190692 /nfs/dbraw/zinc/19/06/92/1068190692.db2.gz VXSXHQDDDTXGHP-OYRHEFFESA-N 1 0 463.630 3.378 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC001305114073 1068191218 /nfs/dbraw/zinc/19/12/18/1068191218.db2.gz XHYIFGXXFZCQFC-BBWFWOEESA-N 1 0 459.557 3.449 20 0 JGADRO C[C@H](CCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)CC1)[NH+]1CCCCC1 ZINC001303661978 1068192896 /nfs/dbraw/zinc/19/28/96/1068192896.db2.gz BVUFEWRKZPOGMQ-QGZVFWFLSA-N 1 0 475.435 3.298 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCCC1 ZINC001305114650 1068192957 /nfs/dbraw/zinc/19/29/57/1068192957.db2.gz GLBRTLNOUTWLOM-MRXNPFEDSA-N 1 0 475.435 3.249 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305116437 1068195530 /nfs/dbraw/zinc/19/55/30/1068195530.db2.gz FWQXJGDGDPZGAE-AVRWGWEMSA-N 1 0 470.687 3.347 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305116441 1068196084 /nfs/dbraw/zinc/19/60/84/1068196084.db2.gz FWQXJGDGDPZGAE-CJAUYULYSA-N 1 0 470.687 3.347 20 0 JGADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCCCCC1 ZINC001303663925 1068196110 /nfs/dbraw/zinc/19/61/10/1068196110.db2.gz QEJQSXBFQFNOQQ-DENIHFKCSA-N 1 0 454.619 3.268 20 0 JGADRO C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC001303664365 1068196781 /nfs/dbraw/zinc/19/67/81/1068196781.db2.gz UUEOKCCHAKRCOC-VSKRKVRLSA-N 1 0 488.702 3.394 20 0 JGADRO C[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303665101 1068198255 /nfs/dbraw/zinc/19/82/55/1068198255.db2.gz AMUHHIXTDBDOEE-RTWAWAEBSA-N 1 0 460.667 3.449 20 0 JGADRO C[C@@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC001303665598 1068198903 /nfs/dbraw/zinc/19/89/03/1068198903.db2.gz DCECAUCSNVPWKK-OALUTQOASA-N 1 0 475.037 3.442 20 0 JGADRO C[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303665709 1068199400 /nfs/dbraw/zinc/19/94/00/1068199400.db2.gz DYXLHAXMCVXUTE-FQEVSTJZSA-N 1 0 460.667 3.449 20 0 JGADRO C[C@@H](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303667091 1068201409 /nfs/dbraw/zinc/20/14/09/1068201409.db2.gz FYJQOOAADLHMAF-PZJWPPBQSA-N 1 0 477.650 3.286 20 0 JGADRO C[C@H](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303667092 1068201465 /nfs/dbraw/zinc/20/14/65/1068201465.db2.gz FYJQOOAADLHMAF-TZIWHRDSSA-N 1 0 477.650 3.286 20 0 JGADRO C[C@H](CCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667385 1068202026 /nfs/dbraw/zinc/20/20/26/1068202026.db2.gz RHUBOOSPOVBUIK-DHIUTWEWSA-N 1 0 487.737 3.363 20 0 JGADRO C[C@H](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001303667815 1068202405 /nfs/dbraw/zinc/20/24/05/1068202405.db2.gz JJFNBZCCWXUKCY-MSOLQXFVSA-N 1 0 460.573 3.113 20 0 JGADRO C[C@@H](CCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667388 1068202468 /nfs/dbraw/zinc/20/24/68/1068202468.db2.gz RHUBOOSPOVBUIK-XZOQPEGZSA-N 1 0 487.737 3.363 20 0 JGADRO C[C@H](CCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001303667658 1068202510 /nfs/dbraw/zinc/20/25/10/1068202510.db2.gz TWCSTBWNANRLHS-LJQANCHMSA-N 1 0 463.630 3.143 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C)C(=O)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC001303668518 1068202987 /nfs/dbraw/zinc/20/29/87/1068202987.db2.gz NAENKWFRGIQPGF-URVUXULASA-N 1 0 454.619 3.097 20 0 JGADRO C[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC001303669016 1068203333 /nfs/dbraw/zinc/20/33/33/1068203333.db2.gz RQJPJIPEIXQWDN-PZJWPPBQSA-N 1 0 454.619 3.418 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(CSc2ccc(Cl)cc2)n1CC[NH+]1CCCCC1 ZINC001305121054 1068203527 /nfs/dbraw/zinc/20/35/27/1068203527.db2.gz GWORKGYMILQPRI-KRWDZBQOSA-N 1 0 463.051 3.377 20 0 JGADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1Cc2cc(Br)ccc2[C@@H](C)C1)[NH+](C)C ZINC001305122894 1068206896 /nfs/dbraw/zinc/20/68/96/1068206896.db2.gz YMLDGEDMKNOAMN-JKSUJKDBSA-N 1 0 475.435 3.350 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001303672567 1068208461 /nfs/dbraw/zinc/20/84/61/1068208461.db2.gz TUFJIEYOZZABKM-FPOVZHCZSA-N 1 0 486.665 3.246 20 0 JGADRO C[C@H](CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C[NH+](C)C)c1)c1nccs1 ZINC001303674119 1068211450 /nfs/dbraw/zinc/21/14/50/1068211450.db2.gz JWTHCCIQKBHYJS-GOSISDBHSA-N 1 0 467.643 3.320 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303674007 1068211538 /nfs/dbraw/zinc/21/15/38/1068211538.db2.gz IWAHTMVHPFRTKM-RTBURBONSA-N 1 0 464.655 3.206 20 0 JGADRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)CCC(=O)c2ccccn2)CC1 ZINC001303674246 1068211966 /nfs/dbraw/zinc/21/19/66/1068211966.db2.gz AEXDNLRIOMZYEJ-BGYRXZFFSA-N 1 0 456.587 3.119 20 0 JGADRO C[C@H](CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001303674772 1068212971 /nfs/dbraw/zinc/21/29/71/1068212971.db2.gz PPEPHZYWLPEWJJ-DVECYGJZSA-N 1 0 456.660 3.191 20 0 JGADRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)[NH+](C)C ZINC001305130548 1068215691 /nfs/dbraw/zinc/21/56/91/1068215691.db2.gz BVPLTBKNSJHPCE-OTWHNJEPSA-N 1 0 461.582 3.282 20 0 JGADRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)C[C@](C)(O)c2ccccc2)CC1 ZINC001303680053 1068216675 /nfs/dbraw/zinc/21/66/75/1068216675.db2.gz VXWVZIATXJEBBQ-VRUMLPLGSA-N 1 0 457.615 3.359 20 0 JGADRO CN(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001303679153 1068216804 /nfs/dbraw/zinc/21/68/04/1068216804.db2.gz RHRYAHPMNNSMPQ-XPWALMASSA-N 1 0 456.631 3.364 20 0 JGADRO CN(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001303679155 1068216849 /nfs/dbraw/zinc/21/68/49/1068216849.db2.gz RHRYAHPMNNSMPQ-ZRBLBEILSA-N 1 0 456.631 3.364 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305132802 1068218647 /nfs/dbraw/zinc/21/86/47/1068218647.db2.gz JVNPIBWWHDFCHQ-WERVVEIQSA-N 1 0 461.582 3.018 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC1CCC(F)(F)CC1 ZINC001305133298 1068219364 /nfs/dbraw/zinc/21/93/64/1068219364.db2.gz MANZQGFJECJXFD-IRXDYDNUSA-N 1 0 488.649 3.024 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC1CCC(F)(F)CC1 ZINC001305133296 1068219594 /nfs/dbraw/zinc/21/95/94/1068219594.db2.gz MANZQGFJECJXFD-DLBZAZTESA-N 1 0 488.649 3.024 20 0 JGADRO C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cc(Br)c[nH]3)n1CC(C)(C)C[NH+](C)C)C[C@@H](C)O2 ZINC001305133316 1068220066 /nfs/dbraw/zinc/22/00/66/1068220066.db2.gz NMRXJHWYZRPJEH-ZMPRRUGASA-N 1 0 495.466 3.396 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCC(=O)N(C)C ZINC001305133998 1068221172 /nfs/dbraw/zinc/22/11/72/1068221172.db2.gz OAXHNXYTJZCVJL-MOPGFXCFSA-N 1 0 472.609 3.346 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCC(O)CC2)CC(C)(C)O1 ZINC001305133832 1068221245 /nfs/dbraw/zinc/22/12/45/1068221245.db2.gz AZRVWIVZDQSKEM-QGZVFWFLSA-N 1 0 479.572 3.397 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1)[NH+](C)C ZINC001303685151 1068223040 /nfs/dbraw/zinc/22/30/40/1068223040.db2.gz OHJCMVDAHYNORK-IAGOWNOFSA-N 1 0 469.977 3.187 20 0 JGADRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(F)F)C1)[NH+](C)C ZINC001303688846 1068227558 /nfs/dbraw/zinc/22/75/58/1068227558.db2.gz PGWLMUSNQXXRFE-GOEBONIOSA-N 1 0 454.953 3.293 20 0 JGADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1)Sc1ccccc1 ZINC001303688888 1068228241 /nfs/dbraw/zinc/22/82/41/1068228241.db2.gz PQKGJGDAHNDGMS-RTBURBONSA-N 1 0 492.715 3.134 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC001305137932 1068229002 /nfs/dbraw/zinc/22/90/02/1068229002.db2.gz NKMLQBZIRKOKIM-MRXNPFEDSA-N 1 0 492.466 3.215 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC001305138720 1068231973 /nfs/dbraw/zinc/23/19/73/1068231973.db2.gz QYJKUAQFXGXTDJ-QZTJIDSGSA-N 1 0 478.588 3.186 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](O)(c2ccccc2F)C1)[NH+](C)C ZINC001303691776 1068232214 /nfs/dbraw/zinc/23/22/14/1068232214.db2.gz JDVAZAHYJSQLDE-LHSJRXKWSA-N 1 0 477.382 3.223 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CCS1 ZINC001305139035 1068232276 /nfs/dbraw/zinc/23/22/76/1068232276.db2.gz RWKKFRIXKLFTAU-SCLBCKFNSA-N 1 0 471.494 3.415 20 0 JGADRO C[C@H](Cc1cccs1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001305139188 1068232349 /nfs/dbraw/zinc/23/23/49/1068232349.db2.gz WEKOMKVKICQAMP-CEXWTWQISA-N 1 0 494.731 3.139 20 0 JGADRO C[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+](C)C ZINC001303692049 1068232808 /nfs/dbraw/zinc/23/28/08/1068232808.db2.gz OQFKUJQWPKRQGP-SJORKVTESA-N 1 0 476.551 3.358 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[NH+](C)C ZINC001303692231 1068233400 /nfs/dbraw/zinc/23/34/00/1068233400.db2.gz SNTZEHPTZDZWEI-LBPRGKRZSA-N 1 0 496.351 3.008 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[NH+](C)C ZINC001303692230 1068233569 /nfs/dbraw/zinc/23/35/69/1068233569.db2.gz SNTZEHPTZDZWEI-GFCCVEGCSA-N 1 0 496.351 3.008 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001303692327 1068233981 /nfs/dbraw/zinc/23/39/81/1068233981.db2.gz VKBUFOORADJXGI-WHSLLNHNSA-N 1 0 464.408 3.042 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCN(c2nccs2)CC1)[NH+](C)C ZINC001303692449 1068234132 /nfs/dbraw/zinc/23/41/32/1068234132.db2.gz XIFSJZGVYXLQHW-OAHLLOKOSA-N 1 0 493.479 3.169 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001303693148 1068235337 /nfs/dbraw/zinc/23/53/37/1068235337.db2.gz COKMYEOMFWYIKJ-VQTJNVASSA-N 1 0 490.718 3.301 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCOCCCO)CC[N@@H+](C2CCC2)C1 ZINC001305141350 1068236338 /nfs/dbraw/zinc/23/63/38/1068236338.db2.gz APENUDWHLLLINK-MRXNPFEDSA-N 1 0 498.491 3.479 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](Cn2cccn2)C1)[NH+](C)C ZINC001303693765 1068236358 /nfs/dbraw/zinc/23/63/58/1068236358.db2.gz JLHACIVEBJPXGO-DOTOQJQBSA-N 1 0 464.401 3.304 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001303694513 1068237191 /nfs/dbraw/zinc/23/71/91/1068237191.db2.gz FEFCEFBRAVCLDW-WMZOPIPTSA-N 1 0 496.628 3.160 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001303694166 1068237367 /nfs/dbraw/zinc/23/73/67/1068237367.db2.gz MKQJNFWXBKAFCA-CVEARBPZSA-N 1 0 464.014 3.389 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC(C)(C)O1 ZINC001305142669 1068240167 /nfs/dbraw/zinc/24/01/67/1068240167.db2.gz GRAWWGOFZSWNDT-IBGZPJMESA-N 1 0 489.686 3.474 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+](C)C ZINC001303697216 1068240826 /nfs/dbraw/zinc/24/08/26/1068240826.db2.gz WVZFKJWVJAOKBL-HNNXBMFYSA-N 1 0 485.496 3.266 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H]1c1nncn1C)[NH+](C)C ZINC001303699290 1068242025 /nfs/dbraw/zinc/24/20/25/1068242025.db2.gz HNMRCRALWRQNLZ-GUYCJALGSA-N 1 0 477.386 3.267 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)CN1CCOCC1)[N@H+](C)C1CC1 ZINC001303700049 1068242655 /nfs/dbraw/zinc/24/26/55/1068242655.db2.gz AIXDISSGJBPQCK-IBGZPJMESA-N 1 0 458.626 3.362 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)c2ccsc2)CC1)[NH+](C)C ZINC001303700510 1068243957 /nfs/dbraw/zinc/24/39/57/1068243957.db2.gz FWYXPVSQGMFMPR-MRXNPFEDSA-N 1 0 456.591 3.495 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)C1)[NH+]1CCCC1 ZINC001305144660 1068244911 /nfs/dbraw/zinc/24/49/11/1068244911.db2.gz RAOFSFDNYHYACF-GHTZIAJQSA-N 1 0 477.700 3.411 20 0 JGADRO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303702867 1068246941 /nfs/dbraw/zinc/24/69/41/1068246941.db2.gz GHLAOAHWUIRNBM-HKUYNNGSSA-N 1 0 455.607 3.316 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](CC2CC2)[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303703506 1068248141 /nfs/dbraw/zinc/24/81/41/1068248141.db2.gz RKGKIRDDVVNVQO-MISYRCLQSA-N 1 0 471.650 3.363 20 0 JGADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303706247 1068250681 /nfs/dbraw/zinc/25/06/81/1068250681.db2.gz WTALZPZLWDSVCG-QGZVFWFLSA-N 1 0 457.623 3.497 20 0 JGADRO C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(CCC(N)=O)CC1)[NH+](C)C ZINC001303706549 1068251265 /nfs/dbraw/zinc/25/12/65/1068251265.db2.gz AMUANMBQAAWMIE-QGZVFWFLSA-N 1 0 451.575 3.032 20 0 JGADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC001303709712 1068256209 /nfs/dbraw/zinc/25/62/09/1068256209.db2.gz WRYJAJDXJYXUIB-HNAYVOBHSA-N 1 0 461.492 3.282 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1)[NH+](C)C ZINC001303711891 1068257263 /nfs/dbraw/zinc/25/72/63/1068257263.db2.gz HFWZOZKWQYDSGL-KBXCAEBGSA-N 1 0 499.969 3.178 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F)[N@H+](C)C1CC1 ZINC001303714346 1068260283 /nfs/dbraw/zinc/26/02/83/1068260283.db2.gz YEBNPRWJSOAKCF-KSSFIOAISA-N 1 0 450.509 3.367 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001305153193 1068261218 /nfs/dbraw/zinc/26/12/18/1068261218.db2.gz XZCJBWBZCBRXBW-SIKLNZKXSA-N 1 0 461.054 3.486 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303715545 1068261753 /nfs/dbraw/zinc/26/17/53/1068261753.db2.gz DCEIGEHLVKADRS-CTNGQTDRSA-N 1 0 480.579 3.377 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001305154302 1068262971 /nfs/dbraw/zinc/26/29/71/1068262971.db2.gz MQSWTYCIVLNPNK-INIZCTEOSA-N 1 0 464.408 3.044 20 0 JGADRO C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCc1ccccc1F)[NH+](C)C ZINC001303715884 1068263299 /nfs/dbraw/zinc/26/32/99/1068263299.db2.gz FKJCKSOUKINEOQ-LJQANCHMSA-N 1 0 466.609 3.220 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H](C)S1 ZINC001305154898 1068263468 /nfs/dbraw/zinc/26/34/68/1068263468.db2.gz PHVGGIIOWGPBBT-QEEYODRMSA-N 1 0 466.449 3.104 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H](C)S1 ZINC001305154900 1068263490 /nfs/dbraw/zinc/26/34/90/1068263490.db2.gz PHVGGIIOWGPBBT-SXGZJXTBSA-N 1 0 466.449 3.104 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303716214 1068263708 /nfs/dbraw/zinc/26/37/08/1068263708.db2.gz DPKJACBRQULFPA-RTBURBONSA-N 1 0 476.666 3.491 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCc1nccs1)[NH+](C)C ZINC001303716614 1068263814 /nfs/dbraw/zinc/26/38/14/1068263814.db2.gz GBDSEXFBFOCTPZ-ROUUACIJSA-N 1 0 477.679 3.478 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303716857 1068264581 /nfs/dbraw/zinc/26/45/81/1068264581.db2.gz JHYJGOVTMALYSZ-UXHICEINSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1)[NH+](C)C ZINC001303717076 1068265144 /nfs/dbraw/zinc/26/51/44/1068265144.db2.gz ITJCUIRJCZRWQS-VAMGGRTRSA-N 1 0 462.664 3.041 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN(C)CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC001305156696 1068265228 /nfs/dbraw/zinc/26/52/28/1068265228.db2.gz HVMQDLAMWNJCTP-QGZVFWFLSA-N 1 0 451.541 3.145 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC001305158320 1068266877 /nfs/dbraw/zinc/26/68/77/1068266877.db2.gz OKHNQTXPXIZFRF-BGYRXZFFSA-N 1 0 450.587 3.137 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCc2c(cc[nH]c2=O)C1)[NH+](C)C ZINC001303718555 1068267311 /nfs/dbraw/zinc/26/73/11/1068267311.db2.gz QLADRZVDBWYQIL-HKUYNNGSSA-N 1 0 485.633 3.006 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nccs1)[NH+](C)C ZINC001303719131 1068267995 /nfs/dbraw/zinc/26/79/95/1068267995.db2.gz SHTHTGHTAMLCDQ-SJORKVTESA-N 1 0 463.652 3.436 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303719600 1068268545 /nfs/dbraw/zinc/26/85/45/1068268545.db2.gz YNWVJYPAAWZFQB-XUZZJYLKSA-N 1 0 482.673 3.387 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303719601 1068268601 /nfs/dbraw/zinc/26/86/01/1068268601.db2.gz YNWVJYPAAWZFQB-ZJSXRUAMSA-N 1 0 482.673 3.387 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[NH+]2CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305159889 1068268708 /nfs/dbraw/zinc/26/87/08/1068268708.db2.gz GJFSPJZCGRUGQZ-MOPGFXCFSA-N 1 0 457.623 3.119 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305162596 1068270574 /nfs/dbraw/zinc/27/05/74/1068270574.db2.gz KMHGGVJPYBUSEQ-PKOBYXMFSA-N 1 0 484.605 3.020 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccc(F)cc2C1)[NH+](C)C ZINC001303722441 1068272218 /nfs/dbraw/zinc/27/22/18/1068272218.db2.gz AHVNKJMCCBEONQ-UTKZUKDTSA-N 1 0 488.608 3.238 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)C(C)C ZINC001305163672 1068272601 /nfs/dbraw/zinc/27/26/01/1068272601.db2.gz BDGFFZZZJFCDJD-WMZOPIPTSA-N 1 0 455.529 3.400 20 0 JGADRO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001305163798 1068273102 /nfs/dbraw/zinc/27/31/02/1068273102.db2.gz IMHHPLAJGGCURR-RTBURBONSA-N 1 0 484.649 3.207 20 0 JGADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)N1CCOCC1 ZINC001303723416 1068273850 /nfs/dbraw/zinc/27/38/50/1068273850.db2.gz GRVJESQVBSAWBJ-QFIPXVFZSA-N 1 0 454.663 3.300 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC[NH+](C)C)C[C@H](C)S1 ZINC001305164371 1068274314 /nfs/dbraw/zinc/27/43/14/1068274314.db2.gz LRQNPYQYWPYRKS-KDURUIRLSA-N 1 0 455.632 3.039 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+](C)C2CCCCC2)CCN1CC(F)(F)F ZINC001305164694 1068274777 /nfs/dbraw/zinc/27/47/77/1068274777.db2.gz NCQMZQXFKIYVDJ-GOSISDBHSA-N 1 0 482.599 3.406 20 0 JGADRO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC001303726446 1068278631 /nfs/dbraw/zinc/27/86/31/1068278631.db2.gz DJOKSBIMJHOSHS-INIZCTEOSA-N 1 0 451.587 3.200 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001303726624 1068279433 /nfs/dbraw/zinc/27/94/33/1068279433.db2.gz GKXNHKDJTUHLOR-ZWKOTPCHSA-N 1 0 460.598 3.404 20 0 JGADRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)[NH+](C)C ZINC001303728617 1068282746 /nfs/dbraw/zinc/28/27/46/1068282746.db2.gz VDBGLDQISQATSQ-MRXNPFEDSA-N 1 0 477.629 3.101 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1)[NH+](C)C ZINC001303728775 1068283418 /nfs/dbraw/zinc/28/34/18/1068283418.db2.gz PYIXDNWZSBUXMX-LJQANCHMSA-N 1 0 462.602 3.005 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[N@H+](C)C1CC1 ZINC001303731222 1068286025 /nfs/dbraw/zinc/28/60/25/1068286025.db2.gz IUPSPCQDSLXNNJ-HYHKQLJDSA-N 1 0 452.628 3.120 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001305173690 1068286251 /nfs/dbraw/zinc/28/62/51/1068286251.db2.gz DYWFUXRAHPOEOE-SFHVURJKSA-N 1 0 462.639 3.102 20 0 JGADRO C[C@@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303731668 1068286577 /nfs/dbraw/zinc/28/65/77/1068286577.db2.gz BEGKQKFTIKILCF-FPOVZHCZSA-N 1 0 476.666 3.035 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1)[NH+](C)C ZINC001303731364 1068286719 /nfs/dbraw/zinc/28/67/19/1068286719.db2.gz LQUBWMDHCXWPMR-LJQANCHMSA-N 1 0 454.022 3.190 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305176535 1068289547 /nfs/dbraw/zinc/28/95/47/1068289547.db2.gz SLMJKJXPRIPGIV-VAMGGRTRSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[NH+](C)C ZINC001303734184 1068290010 /nfs/dbraw/zinc/29/00/10/1068290010.db2.gz DCWHWKRICFMFDD-GOSISDBHSA-N 1 0 459.038 3.463 20 0 JGADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303734668 1068291267 /nfs/dbraw/zinc/29/12/67/1068291267.db2.gz MMHGGSBUIMPCAU-VQTJNVASSA-N 1 0 472.634 3.201 20 0 JGADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303734669 1068291418 /nfs/dbraw/zinc/29/14/18/1068291418.db2.gz MMHGGSBUIMPCAU-WOJBJXKFSA-N 1 0 472.634 3.201 20 0 JGADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+](C)C ZINC001303735466 1068292466 /nfs/dbraw/zinc/29/24/66/1068292466.db2.gz ZFGTXXZGKQDZCI-HTAPYJJXSA-N 1 0 469.552 3.379 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001305178782 1068293569 /nfs/dbraw/zinc/29/35/69/1068293569.db2.gz LQZSJRQPDJNYNZ-WOJBJXKFSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCSC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001303736419 1068294550 /nfs/dbraw/zinc/29/45/50/1068294550.db2.gz LVKPIYMWLFMCEC-IBGZPJMESA-N 1 0 456.660 3.253 20 0 JGADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)[NH+](C)C ZINC001303736384 1068294625 /nfs/dbraw/zinc/29/46/25/1068294625.db2.gz LQAXDJZWWVEQRT-SFHVURJKSA-N 1 0 495.653 3.075 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC(C)(C)O1 ZINC001305179481 1068295299 /nfs/dbraw/zinc/29/52/99/1068295299.db2.gz ODSFTXWJDPZSOG-PZJWPPBQSA-N 1 0 457.619 3.165 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1)[NH+](C)C ZINC001303737831 1068296395 /nfs/dbraw/zinc/29/63/95/1068296395.db2.gz QWYHANPBBABZAN-AWEZNQCLSA-N 1 0 452.390 3.484 20 0 JGADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC001303737749 1068296502 /nfs/dbraw/zinc/29/65/02/1068296502.db2.gz SFIUHZHBWADMFS-MRXNPFEDSA-N 1 0 475.435 3.282 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCCO1 ZINC001305180367 1068296554 /nfs/dbraw/zinc/29/65/54/1068296554.db2.gz REEYTBNOICKOMJ-SFTDATJTSA-N 1 0 494.681 3.372 20 0 JGADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(Br)C1)[N@H+](C)C1CC1 ZINC001303738576 1068298176 /nfs/dbraw/zinc/29/81/76/1068298176.db2.gz YXSSOJHHEKHKQN-AWEZNQCLSA-N 1 0 479.448 3.241 20 0 JGADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1Nc1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC001303738639 1068298220 /nfs/dbraw/zinc/29/82/20/1068298220.db2.gz ZYFUVELOTUAPLD-KRWDZBQOSA-N 1 0 464.599 3.267 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+](C)C ZINC001303738748 1068298709 /nfs/dbraw/zinc/29/87/09/1068298709.db2.gz VPCYSUATMDZZNP-LSDHHAIUSA-N 1 0 469.417 3.206 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)CCS1 ZINC001305182152 1068299109 /nfs/dbraw/zinc/29/91/09/1068299109.db2.gz YANQTJIWPTWSER-RTBURBONSA-N 1 0 464.680 3.430 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@H](C)C1 ZINC001305182294 1068299457 /nfs/dbraw/zinc/29/94/57/1068299457.db2.gz YLVXXGNAWWMKHL-LJQANCHMSA-N 1 0 464.655 3.348 20 0 JGADRO C[C@H](Cn1c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739733 1068300031 /nfs/dbraw/zinc/30/00/31/1068300031.db2.gz VRELXYKLVODNBP-WIYYLYMNSA-N 1 0 456.610 3.261 20 0 JGADRO C[C@@H](Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739731 1068300343 /nfs/dbraw/zinc/30/03/43/1068300343.db2.gz VRELXYKLVODNBP-RXVVDRJESA-N 1 0 456.610 3.261 20 0 JGADRO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOCC2(CCC2)C1)[NH+](C)C ZINC001303742532 1068301336 /nfs/dbraw/zinc/30/13/36/1068301336.db2.gz AAPGHZUOAZTPLB-QRVBRYPASA-N 1 0 462.639 3.006 20 0 JGADRO C[C@@H](Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)NCc1ccc(Cl)cc1)[NH+](C)C ZINC001303743050 1068301921 /nfs/dbraw/zinc/30/19/21/1068301921.db2.gz LHMIFJFRLKZELW-SUMWQHHRSA-N 1 0 478.935 3.332 20 0 JGADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC001303743375 1068302409 /nfs/dbraw/zinc/30/24/09/1068302409.db2.gz AUICHTMLURSGNF-CTNGQTDRSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)C[C@H](C)S1 ZINC001305185449 1068303086 /nfs/dbraw/zinc/30/30/86/1068303086.db2.gz LZLZWCKRXJBRQE-HSALFYBXSA-N 1 0 494.706 3.403 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001303744296 1068304461 /nfs/dbraw/zinc/30/44/61/1068304461.db2.gz HZCQEWAQRLFIHK-WIYYLYMNSA-N 1 0 475.037 3.380 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1)[NH+](C)C ZINC001303744297 1068304545 /nfs/dbraw/zinc/30/45/45/1068304545.db2.gz IAUWLRSGTQLBSU-CEMLEFRQSA-N 1 0 474.694 3.376 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305186919 1068305656 /nfs/dbraw/zinc/30/56/56/1068305656.db2.gz SDOXMEUGMHEQFI-WOJBJXKFSA-N 1 0 492.709 3.451 20 0 JGADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1)C[NH+]1CCCC1 ZINC001303745290 1068305908 /nfs/dbraw/zinc/30/59/08/1068305908.db2.gz NBUIYZMRPBSIAU-WMZOPIPTSA-N 1 0 484.041 3.341 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303745044 1068305994 /nfs/dbraw/zinc/30/59/94/1068305994.db2.gz KUHMEUPGJYVFMO-QYZOEREBSA-N 1 0 458.573 3.324 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1)C[NH+]1CCCC1 ZINC001303745288 1068306089 /nfs/dbraw/zinc/30/60/89/1068306089.db2.gz NBUIYZMRPBSIAU-FUHWJXTLSA-N 1 0 484.041 3.341 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303746578 1068307347 /nfs/dbraw/zinc/30/73/47/1068307347.db2.gz MHSXODRCSNKMQQ-ZWKOTPCHSA-N 1 0 451.541 3.145 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303746438 1068307360 /nfs/dbraw/zinc/30/73/60/1068307360.db2.gz SXSXWDJUISGTOG-YPAWHYETSA-N 1 0 474.694 3.283 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303746576 1068307396 /nfs/dbraw/zinc/30/73/96/1068307396.db2.gz MHSXODRCSNKMQQ-QZTJIDSGSA-N 1 0 451.541 3.145 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001303746474 1068307511 /nfs/dbraw/zinc/30/75/11/1068307511.db2.gz UDMBIRZEWCBFKT-NHCUHLMSSA-N 1 0 483.661 3.441 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001305188060 1068307503 /nfs/dbraw/zinc/30/75/03/1068307503.db2.gz MKMYJDFKUDLMMG-KOSHJBKYSA-N 1 0 463.573 3.262 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)[NH+](C)C ZINC001303746717 1068307781 /nfs/dbraw/zinc/30/77/81/1068307781.db2.gz SRHOHOBTCKUCSS-KFKAGJAMSA-N 1 0 451.518 3.259 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)[NH+](C)C ZINC001303746718 1068308044 /nfs/dbraw/zinc/30/80/44/1068308044.db2.gz SRHOHOBTCKUCSS-LZQZEXGQSA-N 1 0 451.518 3.259 20 0 JGADRO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1)C[NH+]1CCCC1 ZINC001303746736 1068308083 /nfs/dbraw/zinc/30/80/83/1068308083.db2.gz VBXLTMKOWSILRQ-QZTJIDSGSA-N 1 0 484.592 3.164 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(F)(F)F)C[NH+]1CCCC1 ZINC001303746840 1068308211 /nfs/dbraw/zinc/30/82/11/1068308211.db2.gz NLSPUXHGWXPKIV-OAHLLOKOSA-N 1 0 459.538 3.079 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N(C)C[C@H]1C)C[NH+]1CCCC1 ZINC001303747426 1068308619 /nfs/dbraw/zinc/30/86/19/1068308619.db2.gz QAZSJEOOICZLSA-DLBZAZTESA-N 1 0 475.435 3.106 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N(C)C[C@H]1C)C[NH+]1CCCC1 ZINC001303747428 1068308837 /nfs/dbraw/zinc/30/88/37/1068308837.db2.gz QAZSJEOOICZLSA-IAGOWNOFSA-N 1 0 475.435 3.106 20 0 JGADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001303748167 1068309021 /nfs/dbraw/zinc/30/90/21/1068309021.db2.gz XOUFAYMTHIWFAT-HOTGVXAUSA-N 1 0 493.425 3.280 20 0 JGADRO C[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O)C[NH+]1CCCC1 ZINC001303747808 1068309136 /nfs/dbraw/zinc/30/91/36/1068309136.db2.gz UBKFVYBEBHECBN-RTBURBONSA-N 1 0 470.643 3.095 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303747807 1068309200 /nfs/dbraw/zinc/30/92/00/1068309200.db2.gz UBKFVYBEBHECBN-RBUKOAKNSA-N 1 0 470.643 3.095 20 0 JGADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001303748175 1068309298 /nfs/dbraw/zinc/30/92/98/1068309298.db2.gz XOUFAYMTHIWFAT-JKSUJKDBSA-N 1 0 493.425 3.280 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC(C)(C)O1 ZINC001305189700 1068309337 /nfs/dbraw/zinc/30/93/37/1068309337.db2.gz AARFWLFPXAOAFS-NRFANRHFSA-N 1 0 478.641 3.451 20 0 JGADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC001303750733 1068311053 /nfs/dbraw/zinc/31/10/53/1068311053.db2.gz BYTISZJLWWDANE-ZRNYENFQSA-N 1 0 462.639 3.006 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305190155 1068311403 /nfs/dbraw/zinc/31/14/03/1068311403.db2.gz CKHPLVCCYUAQSH-WMZOPIPTSA-N 1 0 452.525 3.294 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303751418 1068311818 /nfs/dbraw/zinc/31/18/18/1068311818.db2.gz JSYCHVGUURIKQS-WMZHIEFXSA-N 1 0 451.681 3.382 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCSC(C)(C)C3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303751419 1068311835 /nfs/dbraw/zinc/31/18/35/1068311835.db2.gz JSYCHVGUURIKQS-XXBNENTESA-N 1 0 451.681 3.382 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1)C[NH+]1CCCCC1 ZINC001303751643 1068312210 /nfs/dbraw/zinc/31/22/10/1068312210.db2.gz ACXZHYSORCPWRR-SFHVURJKSA-N 1 0 459.038 3.346 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001303751994 1068312678 /nfs/dbraw/zinc/31/26/78/1068312678.db2.gz CRORAWJSPUOVPX-NRFANRHFSA-N 1 0 467.662 3.081 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1)C[NH+]1CCCCC1 ZINC001303752165 1068312829 /nfs/dbraw/zinc/31/28/29/1068312829.db2.gz DGTJPFMOPNQGGP-VQTJNVASSA-N 1 0 462.639 3.309 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305191156 1068313022 /nfs/dbraw/zinc/31/30/22/1068313022.db2.gz HKVRIHPOPWDJNC-HKUYNNGSSA-N 1 0 452.525 3.296 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305191529 1068313881 /nfs/dbraw/zinc/31/38/81/1068313881.db2.gz USIKNJOFUGKUPT-OALUTQOASA-N 1 0 462.038 3.371 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001303752794 1068314414 /nfs/dbraw/zinc/31/44/14/1068314414.db2.gz QLCDZGXQHVZOCV-RTBURBONSA-N 1 0 467.584 3.478 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)CC3CCOCC3)n2C[C@@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303753206 1068314799 /nfs/dbraw/zinc/31/47/99/1068314799.db2.gz LYBJXVFQCBFLLM-SQJMNOBHSA-N 1 0 463.667 3.304 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCn1cccn1)C[NH+]1CCOCC1 ZINC001303753882 1068316419 /nfs/dbraw/zinc/31/64/19/1068316419.db2.gz FIPTWCOFZYSTRL-SFHVURJKSA-N 1 0 488.434 3.009 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N(C)C)CC1)C[NH+]1CCCCC1 ZINC001303754137 1068316855 /nfs/dbraw/zinc/31/68/55/1068316855.db2.gz QDDBQXRIPJQBPC-NRFANRHFSA-N 1 0 467.662 3.081 20 0 JGADRO C[C@@H](Cn1c(N2CCN(c3ccc(C(N)=O)cc3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001303754197 1068316862 /nfs/dbraw/zinc/31/68/62/1068316862.db2.gz QSCZWCHLBJBXLA-HXUWFJFHSA-N 1 0 467.662 3.123 20 0 JGADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N(C)Cc1ccon1)C[NH+]1CCOCC1 ZINC001303754233 1068316870 /nfs/dbraw/zinc/31/68/70/1068316870.db2.gz 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C[C@@H]([NH2+]C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1)c1ccccc1 ZINC001303797794 1068388352 /nfs/dbraw/zinc/38/83/52/1068388352.db2.gz NRNKRGZSXYFMQW-SJORKVTESA-N 1 0 484.617 3.253 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnccn1)c1ccccc1 ZINC001303798081 1068389545 /nfs/dbraw/zinc/38/95/45/1068389545.db2.gz OKIKYZZFBIVRLJ-IBGZPJMESA-N 1 0 485.596 3.481 20 0 JGADRO CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC001303798377 1068389841 /nfs/dbraw/zinc/38/98/41/1068389841.db2.gz ANSBBSWFXNOYBP-GVAOLFSASA-N 1 0 451.567 3.137 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCCC[NH+]2CCOCC2)C1 ZINC001303798810 1068391218 /nfs/dbraw/zinc/39/12/18/1068391218.db2.gz SJUXPXGVYQGBDJ-NHCUHLMSSA-N 1 0 499.660 3.192 20 0 JGADRO C[C@@H]1CSCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001305242728 1068393835 /nfs/dbraw/zinc/39/38/35/1068393835.db2.gz YXFGGFYTDYZBDZ-AQNXPRMDSA-N 1 0 494.706 3.103 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001303800489 1068395256 /nfs/dbraw/zinc/39/52/56/1068395256.db2.gz YUQYWJJZGQLQFU-OALUTQOASA-N 1 0 472.638 3.205 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001303800528 1068395436 /nfs/dbraw/zinc/39/54/36/1068395436.db2.gz YZXDJFZGZVBDNG-MSOLQXFVSA-N 1 0 474.654 3.006 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001303800881 1068395855 /nfs/dbraw/zinc/39/58/55/1068395855.db2.gz YXGYRSTXKXZAIN-FPOVZHCZSA-N 1 0 497.669 3.268 20 0 JGADRO C[C@@H]1N(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCOC1(C)C ZINC001305243701 1068396216 /nfs/dbraw/zinc/39/62/16/1068396216.db2.gz OTVXNKOUCRILAK-PKOBYXMFSA-N 1 0 474.675 3.394 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CC=CCC2)C1 ZINC001303801281 1068396830 /nfs/dbraw/zinc/39/68/30/1068396830.db2.gz VIOJSEOTOUWPAX-PMACEKPBSA-N 1 0 482.633 3.127 20 0 JGADRO C[C@H]1N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(F)(F)F)CCOC1(C)C ZINC001305245106 1068397882 /nfs/dbraw/zinc/39/78/82/1068397882.db2.gz ZJIACQGAWSPRAK-GOSISDBHSA-N 1 0 466.552 3.209 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303803392 1068402547 /nfs/dbraw/zinc/40/25/47/1068402547.db2.gz MYPVZNZXEALOQA-QZTJIDSGSA-N 1 0 480.654 3.489 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001303805240 1068408067 /nfs/dbraw/zinc/40/80/67/1068408067.db2.gz YFCLCBJXDYWNGY-RYQLBKOJSA-N 1 0 480.535 3.126 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001303805514 1068408847 /nfs/dbraw/zinc/40/88/47/1068408847.db2.gz ZCPJTVSPXZSLNO-JENIJYKNSA-N 1 0 476.672 3.450 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1CC1(C)C ZINC001303805608 1068409479 /nfs/dbraw/zinc/40/94/79/1068409479.db2.gz GCYXQZPHHAUILW-JBACZVJFSA-N 1 0 474.675 3.035 20 0 JGADRO CC(C)n1nc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001305254432 1068415292 /nfs/dbraw/zinc/41/52/92/1068415292.db2.gz HNNGTSHZUPYLFR-OALUTQOASA-N 1 0 499.685 3.144 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H]1CC1(C)C ZINC001303808844 1068415539 /nfs/dbraw/zinc/41/55/39/1068415539.db2.gz SWTHYYVLPMEGPU-QUCCMNQESA-N 1 0 474.675 3.035 20 0 JGADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1Cl)[NH+]1CCCCC1 ZINC001303809231 1068416147 /nfs/dbraw/zinc/41/61/47/1068416147.db2.gz HEIAVMBPKRKMDK-MSOLQXFVSA-N 1 0 483.082 3.443 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001303811490 1068420496 /nfs/dbraw/zinc/42/04/96/1068420496.db2.gz XILHCPZTCKCPBK-NVXWUHKLSA-N 1 0 499.056 3.334 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303812266 1068422440 /nfs/dbraw/zinc/42/24/40/1068422440.db2.gz WGZBVHDJDHNVQH-UWJYYQICSA-N 1 0 480.654 3.174 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCC[NH+]1CCOCC1 ZINC001305258028 1068422468 /nfs/dbraw/zinc/42/24/68/1068422468.db2.gz SMCHCURKKCDJFO-SJORKVTESA-N 1 0 451.040 3.436 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303812505 1068423101 /nfs/dbraw/zinc/42/31/01/1068423101.db2.gz ZGKQIRWPRKCKLS-KKSFZXQISA-N 1 0 498.644 3.313 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001305261008 1068428052 /nfs/dbraw/zinc/42/80/52/1068428052.db2.gz CFQIXRDQEDWVLU-YADHBBJMSA-N 1 0 453.635 3.346 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001303816430 1068429711 /nfs/dbraw/zinc/42/97/11/1068429711.db2.gz NSSFSQIVGIKBFY-GOSISDBHSA-N 1 0 454.685 3.169 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001305262572 1068434684 /nfs/dbraw/zinc/43/46/84/1068434684.db2.gz CNISPMCZIBSSFH-DEOSSOPVSA-N 1 0 496.700 3.184 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001305264986 1068444232 /nfs/dbraw/zinc/44/42/32/1068444232.db2.gz JOZQSJNDFLJSEG-RLLQIKCJSA-N 1 0 460.648 3.032 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCCC[NH+]1CCCC1 ZINC001303827767 1068447015 /nfs/dbraw/zinc/44/70/15/1068447015.db2.gz JOXHCPAILDKEAH-OALUTQOASA-N 1 0 454.685 3.027 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCCC[NH+]1CCCC1 ZINC001303827770 1068447594 /nfs/dbraw/zinc/44/75/94/1068447594.db2.gz JOXHCPAILDKEAH-RBUKOAKNSA-N 1 0 454.685 3.027 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303828490 1068449683 /nfs/dbraw/zinc/44/96/83/1068449683.db2.gz AUQFUWPRCGLZJE-PZJWPPBQSA-N 1 0 474.675 3.147 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303830947 1068455378 /nfs/dbraw/zinc/45/53/78/1068455378.db2.gz MRXJGYQHEMUZGM-AZUAARDMSA-N 1 0 492.665 3.143 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305269931 1068462171 /nfs/dbraw/zinc/46/21/71/1068462171.db2.gz UYIZIHZKMHGZHF-YADHBBJMSA-N 1 0 489.064 3.450 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCC1(F)CCC1 ZINC001303835434 1068464629 /nfs/dbraw/zinc/46/46/29/1068464629.db2.gz AHANQWOXNMVSDY-IBGZPJMESA-N 1 0 484.686 3.263 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H]1CCCSC1 ZINC001303836209 1068465232 /nfs/dbraw/zinc/46/52/32/1068465232.db2.gz JTKNLCLKEPNFAY-PZJWPPBQSA-N 1 0 498.763 3.124 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1)C(C)C ZINC001303843100 1068472826 /nfs/dbraw/zinc/47/28/26/1068472826.db2.gz GXHYORCPVWSUOK-QGZVFWFLSA-N 1 0 483.082 3.223 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303843444 1068474151 /nfs/dbraw/zinc/47/41/51/1068474151.db2.gz XUFBCXWVNOKCON-LJQANCHMSA-N 1 0 466.696 3.171 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1)C(C)C ZINC001303844069 1068475250 /nfs/dbraw/zinc/47/52/50/1068475250.db2.gz OOPQLYWUJMFXML-KRWDZBQOSA-N 1 0 483.082 3.223 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001303843997 1068475334 /nfs/dbraw/zinc/47/53/34/1068475334.db2.gz CRFLZQGJPWKKBZ-YSIASYRMSA-N 1 0 496.628 3.207 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001305273483 1068475388 /nfs/dbraw/zinc/47/53/88/1068475388.db2.gz YLJLEGAUOCEZLP-QUCCMNQESA-N 1 0 475.037 3.347 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305276469 1068478202 /nfs/dbraw/zinc/47/82/02/1068478202.db2.gz IIWPYMXMTFSONX-NNXSRULWSA-N 1 0 474.694 3.424 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303845276 1068478806 /nfs/dbraw/zinc/47/88/06/1068478806.db2.gz MBGMHFSRGSQIGD-HXUWFJFHSA-N 1 0 486.686 3.447 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001305278552 1068480145 /nfs/dbraw/zinc/48/01/45/1068480145.db2.gz OHWZULCMLNXGKT-YTFSRNRJSA-N 1 0 468.646 3.490 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001305280838 1068483383 /nfs/dbraw/zinc/48/33/83/1068483383.db2.gz ZNLJZKISKFVBFL-ADYITMSISA-N 1 0 474.694 3.424 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001305280842 1068484119 /nfs/dbraw/zinc/48/41/19/1068484119.db2.gz ZNLJZKISKFVBFL-NNXSRULWSA-N 1 0 474.694 3.424 20 0 JGADRO CC(C)[C@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001303851112 1068487830 /nfs/dbraw/zinc/48/78/30/1068487830.db2.gz BSFYMUQWDPBVJT-ZCNNSNEGSA-N 1 0 478.663 3.333 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001303851392 1068489000 /nfs/dbraw/zinc/48/90/00/1068489000.db2.gz FPPJDSUGAIFVBF-DBVUQKKJSA-N 1 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494.731 3.426 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC1CCC(F)(F)CC1 ZINC001303858090 1068498807 /nfs/dbraw/zinc/49/88/07/1068498807.db2.gz PHXFVCTYXLCLCX-KRWDZBQOSA-N 1 0 488.649 3.169 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001303858990 1068499965 /nfs/dbraw/zinc/49/99/65/1068499965.db2.gz ZFVYMCRJAPYKLX-ZJRDLVKKSA-N 1 0 466.696 3.340 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001303861046 1068500467 /nfs/dbraw/zinc/50/04/67/1068500467.db2.gz DIDFRPXCKUNLRV-INIZCTEOSA-N 1 0 499.056 3.184 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCC(C)(C)C ZINC001303863404 1068501578 /nfs/dbraw/zinc/50/15/78/1068501578.db2.gz RMRPMIDHAVZLNW-GOSISDBHSA-N 1 0 454.685 3.169 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305295459 1068502324 /nfs/dbraw/zinc/50/23/24/1068502324.db2.gz QOIJNKXAYXGGKG-QRWLVFNGSA-N 1 0 484.464 3.231 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1coc2ccccc12 ZINC001303865947 1068502909 /nfs/dbraw/zinc/50/29/09/1068502909.db2.gz WNDNQKLPTOZVDZ-GOSISDBHSA-N 1 0 488.658 3.241 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CCC[NH+]1CCCCC1 ZINC001303874900 1068509348 /nfs/dbraw/zinc/50/93/48/1068509348.db2.gz FWWICKVWKVLYOI-IBGZPJMESA-N 1 0 484.736 3.020 20 0 JGADRO C[C@@](O)(C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1)C(F)(F)F ZINC001303875926 1068510766 /nfs/dbraw/zinc/51/07/66/1068510766.db2.gz DNFPHIWHSWNKTP-FDDCHVKYSA-N 1 0 499.553 3.461 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001305303511 1068512270 /nfs/dbraw/zinc/51/22/70/1068512270.db2.gz YCZGFJGMJAIDRH-NIYFSFCBSA-N 1 0 487.645 3.444 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001305303647 1068512884 /nfs/dbraw/zinc/51/28/84/1068512884.db2.gz ZNEORHFHDVEODD-MZNJEOGPSA-N 1 0 479.572 3.397 20 0 JGADRO C[C@](O)(C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303878648 1068513522 /nfs/dbraw/zinc/51/35/22/1068513522.db2.gz FBXSFMRALRYBNG-AVRDEDQJSA-N 1 0 486.583 3.025 20 0 JGADRO C[C@@H](O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001303889880 1068528112 /nfs/dbraw/zinc/52/81/12/1068528112.db2.gz INTRJAQPONVQLA-HXUWFJFHSA-N 1 0 468.646 3.174 20 0 JGADRO CC[C@@H](C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305316863 1068531721 /nfs/dbraw/zinc/53/17/21/1068531721.db2.gz XXBUYRFWGGLFTK-CLOONOSVSA-N 1 0 471.650 3.281 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCCC1 ZINC001303894215 1068531950 /nfs/dbraw/zinc/53/19/50/1068531950.db2.gz ZMDZRVAHUKYDNL-ICSRJNTNSA-N 1 0 479.622 3.057 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCCC1 ZINC001303894216 1068532214 /nfs/dbraw/zinc/53/22/14/1068532214.db2.gz ZMDZRVAHUKYDNL-QUCCMNQESA-N 1 0 479.622 3.057 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001303895791 1068534014 /nfs/dbraw/zinc/53/40/14/1068534014.db2.gz RTDYYCYOPIYVDU-ROUUACIJSA-N 1 0 458.582 3.133 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCSCCCO ZINC001303895840 1068534406 /nfs/dbraw/zinc/53/44/06/1068534406.db2.gz SRJHGPHIWPUCEC-WSTZPKSXSA-N 1 0 463.623 3.346 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)CC1 ZINC001303896084 1068534799 /nfs/dbraw/zinc/53/47/99/1068534799.db2.gz WZNBMGCPVCNAHM-SFHVURJKSA-N 1 0 470.597 3.291 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(=O)NCC(F)F ZINC001303896679 1068536273 /nfs/dbraw/zinc/53/62/73/1068536273.db2.gz BECCBNOYQOYTNP-INIZCTEOSA-N 1 0 482.551 3.249 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC(C)(F)F ZINC001303897910 1068539342 /nfs/dbraw/zinc/53/93/42/1068539342.db2.gz MYODBODTSSLIJE-YLJYHZDGSA-N 1 0 494.562 3.345 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001303898299 1068539928 /nfs/dbraw/zinc/53/99/28/1068539928.db2.gz NMGLQEIBWDWRED-GCJKJVERSA-N 1 0 493.649 3.445 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCO[C@H]2CCOC2)CC1 ZINC001303898725 1068540642 /nfs/dbraw/zinc/54/06/42/1068540642.db2.gz RFQYNJAMZVJQCV-KNQAVFIVSA-N 1 0 461.582 3.283 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305321909 1068540609 /nfs/dbraw/zinc/54/06/09/1068540609.db2.gz JEZMRWQTQFGHJO-FNZWTVRRSA-N 1 0 495.676 3.276 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001305322530 1068541639 /nfs/dbraw/zinc/54/16/39/1068541639.db2.gz OWNCNUQYUIGMHV-BFFCPOFVSA-N 1 0 486.661 3.023 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303900534 1068543936 /nfs/dbraw/zinc/54/39/36/1068543936.db2.gz YWGSMYQVZOEDRG-ABSDTBQOSA-N 1 0 470.549 3.155 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCNC(=O)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001303901430 1068544751 /nfs/dbraw/zinc/54/47/51/1068544751.db2.gz JVYPAWWDSBHSJR-OXJNMPFZSA-N 1 0 472.590 3.248 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001303902134 1068545533 /nfs/dbraw/zinc/54/55/33/1068545533.db2.gz LZNLGFILOLIKGX-NZQKXSOJSA-N 1 0 474.625 3.198 20 0 JGADRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001305325839 1068547569 /nfs/dbraw/zinc/54/75/69/1068547569.db2.gz KHRUBXLFBAHGTH-AMGIVPHBSA-N 1 0 477.657 3.396 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001303904062 1068547927 /nfs/dbraw/zinc/54/79/27/1068547927.db2.gz VNMWOSKINIWBIO-CVDCTZTESA-N 1 0 475.609 3.265 20 0 JGADRO CC(C)[C@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001303904060 1068547986 /nfs/dbraw/zinc/54/79/86/1068547986.db2.gz VNMWOSKINIWBIO-AUSIDOKSSA-N 1 0 475.609 3.265 20 0 JGADRO CC(C)[C@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001303904064 1068548114 /nfs/dbraw/zinc/54/81/14/1068548114.db2.gz VNMWOSKINIWBIO-WMZHIEFXSA-N 1 0 475.609 3.265 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001305326794 1068549360 /nfs/dbraw/zinc/54/93/60/1068549360.db2.gz ZKIPLALKVCNNIP-PLGVSFSBSA-N 1 0 457.619 3.432 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(Nc2ccn(C)n2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303905724 1068550948 /nfs/dbraw/zinc/55/09/48/1068550948.db2.gz VDYISISLHRYUJQ-GOSISDBHSA-N 1 0 470.597 3.308 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C[C@@H]2CCCOC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303907164 1068553686 /nfs/dbraw/zinc/55/36/86/1068553686.db2.gz RJIZOYJFRPCCTJ-BSRJHKFKSA-N 1 0 464.010 3.001 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cscn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303907575 1068554927 /nfs/dbraw/zinc/55/49/27/1068554927.db2.gz WNENZOZECMZLIQ-YCRPNKLZSA-N 1 0 463.007 3.231 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001305330019 1068555400 /nfs/dbraw/zinc/55/54/00/1068555400.db2.gz UHYVGNJBDFCKSI-CPJSRVTESA-N 1 0 451.619 3.188 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCCS(C)(=O)=O ZINC001303908944 1068555822 /nfs/dbraw/zinc/55/58/22/1068555822.db2.gz HCGWZIYTRCNHAU-AOIWGVFYSA-N 1 0 482.050 3.179 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001303909608 1068556728 /nfs/dbraw/zinc/55/67/28/1068556728.db2.gz KDUHEYLZXBUFSL-KRWDZBQOSA-N 1 0 486.020 3.068 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC(=O)N(C)C ZINC001303910013 1068557835 /nfs/dbraw/zinc/55/78/35/1068557835.db2.gz LLSPZZGLGPKLKL-LNLFQRSKSA-N 1 0 461.010 3.223 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2COCCO2)CC1 ZINC001303913527 1068562551 /nfs/dbraw/zinc/56/25/51/1068562551.db2.gz VBWFJSJGLNJDRG-RXVVDRJESA-N 1 0 464.010 3.407 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001305333536 1068563235 /nfs/dbraw/zinc/56/32/35/1068563235.db2.gz JFEMFXOTGKLYRD-OBTVHEKISA-N 1 0 484.689 3.179 20 0 JGADRO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303914465 1068564896 /nfs/dbraw/zinc/56/48/96/1068564896.db2.gz YPDJXWGLZPZPQB-FUHIMQAGSA-N 1 0 484.066 3.425 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303915407 1068566579 /nfs/dbraw/zinc/56/65/79/1068566579.db2.gz PAXIOZPLOSTWDT-NRVIRDBHSA-N 1 0 466.051 3.468 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001305335852 1068567299 /nfs/dbraw/zinc/56/72/99/1068567299.db2.gz MSNUXIDNNJJZNV-CYFREDJKSA-N 1 0 471.675 3.173 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303916190 1068567642 /nfs/dbraw/zinc/56/76/42/1068567642.db2.gz DJZOJOQSLSSWLF-ICSRJNTNSA-N 1 0 493.649 3.445 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001303916353 1068568267 /nfs/dbraw/zinc/56/82/67/1068568267.db2.gz GSQNOXRQNZBTGJ-RBUKOAKNSA-N 1 0 493.649 3.445 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001305337578 1068570374 /nfs/dbraw/zinc/57/03/74/1068570374.db2.gz WUTCYONCMMFKOG-XXAUWVGASA-N 1 0 482.673 3.298 20 0 JGADRO CC[C@H](C)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001305338723 1068572648 /nfs/dbraw/zinc/57/26/48/1068572648.db2.gz FUYOPDPGXQCYKX-BHDDXSALSA-N 1 0 462.683 3.426 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001303922470 1068573786 /nfs/dbraw/zinc/57/37/86/1068573786.db2.gz KTAYUNPYQOOAQT-MOPGFXCFSA-N 1 0 461.582 3.141 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303923218 1068575854 /nfs/dbraw/zinc/57/58/54/1068575854.db2.gz NHJRVBNKGBWYSP-SXLOBPIMSA-N 1 0 472.609 3.392 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3.461 20 0 JGADRO CC[C@@H](c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1C[C@@H](F)COC)c1ccccc1 ZINC001305668206 1069011429 /nfs/dbraw/zinc/01/14/29/1069011429.db2.gz UOHSOLQEQBVNPW-XPWALMASSA-N 1 0 458.626 3.021 20 0 JGADRO CC[C@H](c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](F)COC)c1ccccc1 ZINC001305672355 1069020267 /nfs/dbraw/zinc/02/02/67/1069020267.db2.gz USTCKRFAEJMZQH-PKTZIBPZSA-N 1 0 469.609 3.250 20 0 JGADRO CC[C@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001305673136 1069022824 /nfs/dbraw/zinc/02/28/24/1069022824.db2.gz QEYAOTNLZNRKMS-XZOQPEGZSA-N 1 0 482.673 3.235 20 0 JGADRO CC[C@@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC001305673131 1069022938 /nfs/dbraw/zinc/02/29/38/1069022938.db2.gz QEYAOTNLZNRKMS-DHIUTWEWSA-N 1 0 482.673 3.235 20 0 JGADRO CC[C@@H](c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001305673428 1069023317 /nfs/dbraw/zinc/02/33/17/1069023317.db2.gz RZUKYGLTLRUKFN-FGZHOGPDSA-N 1 0 459.660 3.319 20 0 JGADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001305673230 1069023425 /nfs/dbraw/zinc/02/34/25/1069023425.db2.gz YGAAQZXXWQZQGE-RBBKRZOGSA-N 1 0 459.660 3.175 20 0 JGADRO CC[C@@H](c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001305673827 1069024419 /nfs/dbraw/zinc/02/44/19/1069024419.db2.gz FZGLDAOSGKWNHA-LJQANCHMSA-N 1 0 464.536 3.173 20 0 JGADRO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001305676611 1069031262 /nfs/dbraw/zinc/03/12/62/1069031262.db2.gz HKMLLUHKNCNASY-SJLPKXTDSA-N 1 0 452.525 3.029 20 0 JGADRO CC[C@@H](c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001305677266 1069032560 /nfs/dbraw/zinc/03/25/60/1069032560.db2.gz XGZSDUQQNZISMG-HSZRJFAPSA-N 1 0 482.673 3.426 20 0 JGADRO CC[C@H](c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001305677269 1069033138 /nfs/dbraw/zinc/03/31/38/1069033138.db2.gz XGZSDUQQNZISMG-QHCPKHFHSA-N 1 0 482.673 3.426 20 0 JGADRO CC[C@@H](c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001305678638 1069035705 /nfs/dbraw/zinc/03/57/05/1069035705.db2.gz UBWBOUZHHICXCZ-HSZRJFAPSA-N 1 0 482.673 3.141 20 0 JGADRO CC[C@H](c1nnc(Nc2ccn(C)n2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681855 1069040245 /nfs/dbraw/zinc/04/02/45/1069040245.db2.gz DRGWDSCZUNUARZ-LEWJYISDSA-N 1 0 464.618 3.240 20 0 JGADRO CC[C@@H](c1nnc(Nc2ccn(C)n2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681856 1069040390 /nfs/dbraw/zinc/04/03/90/1069040390.db2.gz DRGWDSCZUNUARZ-NHCUHLMSSA-N 1 0 464.618 3.240 20 0 JGADRO CC[C@@H](c1nnc(N2CCO[C@@H](COC)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001305683545 1069043182 /nfs/dbraw/zinc/04/31/82/1069043182.db2.gz QAIHYXDGQBKQPD-QPTUXGOLSA-N 1 0 471.646 3.173 20 0 JGADRO CC[C@@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001305683778 1069044047 /nfs/dbraw/zinc/04/40/47/1069044047.db2.gz HROKPCUIVCLDMZ-YUMYIRISSA-N 1 0 481.597 3.076 20 0 JGADRO CC[C@H](c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC001305684329 1069044597 /nfs/dbraw/zinc/04/45/97/1069044597.db2.gz TUTYOZSXXQPYDF-RPBOFIJWSA-N 1 0 482.673 3.283 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCC(NC(=O)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC001305702574 1069084590 /nfs/dbraw/zinc/08/45/90/1069084590.db2.gz CGGAUCMVOLGGBY-XMMPIXPASA-N 1 0 468.646 3.122 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C ZINC001305703850 1069087799 /nfs/dbraw/zinc/08/77/99/1069087799.db2.gz BSCOMGJUIFCXBH-FCHUYYIVSA-N 1 0 474.625 3.500 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305703737 1069087821 /nfs/dbraw/zinc/08/78/21/1069087821.db2.gz AAXOZAONIGTDLX-FFZOFVMBSA-N 1 0 497.566 3.028 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(=O)NC)C1)[NH+](C)C ZINC001305703772 1069087883 /nfs/dbraw/zinc/08/78/83/1069087883.db2.gz AJFWXSNBDWISHK-URXFXBBRSA-N 1 0 492.672 3.460 20 0 JGADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC001305704484 1069090486 /nfs/dbraw/zinc/09/04/86/1069090486.db2.gz LWCJDLWMYKCYEV-PKTZIBPZSA-N 1 0 487.624 3.263 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC001305704482 1069090566 /nfs/dbraw/zinc/09/05/66/1069090566.db2.gz LWCJDLWMYKCYEV-DHIUTWEWSA-N 1 0 487.624 3.263 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+]1CCOCC1 ZINC001305704971 1069092046 /nfs/dbraw/zinc/09/20/46/1069092046.db2.gz HIPHXEUXGNSMFY-OPYAIIAOSA-N 1 0 461.680 3.146 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305704970 1069092088 /nfs/dbraw/zinc/09/20/88/1069092088.db2.gz HIPHXEUXGNSMFY-LVCYWYKZSA-N 1 0 461.680 3.146 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001305704977 1069092123 /nfs/dbraw/zinc/09/21/23/1069092123.db2.gz HJADPBSHHWHJQS-FGZHOGPDSA-N 1 0 453.635 3.298 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(N2CCCC2=O)CC1)[NH+](C)C ZINC001305705740 1069093452 /nfs/dbraw/zinc/09/34/52/1069093452.db2.gz JQOIZEDFSUSQSQ-JOCHJYFZSA-N 1 0 455.651 3.241 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1)[NH+](C)C ZINC001305707062 1069096511 /nfs/dbraw/zinc/09/65/11/1069096511.db2.gz PUHFIGMRVQLPJY-ATIYNZHBSA-N 1 0 470.662 3.189 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)[NH+](C)C ZINC001305706890 1069096888 /nfs/dbraw/zinc/09/68/88/1069096888.db2.gz CXNDZISPYOCGKL-WZONZLPQSA-N 1 0 476.025 3.391 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001305707151 1069097470 /nfs/dbraw/zinc/09/74/70/1069097470.db2.gz QLJFGJRHUBXDBX-UXHICEINSA-N 1 0 466.671 3.498 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)[NH+](C)C ZINC001305707269 1069097844 /nfs/dbraw/zinc/09/78/44/1069097844.db2.gz DFWFPEFRZLJIIS-TYPHKJRUSA-N 1 0 454.619 3.035 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)C)C1)[NH+](C)C ZINC001305707250 1069098024 /nfs/dbraw/zinc/09/80/24/1069098024.db2.gz RLRUMQLJPPYKKV-VQTJNVASSA-N 1 0 457.623 3.153 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305707167 1069098038 /nfs/dbraw/zinc/09/80/38/1069098038.db2.gz QCWDBPXQHLTUBR-QUCCMNQESA-N 1 0 450.653 3.043 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@](C)(CC)C1)[NH+](C)C ZINC001305707424 1069098560 /nfs/dbraw/zinc/09/85/60/1069098560.db2.gz FICOJKGNORRNTE-RDGATRHJSA-N 1 0 481.649 3.293 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001305707772 1069098581 /nfs/dbraw/zinc/09/85/81/1069098581.db2.gz GEAKQDSJTIRIQD-BWKNWUBXSA-N 1 0 489.686 3.335 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001305707740 1069099012 /nfs/dbraw/zinc/09/90/12/1069099012.db2.gz SXHNTMSJMWVPKD-NTKDMRAZSA-N 1 0 450.672 3.424 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001305707625 1069099026 /nfs/dbraw/zinc/09/90/26/1069099026.db2.gz ZZTYHVXXJHGUMQ-MAUKXSAKSA-N 1 0 480.455 3.104 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(Cl)nc2C1)[NH+](C)C ZINC001305708365 1069100450 /nfs/dbraw/zinc/10/04/50/1069100450.db2.gz WIYSKSMPVVXIEN-LJQANCHMSA-N 1 0 462.042 3.394 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001305708437 1069100519 /nfs/dbraw/zinc/10/05/19/1069100519.db2.gz VTLYWVAQWULDFR-HSZRJFAPSA-N 1 0 496.635 3.147 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C)[NH+]1CCOCC1 ZINC001305709124 1069102762 /nfs/dbraw/zinc/10/27/62/1069102762.db2.gz ACBXPRRZIDPTMK-GOTSBHOMSA-N 1 0 468.646 3.311 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)C1)[NH+](C)C ZINC001305709447 1069104714 /nfs/dbraw/zinc/10/47/14/1069104714.db2.gz PUGHESJYZCSCCD-LJQANCHMSA-N 1 0 477.451 3.352 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001305709766 1069105447 /nfs/dbraw/zinc/10/54/47/1069105447.db2.gz ROLDMGZBKFFKIT-AUSIDOKSSA-N 1 0 487.645 3.324 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccs1)[NH+]1CCOCC1 ZINC001305709865 1069106066 /nfs/dbraw/zinc/10/60/66/1069106066.db2.gz GYRIFEXIAJJIKQ-WOJBJXKFSA-N 1 0 460.648 3.064 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305709963 1069106653 /nfs/dbraw/zinc/10/66/53/1069106653.db2.gz CJLVNTFOKBYJFP-XMMPIXPASA-N 1 0 481.689 3.469 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnccn2)CC1)[NH+](C)C ZINC001305709927 1069106728 /nfs/dbraw/zinc/10/67/28/1069106728.db2.gz CCSBGLYBZKYJBT-OAQYLSRUSA-N 1 0 483.690 3.117 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)(C(=O)NC)C1)[NH+](C)C ZINC001305710660 1069107818 /nfs/dbraw/zinc/10/78/18/1069107818.db2.gz WULCUNFVFYVNHH-FDDCHVKYSA-N 1 0 462.042 3.322 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NC)CC1)[NH+](C)C ZINC001305710616 1069107836 /nfs/dbraw/zinc/10/78/36/1069107836.db2.gz WEHVPSLBUWLCQU-IBGZPJMESA-N 1 0 462.042 3.322 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305710931 1069108323 /nfs/dbraw/zinc/10/83/23/1069108323.db2.gz JHQMSWHMKFETJT-AMZDPNTKSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)(C(=O)NC)C1)[NH+](C)C ZINC001305710661 1069108397 /nfs/dbraw/zinc/10/83/97/1069108397.db2.gz WULCUNFVFYVNHH-JPYJTQIMSA-N 1 0 462.042 3.322 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001305710891 1069108918 /nfs/dbraw/zinc/10/89/18/1069108918.db2.gz XJKMKXCTKAOQSX-XZOQPEGZSA-N 1 0 495.672 3.387 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1)[NH+](C)C ZINC001305711524 1069110096 /nfs/dbraw/zinc/11/00/96/1069110096.db2.gz OCZONSPJSNDSJT-LGGPRVQUSA-N 1 0 460.667 3.239 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1)[NH+](C)C ZINC001305711525 1069110108 /nfs/dbraw/zinc/11/01/08/1069110108.db2.gz OCZONSPJSNDSJT-MXNKGDRCSA-N 1 0 460.667 3.239 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001305711193 1069110125 /nfs/dbraw/zinc/11/01/25/1069110125.db2.gz MQCJWFMJMIKUCK-UXHICEINSA-N 1 0 460.648 3.064 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cncn2)C1)[NH+](C)C ZINC001305711717 1069110982 /nfs/dbraw/zinc/11/09/82/1069110982.db2.gz NZRJHZCGVMIIPG-FGZHOGPDSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+](C)C ZINC001305711729 1069111548 /nfs/dbraw/zinc/11/15/48/1069111548.db2.gz CNIYIKJEPIIFNP-PTUXOGIPSA-N 1 0 484.693 3.026 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001305712037 1069111559 /nfs/dbraw/zinc/11/15/59/1069111559.db2.gz PAWWWYHKIIHJGT-YTFSRNRJSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1)[NH+](C)C ZINC001305711925 1069111580 /nfs/dbraw/zinc/11/15/80/1069111580.db2.gz ODSXGLSSHRRNLQ-HXUWFJFHSA-N 1 0 468.067 3.124 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C)CC1)[NH+](C)C ZINC001305712593 1069112999 /nfs/dbraw/zinc/11/29/99/1069112999.db2.gz UHMMTCZNNABDLD-GGAORHGYSA-N 1 0 467.662 3.231 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C ZINC001305713283 1069114624 /nfs/dbraw/zinc/11/46/24/1069114624.db2.gz FNOWAMLPSKXWAU-XZOQPEGZSA-N 1 0 486.636 3.484 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)[NH+](C)C ZINC001305713259 1069114641 /nfs/dbraw/zinc/11/46/41/1069114641.db2.gz FEKZWGYLIFQBRX-WKHGPKRUSA-N 1 0 474.694 3.278 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1)[NH+](C)C ZINC001305713256 1069114665 /nfs/dbraw/zinc/11/46/65/1069114665.db2.gz FEKZWGYLIFQBRX-DXGJXXFVSA-N 1 0 474.694 3.278 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)[NH+](C)C ZINC001305713257 1069114692 /nfs/dbraw/zinc/11/46/92/1069114692.db2.gz FEKZWGYLIFQBRX-OZOVBHBASA-N 1 0 474.694 3.278 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1)[NH+](C)C ZINC001305713546 1069115959 /nfs/dbraw/zinc/11/59/59/1069115959.db2.gz JMGAGZUELYVKTJ-VXKWHMMOSA-N 1 0 492.690 3.054 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@@H](C)C1)[NH+](C)C ZINC001305713573 1069115974 /nfs/dbraw/zinc/11/59/74/1069115974.db2.gz YMWKVBZYRLANIK-WMQCIHAUSA-N 1 0 454.619 3.383 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001305713499 1069116011 /nfs/dbraw/zinc/11/60/11/1069116011.db2.gz JFTQKHDQJRWGTK-UFYCRDLUSA-N 1 0 475.638 3.233 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@@H](C)C1)[NH+](C)C ZINC001305713574 1069116466 /nfs/dbraw/zinc/11/64/66/1069116466.db2.gz YMWKVBZYRLANIK-YYWHXJBOSA-N 1 0 454.619 3.383 20 0 JGADRO CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001305714002 1069117030 /nfs/dbraw/zinc/11/70/30/1069117030.db2.gz IFLDDVNCMVIYCX-HXUWFJFHSA-N 1 0 463.026 3.203 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(C)=O)CC1)[NH+](C)C ZINC001305714401 1069117166 /nfs/dbraw/zinc/11/71/66/1069117166.db2.gz XMDQQPMNIYBIAK-HSZRJFAPSA-N 1 0 458.626 3.433 20 0 JGADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305714186 1069117188 /nfs/dbraw/zinc/11/71/88/1069117188.db2.gz ZKEOWINDPFXQLO-DEOSSOPVSA-N 1 0 487.737 3.437 20 0 JGADRO CCC(CC)c1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC([NH+](CC)CC)CC2)on1 ZINC001305714391 1069117792 /nfs/dbraw/zinc/11/77/92/1069117792.db2.gz DGPZNJXWEFGUGR-HXUWFJFHSA-N 1 0 457.623 3.480 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001305714984 1069118829 /nfs/dbraw/zinc/11/88/29/1069118829.db2.gz LSTSPAAZXKCEAF-BVSLBCMMSA-N 1 0 463.667 3.313 20 0 JGADRO CCC(CC)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC2(COC(=O)N2)CC1)[NH+](C)C ZINC001305715138 1069119634 /nfs/dbraw/zinc/11/96/34/1069119634.db2.gz KUAZJADOYXVIEB-FQEVSTJZSA-N 1 0 488.608 3.441 20 0 JGADRO CCC(CC)[C@H](Cn1c(N2CCS[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+]1CCOCC1 ZINC001305715236 1069120186 /nfs/dbraw/zinc/12/01/86/1069120186.db2.gz MBOYFIMLJMKUMQ-UWDQQESISA-N 1 0 495.734 3.397 20 0 JGADRO CCC(CC)[C@H](Cn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305716159 1069121599 /nfs/dbraw/zinc/12/15/99/1069121599.db2.gz OSJPXYPAAAGEMY-IRLDBZIGSA-N 1 0 474.694 3.208 20 0 JGADRO CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)[NH+](C)C ZINC001305716229 1069122248 /nfs/dbraw/zinc/12/22/48/1069122248.db2.gz PNPAMPVFAPTIHH-PKTZIBPZSA-N 1 0 497.688 3.396 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(CC)C1)[NH+]1CCOCC1 ZINC001305716877 1069122925 /nfs/dbraw/zinc/12/29/25/1069122925.db2.gz RFTNHGXVLXWAEL-BVAGGSTKSA-N 1 0 487.693 3.282 20 0 JGADRO CCC(CC)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)[NH+](C)C ZINC001305716632 1069122959 /nfs/dbraw/zinc/12/29/59/1069122959.db2.gz QZXJFCWQGVNUKS-NBGIEHNGSA-N 1 0 488.608 3.394 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001305717268 1069124811 /nfs/dbraw/zinc/12/48/11/1069124811.db2.gz SVIQOGIHNFCNNS-PKTZIBPZSA-N 1 0 474.694 3.410 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305720500 1069128948 /nfs/dbraw/zinc/12/89/48/1069128948.db2.gz ORDFRHOBWUKDJM-FQEVSTJZSA-N 1 0 476.666 3.193 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305720777 1069129655 /nfs/dbraw/zinc/12/96/55/1069129655.db2.gz RWSYHCPEVOHQNZ-PZJWPPBQSA-N 1 0 461.699 3.237 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001305723068 1069135706 /nfs/dbraw/zinc/13/57/06/1069135706.db2.gz JICOONDVSIJRRR-UHFFFAOYSA-N 1 0 472.682 3.305 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCC1 ZINC001305723696 1069137388 /nfs/dbraw/zinc/13/73/88/1069137388.db2.gz PHQNRBSXUJOPCZ-QFIPXVFZSA-N 1 0 468.646 3.212 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305726658 1069144014 /nfs/dbraw/zinc/14/40/14/1069144014.db2.gz ROTDMXJXLRYSJD-QHCPKHFHSA-N 1 0 462.639 3.409 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCC[NH+]1CCCC1 ZINC001305735246 1069155185 /nfs/dbraw/zinc/15/51/85/1069155185.db2.gz FCAKHJRQRGFLMF-ICSRJNTNSA-N 1 0 491.681 3.032 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCC(C)C ZINC001305735465 1069156524 /nfs/dbraw/zinc/15/65/24/1069156524.db2.gz HQMUZIDKYZRRKN-OFNKIYASSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738889 1069165096 /nfs/dbraw/zinc/16/50/96/1069165096.db2.gz MZTXHEPBARCRHH-MSOLQXFVSA-N 1 0 496.660 3.059 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001305742901 1069178065 /nfs/dbraw/zinc/17/80/65/1069178065.db2.gz CLEATMLRRYFFRT-MOPGFXCFSA-N 1 0 491.681 3.032 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305743147 1069179456 /nfs/dbraw/zinc/17/94/56/1069179456.db2.gz QVYYZDJZHMVVJR-HKBOAZHASA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743734 1069180621 /nfs/dbraw/zinc/18/06/21/1069180621.db2.gz YEHUYIOBFLYMDM-RBUKOAKNSA-N 1 0 498.676 3.257 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001305744655 1069183144 /nfs/dbraw/zinc/18/31/44/1069183144.db2.gz XCQIBSXRWGXMGW-LEWJYISDSA-N 1 0 474.625 3.500 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305745660 1069186800 /nfs/dbraw/zinc/18/68/00/1069186800.db2.gz UMXSZVBNKRIDCJ-IBVKSMDESA-N 1 0 490.693 3.093 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1CC[NH+]1CCCCCC1 ZINC001305747163 1069190399 /nfs/dbraw/zinc/19/03/99/1069190399.db2.gz PNMBOWILHKIDCE-UHFFFAOYSA-N 1 0 486.665 3.322 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305752805 1069200373 /nfs/dbraw/zinc/20/03/73/1069200373.db2.gz KNNSKALMPXDXKX-NRFANRHFSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@]1(C)CCCO1 ZINC001305755171 1069206258 /nfs/dbraw/zinc/20/62/58/1069206258.db2.gz KPQLSQNSCGRBIW-BVFVYWQFSA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1cc(F)ccc1OC ZINC001305757180 1069213439 /nfs/dbraw/zinc/21/34/39/1069213439.db2.gz VDOQAUJWVIUKJU-OAQYLSRUSA-N 1 0 472.609 3.457 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001305758733 1069219052 /nfs/dbraw/zinc/21/90/52/1069219052.db2.gz MXRQFSKSSWTQBD-AFMDSPMNSA-N 1 0 486.636 3.165 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3oncc3C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001305758855 1069219399 /nfs/dbraw/zinc/21/93/99/1069219399.db2.gz IWVVJOKSSIHRSK-NRFANRHFSA-N 1 0 465.602 3.359 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001305759096 1069219925 /nfs/dbraw/zinc/21/99/25/1069219925.db2.gz OVSFVMQGDVYXKJ-FQEVSTJZSA-N 1 0 495.672 3.216 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305759460 1069221439 /nfs/dbraw/zinc/22/14/39/1069221439.db2.gz RMPIDLQEKKFLNX-OAQYLSRUSA-N 1 0 482.673 3.416 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001305759418 1069221464 /nfs/dbraw/zinc/22/14/64/1069221464.db2.gz QATCHIRVUGJKBS-SANMLTNESA-N 1 0 486.636 3.308 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001305759414 1069221502 /nfs/dbraw/zinc/22/15/02/1069221502.db2.gz QATCHIRVUGJKBS-AREMUKBSSA-N 1 0 486.636 3.308 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001305761515 1069228224 /nfs/dbraw/zinc/22/82/24/1069228224.db2.gz LEQDUBBMIBGQHY-DEOSSOPVSA-N 1 0 498.672 3.125 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305761655 1069228899 /nfs/dbraw/zinc/22/88/99/1069228899.db2.gz CFUQOYBARPPAMM-TUNNFDKTSA-N 1 0 460.667 3.060 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001305762418 1069230635 /nfs/dbraw/zinc/23/06/35/1069230635.db2.gz YIPBQPXLGGFYMQ-HHJKRLRDSA-N 1 0 492.734 3.418 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305763708 1069232755 /nfs/dbraw/zinc/23/27/55/1069232755.db2.gz GVWHCVPDYKYFHW-RXVVDRJESA-N 1 0 488.608 3.028 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001305765670 1069236713 /nfs/dbraw/zinc/23/67/13/1069236713.db2.gz WPUSLVIKGCGAJQ-GMAHTHKFSA-N 1 0 496.656 3.251 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1Cc1cc(C)on1 ZINC001305767504 1069239046 /nfs/dbraw/zinc/23/90/46/1069239046.db2.gz GAPMMNAIGWGUHQ-HXUWFJFHSA-N 1 0 471.650 3.490 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305767856 1069239907 /nfs/dbraw/zinc/23/99/07/1069239907.db2.gz JAYUSTFCXLIOLF-AZUAARDMSA-N 1 0 486.665 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCn1ccnc1C ZINC001305769277 1069243728 /nfs/dbraw/zinc/24/37/28/1069243728.db2.gz PPYCSUPOUUCKHY-JOCHJYFZSA-N 1 0 484.693 3.350 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001305769628 1069245157 /nfs/dbraw/zinc/24/51/57/1069245157.db2.gz ILMWFCJWUJFKHY-WMZHIEFXSA-N 1 0 499.708 3.368 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001305771546 1069248297 /nfs/dbraw/zinc/24/82/97/1069248297.db2.gz QKHMLZFKRPGRHL-FGZHOGPDSA-N 1 0 470.666 3.192 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001305773664 1069253213 /nfs/dbraw/zinc/25/32/13/1069253213.db2.gz PAHXALQNKLXTRY-VWLOTQADSA-N 1 0 462.683 3.448 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305774039 1069254678 /nfs/dbraw/zinc/25/46/78/1069254678.db2.gz YYNGPMQEYYYLPD-HSZRJFAPSA-N 1 0 481.645 3.268 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305775056 1069257234 /nfs/dbraw/zinc/25/72/34/1069257234.db2.gz IVACRQFVURIYMF-XMMPIXPASA-N 1 0 495.716 3.434 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305776308 1069259897 /nfs/dbraw/zinc/25/98/97/1069259897.db2.gz SVDAEOMZGRPHOX-RXVVDRJESA-N 1 0 456.639 3.003 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305776482 1069260373 /nfs/dbraw/zinc/26/03/73/1069260373.db2.gz ULTFBVPFZVAXMK-WOIUINJBSA-N 1 0 470.666 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001305779229 1069268139 /nfs/dbraw/zinc/26/81/39/1069268139.db2.gz LJTMGTZUBAOQIG-ROUUACIJSA-N 1 0 487.615 3.001 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001305779255 1069268594 /nfs/dbraw/zinc/26/85/94/1069268594.db2.gz LSQYTWCEYIDNOX-QGZVFWFLSA-N 1 0 487.615 3.001 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305779937 1069269488 /nfs/dbraw/zinc/26/94/88/1069269488.db2.gz IUBLITIYRDOKDN-VQTJNVASSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305780355 1069270575 /nfs/dbraw/zinc/27/05/75/1069270575.db2.gz CBDOMCFWTLVWSP-VQTJNVASSA-N 1 0 487.718 3.483 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001305781088 1069272673 /nfs/dbraw/zinc/27/26/73/1069272673.db2.gz XFRFOOGGEDAHKS-INIZCTEOSA-N 1 0 462.561 3.084 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1CCC[NH+]1CCCC1 ZINC001305784561 1069281366 /nfs/dbraw/zinc/28/13/66/1069281366.db2.gz XYQIFBBYYWIHSI-UHFFFAOYSA-N 1 0 453.635 3.009 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccs3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001305784709 1069282058 /nfs/dbraw/zinc/28/20/58/1069282058.db2.gz SOMWUVAUBRQMBR-QGZVFWFLSA-N 1 0 459.664 3.067 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccsc1 ZINC001305784957 1069282765 /nfs/dbraw/zinc/28/27/65/1069282765.db2.gz CCFPIPODDOFJQT-UHFFFAOYSA-N 1 0 487.718 3.301 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC1(COC)CCC1 ZINC001305785016 1069283285 /nfs/dbraw/zinc/28/32/85/1069283285.db2.gz DZIOKGSZEDGNOT-IBGZPJMESA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1Cc1cc(OC)nc2ccccc12 ZINC001305785523 1069286335 /nfs/dbraw/zinc/28/63/35/1069286335.db2.gz GTLYXSQKNFNWMM-SFHVURJKSA-N 1 0 479.629 3.332 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001305785668 1069286904 /nfs/dbraw/zinc/28/69/04/1069286904.db2.gz OHUFRCAIKPTNEN-IBGZPJMESA-N 1 0 482.677 3.016 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1Cc1c(C)oc2ccccc21 ZINC001305786197 1069289693 /nfs/dbraw/zinc/28/96/93/1069289693.db2.gz CGFQCIMKSJYXMN-GOSISDBHSA-N 1 0 482.629 3.456 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC1CC(C)(C)C1 ZINC001305786807 1069291146 /nfs/dbraw/zinc/29/11/46/1069291146.db2.gz AQXQHYDSMJMHGX-UHFFFAOYSA-N 1 0 460.667 3.181 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCc1c[nH]nc1C ZINC001305786683 1069291458 /nfs/dbraw/zinc/29/14/58/1069291458.db2.gz YEHHBIIWDGMUIV-GOSISDBHSA-N 1 0 470.666 3.171 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305787450 1069293567 /nfs/dbraw/zinc/29/35/67/1069293567.db2.gz ACHBVZDEWJJIKI-GOSISDBHSA-N 1 0 479.551 3.333 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CC[C@@H]1CCOC1 ZINC001305787293 1069293713 /nfs/dbraw/zinc/29/37/13/1069293713.db2.gz JBLQWJJECSTPBU-OAQYLSRUSA-N 1 0 468.646 3.254 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001305787871 1069294899 /nfs/dbraw/zinc/29/48/99/1069294899.db2.gz OHXBVEYITPEKEU-UHFFFAOYSA-N 1 0 499.607 3.447 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCc1cccc(F)c1F ZINC001305788093 1069295828 /nfs/dbraw/zinc/29/58/28/1069295828.db2.gz HKODIEPLNKXTBR-LJQANCHMSA-N 1 0 460.573 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305788664 1069297399 /nfs/dbraw/zinc/29/73/99/1069297399.db2.gz ABLFHUNBKKVLPH-MOPGFXCFSA-N 1 0 462.664 3.422 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305788666 1069297698 /nfs/dbraw/zinc/29/76/98/1069297698.db2.gz ABLFHUNBKKVLPH-OALUTQOASA-N 1 0 462.664 3.422 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(CC)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305789270 1069299124 /nfs/dbraw/zinc/29/91/24/1069299124.db2.gz CUSKEYNVFUUQBX-RUZDIDTESA-N 1 0 478.682 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001305789737 1069300215 /nfs/dbraw/zinc/30/02/15/1069300215.db2.gz RBSLFKFUHZXXPH-MRXNPFEDSA-N 1 0 496.582 3.164 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCCCNC(=O)OC(C)(C)C ZINC001305790314 1069301329 /nfs/dbraw/zinc/30/13/29/1069301329.db2.gz VFNIXWZLZVDXJN-FQEVSTJZSA-N 1 0 491.681 3.176 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](C)c1ncc(C)s1 ZINC001305791095 1069303543 /nfs/dbraw/zinc/30/35/43/1069303543.db2.gz ZEZYXFXFFQJMBZ-VQIMIIECSA-N 1 0 459.664 3.440 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305792351 1069306085 /nfs/dbraw/zinc/30/60/85/1069306085.db2.gz AXNQCZGMUKKPJQ-RTWAWAEBSA-N 1 0 472.634 3.488 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305792839 1069306589 /nfs/dbraw/zinc/30/65/89/1069306589.db2.gz CDNXVPMWJZVASD-PMACEKPBSA-N 1 0 489.690 3.414 20 0 JGADRO O=C1CN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)CC2(CC[NH2+]CC2)N1 ZINC001164391687 718809709 /nfs/dbraw/zinc/80/97/09/718809709.db2.gz HHBNGYNPFLLTBW-UHFFFAOYSA-N 1 0 476.650 3.403 20 0 JGADRO F[C@]1(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164404768 718863108 /nfs/dbraw/zinc/86/31/08/718863108.db2.gz PMFWDVYWGLJZGG-CDMIOBSGSA-N 1 0 466.388 3.232 20 0 JGADRO CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164410143 718867276 /nfs/dbraw/zinc/86/72/76/718867276.db2.gz XJXRQBNNAMNPAM-UHFFFAOYSA-N 1 0 451.905 3.440 20 0 JGADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)cc1 ZINC001164416468 718885100 /nfs/dbraw/zinc/88/51/00/718885100.db2.gz WZMKWVLEOSJCMI-UHFFFAOYSA-N 1 0 488.926 3.424 20 0 JGADRO [NH3+][C@]12C[C@H]1CN(C(F)(F)c1cccc(S(=O)(=O)Nc3nc4ccccc4nc3Cl)c1)C2 ZINC001164418469 718888289 /nfs/dbraw/zinc/88/82/89/718888289.db2.gz OALWZHFALFPGGQ-DJJJIMSYSA-N 1 0 465.913 3.166 20 0 JGADRO [NH3+][C@@]12C[C@@H]1CN(C(F)(F)c1cccc(S(=O)(=O)Nc3nc4ccccc4nc3Cl)c1)C2 ZINC001164418468 718888348 /nfs/dbraw/zinc/88/83/48/718888348.db2.gz OALWZHFALFPGGQ-BFUOFWGJSA-N 1 0 465.913 3.166 20 0 JGADRO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164423522 718917222 /nfs/dbraw/zinc/91/72/22/718917222.db2.gz HZMJNWXOXZSZLP-OAQYLSRUSA-N 1 0 453.917 3.444 20 0 JGADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)n1 ZINC001164425322 718918533 /nfs/dbraw/zinc/91/85/33/718918533.db2.gz RQONJFUGBLMOIA-XMMPIXPASA-N 1 0 453.612 3.005 20 0 JGADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164431864 718970998 /nfs/dbraw/zinc/97/09/98/718970998.db2.gz CDEPTEQPOZXCFI-HOTGVXAUSA-N 1 0 454.827 3.074 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3C4(CC[C@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1Cl ZINC001164620942 719007227 /nfs/dbraw/zinc/00/72/27/719007227.db2.gz ZTHSUGPSNLSLSF-VFNWGFHPSA-N 1 0 486.947 3.001 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164613988 719007529 /nfs/dbraw/zinc/00/75/29/719007529.db2.gz BCLOMERHXYCZJN-AOMKIAJQSA-N 1 0 483.991 3.424 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN([C@@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164614194 719011211 /nfs/dbraw/zinc/01/12/11/719011211.db2.gz DHDQELQIFJMCBG-WVFSVQOHSA-N 1 0 476.927 3.085 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164614703 719017831 /nfs/dbraw/zinc/01/78/31/719017831.db2.gz GEPCALUDYNWOOF-ZAWLATJESA-N 1 0 469.655 3.142 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164614204 719021166 /nfs/dbraw/zinc/02/11/66/719021166.db2.gz PMBZQBBDBYXKJB-UHFFFAOYSA-N 1 0 474.936 3.096 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c(C(=O)OC)c3)CC2)CC1 ZINC001164614173 719024589 /nfs/dbraw/zinc/02/45/89/719024589.db2.gz OQTRRQUOJFLCCJ-UHFFFAOYSA-N 1 0 459.921 3.310 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(C(=O)OC)nc3Cl)CC2)CC1 ZINC001164614424 719026149 /nfs/dbraw/zinc/02/61/49/719026149.db2.gz SLPANMGSMZKHBM-UHFFFAOYSA-N 1 0 459.921 3.310 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4cc(C)sc4c(N4CCOCC4)n3)CC2)CC1 ZINC001164617824 719028732 /nfs/dbraw/zinc/02/87/32/719028732.db2.gz PPHQPGBWJYLWAZ-UHFFFAOYSA-N 1 0 473.643 3.080 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4c(=O)n(Cc5ccc(OC)cc5)cc-4[nH]3)CC2)CC1 ZINC001164616382 719030846 /nfs/dbraw/zinc/03/08/46/719030846.db2.gz CRRDFWNXKNKBQF-UHFFFAOYSA-N 1 0 492.620 3.490 20 0 JGADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164618944 719084686 /nfs/dbraw/zinc/08/46/86/719084686.db2.gz BQOJVNCBIXWYRL-ZWKOTPCHSA-N 1 0 454.962 3.144 20 0 JGADRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164635086 719136545 /nfs/dbraw/zinc/13/65/45/719136545.db2.gz VUYHAZHVMYEEKJ-MRXNPFEDSA-N 1 0 457.625 3.357 20 0 JGADRO CCOC(=O)c1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164680949 719658058 /nfs/dbraw/zinc/65/80/58/719658058.db2.gz JPBQRDMJKGLTJV-NRFANRHFSA-N 1 0 464.610 3.352 20 0 JGADRO COC(=O)c1cc(F)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684517 719658116 /nfs/dbraw/zinc/65/81/16/719658116.db2.gz XRBYGVLJGIZHGR-GOSISDBHSA-N 1 0 468.573 3.101 20 0 JGADRO COC(=O)c1ccc(C)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680717 719659169 /nfs/dbraw/zinc/65/91/69/719659169.db2.gz IDFVLDVLWQNHAR-FQEVSTJZSA-N 1 0 464.610 3.270 20 0 JGADRO CCOC(=O)c1cc(F)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679979 719660422 /nfs/dbraw/zinc/66/04/22/719660422.db2.gz BQDKSXPRBIJHHX-LJQANCHMSA-N 1 0 482.600 3.491 20 0 JGADRO Cc1nc2ccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc2n1C ZINC001164680445 719669060 /nfs/dbraw/zinc/66/90/60/719669060.db2.gz FHTRQOKASSMUSB-FQEVSTJZSA-N 1 0 460.626 3.370 20 0 JGADRO C[C@H]1CC(=O)Nc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c21 ZINC001164681485 719669967 /nfs/dbraw/zinc/66/99/67/719669967.db2.gz LQDBIEUUGYWZEX-OALUTQOASA-N 1 0 476.625 3.016 20 0 JGADRO CN(C)c1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686859 719670292 /nfs/dbraw/zinc/67/02/92/719670292.db2.gz YENNFTJNTGJUFJ-SFHVURJKSA-N 1 0 471.049 3.289 20 0 JGADRO COCCn1ccc2c1ncnc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683447 719671254 /nfs/dbraw/zinc/67/12/54/719671254.db2.gz RWXUWBGOURXJSG-OAQYLSRUSA-N 1 0 490.652 3.171 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4ncnc(Cl)c4n3)CC2)c2ccccc21 ZINC001164680350 719674476 /nfs/dbraw/zinc/67/44/76/719674476.db2.gz CZAXMQZBDPUZBJ-QGZVFWFLSA-N 1 0 480.016 3.167 20 0 JGADRO CN1CCOc2c(Cl)nnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c21 ZINC001164681180 719676514 /nfs/dbraw/zinc/67/65/14/719676514.db2.gz KLOZZTAGWKTRML-GOSISDBHSA-N 1 0 499.059 3.052 20 0 JGADRO CCOC(=O)c1cnc(CC)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164687877 719679929 /nfs/dbraw/zinc/67/99/29/719679929.db2.gz WNFSDQDTFIBXRT-HXUWFJFHSA-N 1 0 493.652 3.309 20 0 JGADRO CC(C)Oc1nccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680044 719680650 /nfs/dbraw/zinc/68/06/50/719680650.db2.gz AYVBVBUPUPRJOP-HXUWFJFHSA-N 1 0 451.615 3.357 20 0 JGADRO CN1CCc2nc(Cl)nc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2C1 ZINC001164686484 719681351 /nfs/dbraw/zinc/68/13/51/719681351.db2.gz NQFVXFWXHIQBOG-IBGZPJMESA-N 1 0 497.087 3.211 20 0 JGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)nc1 ZINC001164684379 719692095 /nfs/dbraw/zinc/69/20/95/719692095.db2.gz IGKJJEKYMJNTCQ-KNQAVFIVSA-N 1 0 452.603 3.153 20 0 JGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@H]3C)nc1 ZINC001164684390 719692125 /nfs/dbraw/zinc/69/21/25/719692125.db2.gz IGKJJEKYMJNTCQ-UGKGYDQZSA-N 1 0 452.603 3.153 20 0 JGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)CC2 ZINC001164687337 719733779 /nfs/dbraw/zinc/73/37/79/719733779.db2.gz WEKYYCLXVZHDKK-UHFFFAOYSA-N 1 0 450.583 3.365 20 0 JGADRO Fc1cccnc1N(c1ncnc2c1CN(Cc1ccccc1)CC2)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690669 719758725 /nfs/dbraw/zinc/75/87/25/719758725.db2.gz GVBZDICCGNWGFT-RXFWQSSRSA-N 1 0 460.557 3.228 20 0 JGADRO Fc1cccnc1N(c1ncnc2c1CCN(Cc1ccccc1)C2)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690376 719760840 /nfs/dbraw/zinc/76/08/40/719760840.db2.gz BBKPKBBFRVTXNI-FNZWTVRRSA-N 1 0 460.557 3.228 20 0 JGADRO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164695755 719834961 /nfs/dbraw/zinc/83/49/61/719834961.db2.gz OGARYYZUYZICPP-DEOSSOPVSA-N 1 0 481.604 3.484 20 0 JGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c12 ZINC001164811436 720070394 /nfs/dbraw/zinc/07/03/94/720070394.db2.gz OJARQLHIJWIPHH-NIYFSFCBSA-N 1 0 463.582 3.244 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164812195 720074340 /nfs/dbraw/zinc/07/43/40/720074340.db2.gz PVCTZTFXPSNRAY-YWZLYKJASA-N 1 0 458.937 3.036 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1Cl ZINC001164809297 720074505 /nfs/dbraw/zinc/07/45/05/720074505.db2.gz JGRBUYSZPNRJIB-MGPUTAFESA-N 1 0 458.937 3.036 20 0 JGADRO O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164709406 720081977 /nfs/dbraw/zinc/08/19/77/720081977.db2.gz DRQIUCYQPLCTOP-INNMJMHTSA-N 1 0 476.621 3.015 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164806807 720085041 /nfs/dbraw/zinc/08/50/41/720085041.db2.gz DHBZJQZOVCOHLQ-DYESRHJHSA-N 1 0 455.981 3.460 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCC(=O)N2CCCC2)nc1 ZINC001164713305 720086890 /nfs/dbraw/zinc/08/68/90/720086890.db2.gz SIWVNRKYJQFJMN-ONJIFJTESA-N 1 0 456.631 3.394 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](OCC(=O)N4CCCC4)CC[C@@H]32)nc1 ZINC001164713303 720087234 /nfs/dbraw/zinc/08/72/34/720087234.db2.gz SIWVNRKYJQFJMN-KSZLKVKMSA-N 1 0 456.631 3.394 20 0 JGADRO O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCC1 ZINC001164709378 720088019 /nfs/dbraw/zinc/08/80/19/720088019.db2.gz DKTACTRDGPFXPQ-TUNNFDKTSA-N 1 0 496.986 3.032 20 0 JGADRO COc1cccc(NC(=O)c2nc3c(s2)CCN(c2cccc(N4CC[NH+](C)CC4)n2)CC3)c1 ZINC001164711372 720088967 /nfs/dbraw/zinc/08/89/67/720088967.db2.gz LUZWAIMYVBIDDZ-UHFFFAOYSA-N 1 0 478.622 3.156 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(C(=O)OC)cc31)CC2 ZINC001164709752 720101722 /nfs/dbraw/zinc/10/17/22/720101722.db2.gz CUUAMPQRSPAECM-NRFANRHFSA-N 1 0 461.566 3.319 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)C2 ZINC001164813764 720113307 /nfs/dbraw/zinc/11/33/07/720113307.db2.gz QKKQBWHIRJVJCJ-IXFSTUDKSA-N 1 0 461.010 3.364 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)CC2 ZINC001164714178 720115397 /nfs/dbraw/zinc/11/53/97/720115397.db2.gz AJVRSXNHSVZSID-JOCHJYFZSA-N 1 0 486.620 3.265 20 0 JGADRO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)nc2N1C1CCCC1 ZINC001164810533 720115538 /nfs/dbraw/zinc/11/55/38/720115538.db2.gz JYUCCUYYVWQEBP-WSNOQYBDSA-N 1 0 468.646 3.141 20 0 JGADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC)OCC ZINC001164811142 720116041 /nfs/dbraw/zinc/11/60/41/720116041.db2.gz LRXBLZCHAOWZSQ-MBSDFSHPSA-N 1 0 453.027 3.256 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCOCC1)CC2 ZINC001164718072 720116792 /nfs/dbraw/zinc/11/67/92/720116792.db2.gz RKMKBZJJJNRMIJ-HSZRJFAPSA-N 1 0 488.636 3.369 20 0 JGADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716148 720117326 /nfs/dbraw/zinc/11/73/26/720117326.db2.gz JFLWTHHAOBIFDI-NRFANRHFSA-N 1 0 465.598 3.433 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(C(=O)OC(C)(C)C)n1)CC2 ZINC001164719072 720125708 /nfs/dbraw/zinc/12/57/08/720125708.db2.gz VIOZIDJIKQCACE-FQEVSTJZSA-N 1 0 453.587 3.334 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)C2 ZINC001164816466 720133350 /nfs/dbraw/zinc/13/33/50/720133350.db2.gz YYCCTQHPSTULIC-NVQXNPDNSA-N 1 0 463.630 3.109 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(SCC(=O)OC)n1)CC2 ZINC001164710826 720134508 /nfs/dbraw/zinc/13/45/08/720134508.db2.gz DJMJBDKGUWZMJX-FQEVSTJZSA-N 1 0 456.612 3.249 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ncn3Cc1ccccc1F)C2 ZINC001164816140 720134911 /nfs/dbraw/zinc/13/49/11/720134911.db2.gz XQWJVSFZTSBJRT-NLFFAJNJSA-N 1 0 450.562 3.198 20 0 JGADRO CCOC(=O)c1ncnc(Cl)c1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711250 720137660 /nfs/dbraw/zinc/13/76/60/720137660.db2.gz GKTXIAFRCQOGCU-SFHVURJKSA-N 1 0 459.978 3.209 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cn3ccccc3=O)cn1)CC2 ZINC001164710401 720144850 /nfs/dbraw/zinc/14/48/50/720144850.db2.gz AVPGYXJPKCIVRI-XMMPIXPASA-N 1 0 459.594 3.194 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(/C=C\C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815992 720149325 /nfs/dbraw/zinc/14/93/25/720149325.db2.gz JOVIDIWPKLYGOY-PVNZLMSPSA-N 1 0 484.641 3.437 20 0 JGADRO CCOC(=O)c1ccnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1C(=O)OCC ZINC001164713448 720157675 /nfs/dbraw/zinc/15/76/75/720157675.db2.gz KPKKJEXGYNZHJP-NRFANRHFSA-N 1 0 496.608 3.338 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)C2 ZINC001164814268 720176184 /nfs/dbraw/zinc/17/61/84/720176184.db2.gz FKQSNYJWFMGCHD-AMGIVPHBSA-N 1 0 480.632 3.127 20 0 JGADRO Cn1nnc2c1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716543 720188012 /nfs/dbraw/zinc/18/80/12/720188012.db2.gz GUWCCPQKUKMHPR-LJQANCHMSA-N 1 0 477.009 3.035 20 0 JGADRO CC(C)n1ccc2c1nc(Cl)nc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718142 720194144 /nfs/dbraw/zinc/19/41/44/720194144.db2.gz XNGYVQOXFMZEFK-SFHVURJKSA-N 1 0 458.998 3.010 20 0 JGADRO Cn1nnc2c1CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716642 720194185 /nfs/dbraw/zinc/19/41/85/720194185.db2.gz QQXHUDUMYDDMFT-IBGZPJMESA-N 1 0 466.977 3.109 20 0 JGADRO CCc1nc2sc3c(c2c(N2CCc4c(nnn4C)[C@@H]2COCC[NH+]2CCCC2)n1)CCC3 ZINC001164713320 720196202 /nfs/dbraw/zinc/19/62/02/720196202.db2.gz AYABVXBLPQYTPK-SFHVURJKSA-N 1 0 467.643 3.087 20 0 JGADRO Cc1nc2sc3c(c2c(N2CCc4c(nnn4C)[C@@H]2COCC[NH+]2CCCC2)n1)CCCC3 ZINC001164715300 720196252 /nfs/dbraw/zinc/19/62/52/720196252.db2.gz KSRWNJPGXWUBOV-IBGZPJMESA-N 1 0 467.643 3.223 20 0 JGADRO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164713794 720196855 /nfs/dbraw/zinc/19/68/55/720196855.db2.gz DPPXLNQUGFBDON-YKSBVNFPSA-N 1 0 490.656 3.353 20 0 JGADRO Cn1nnc2c1CCN(c1nc(-c3ccccn3)nc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717626 720197044 /nfs/dbraw/zinc/19/70/44/720197044.db2.gz VLLXFNDIAIGSQC-HSZRJFAPSA-N 1 0 470.581 3.037 20 0 JGADRO Cn1nnc2c1CCN(c1ncc(Cl)nc1-c1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717136 720199858 /nfs/dbraw/zinc/19/98/58/720199858.db2.gz SNRPSVAOLXCQTE-IBGZPJMESA-N 1 0 453.978 3.142 20 0 JGADRO Cn1nnc2c1CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716608 720200762 /nfs/dbraw/zinc/20/07/62/720200762.db2.gz PYQWJJIQNKMSRW-IBGZPJMESA-N 1 0 492.609 3.205 20 0 JGADRO Cn1nnc2c1CCN(c1ccnc(CSc3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716209 720204583 /nfs/dbraw/zinc/20/45/83/720204583.db2.gz AVZXQLMCHLCRRH-OAQYLSRUSA-N 1 0 465.627 3.114 20 0 JGADRO Cn1nnc2c1CCN(c1cnc(Cl)nc1Oc1ccccc1F)[C@H]2COCC[NH+]1CCCC1 ZINC001164717825 720204712 /nfs/dbraw/zinc/20/47/12/720204712.db2.gz JATGPABGLPKFLH-IBGZPJMESA-N 1 0 487.967 3.406 20 0 JGADRO COc1cc2c(cc1F)cc(Cl)nc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719244 720206745 /nfs/dbraw/zinc/20/67/45/720206745.db2.gz PIXPBNMMSJPVLG-IBGZPJMESA-N 1 0 474.968 3.381 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716348 720206761 /nfs/dbraw/zinc/20/67/61/720206761.db2.gz BWCLOXISAWCQNR-LJQANCHMSA-N 1 0 466.964 3.113 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719947 720206959 /nfs/dbraw/zinc/20/69/59/720206959.db2.gz UUKNJYFFPNSHII-GOSISDBHSA-N 1 0 466.964 3.200 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccccn3)nc3ccccc31)CCC2 ZINC001164814540 720236388 /nfs/dbraw/zinc/23/63/88/720236388.db2.gz XPUUQZSTJZTZCT-UHFFFAOYSA-N 1 0 455.566 3.499 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c(Cl)nc(Cl)nc32)CC1 ZINC001164820493 720305939 /nfs/dbraw/zinc/30/59/39/720305939.db2.gz HFWPEGNSLFVRIL-OLZOCXBDSA-N 1 0 484.819 3.292 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2ncn3Cc2ccccc2)CC1 ZINC001164823196 720307056 /nfs/dbraw/zinc/30/70/56/720307056.db2.gz PJKBKRASUYHQSQ-NHCUHLMSSA-N 1 0 494.043 3.440 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2ncn3Cc2ccccc2)CC1 ZINC001164823198 720307224 /nfs/dbraw/zinc/30/72/24/720307224.db2.gz PJKBKRASUYHQSQ-RTWAWAEBSA-N 1 0 494.043 3.440 20 0 JGADRO CCOc1cc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OCC ZINC001164833418 720319179 /nfs/dbraw/zinc/31/91/79/720319179.db2.gz WZQWLXOCJRVHFC-YADHBBJMSA-N 1 0 467.614 3.339 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2ccn3Cc2ccccc2)CC1 ZINC001164833003 720322853 /nfs/dbraw/zinc/32/28/53/720322853.db2.gz VJOFXZVGUULTRT-RPWUZVMVSA-N 1 0 458.610 3.391 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)ccc2C(=O)NC(C)(C)C)CC1 ZINC001164832499 720323560 /nfs/dbraw/zinc/32/35/60/720323560.db2.gz UDOCMOOXCSSRBF-RBUKOAKNSA-N 1 0 462.038 3.175 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ccc2C(=O)NC(C)(C)C)CC1 ZINC001164832501 720323831 /nfs/dbraw/zinc/32/38/31/720323831.db2.gz UDOCMOOXCSSRBF-RTBURBONSA-N 1 0 462.038 3.175 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc3ncnc(Cl)c3n2)CC1 ZINC001164831332 720325857 /nfs/dbraw/zinc/32/58/57/720325857.db2.gz QWMNZHZAMACNJQ-IAGOWNOFSA-N 1 0 464.948 3.135 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc(Oc3ccc(F)cc3)n2)CC1 ZINC001164824715 720326465 /nfs/dbraw/zinc/32/64/65/720326465.db2.gz CUYUTTKYODIGLD-OALUTQOASA-N 1 0 474.968 3.368 20 0 JGADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833405 720328207 /nfs/dbraw/zinc/32/82/07/720328207.db2.gz WTWXJRNAUYJSTE-PKTZIBPZSA-N 1 0 450.583 3.323 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(-c3nc(C(C)(C)C)no3)ccn2)CC1 ZINC001164832939 720333426 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Cc1sc2nc(CN3CCCC3)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1C ZINC001165010021 721744884 /nfs/dbraw/zinc/74/48/84/721744884.db2.gz KUOMRBHHHDBSHJ-UHFFFAOYSA-N 1 0 470.687 3.427 20 0 JGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2[C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001165012521 721746714 /nfs/dbraw/zinc/74/67/14/721746714.db2.gz KARXSMHUWRFGAI-QFIPXVFZSA-N 1 0 461.969 3.448 20 0 JGADRO Clc1nc2c(c(N(Cc3ncn4c3C[NH2+]CCC4)c3ncccn3)n1)CN(Cc1ccccc1)C2 ZINC001165014254 721766849 /nfs/dbraw/zinc/76/68/49/721766849.db2.gz FVGSVNZRNRPYRI-UHFFFAOYSA-N 1 0 487.999 3.464 20 0 JGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164914330 721800124 /nfs/dbraw/zinc/80/01/24/721800124.db2.gz LXIBEEOEOCHHDM-AHWVRZQESA-N 1 0 451.615 3.131 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(S(N)(=O)=O)cnc3Cl)C[C@@H]21 ZINC001165023594 721820822 /nfs/dbraw/zinc/82/08/22/721820822.db2.gz IHGYWMOZYACVNA-DKSSEZFCSA-N 1 0 485.988 3.059 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@@H]21 ZINC001165021480 721823183 /nfs/dbraw/zinc/82/31/83/721823183.db2.gz FUFXNEWKZDYECF-AKIFATBCSA-N 1 0 462.646 3.204 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C[C@H]21 ZINC001165018859 721825550 /nfs/dbraw/zinc/82/55/50/721825550.db2.gz AKRWKEMWZWDERB-KSEOMHKRSA-N 1 0 462.598 3.044 20 0 JGADRO COc1cc2cc[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3csc(C)n3)C4)c2cc1OC ZINC001164920151 721828676 /nfs/dbraw/zinc/82/86/76/721828676.db2.gz BMYYMNWHBROXEU-DEOSSOPVSA-N 1 0 470.595 3.125 20 0 JGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(=O)N(C)OC)cc(Cl)n2)CC1 ZINC001165020454 721841336 /nfs/dbraw/zinc/84/13/36/721841336.db2.gz DQRCORNJMUEWAA-UHFFFAOYSA-N 1 0 462.978 3.486 20 0 JGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 ZINC001165022012 721843778 /nfs/dbraw/zinc/84/37/78/721843778.db2.gz MGTGXCZZBOVSBQ-UHFFFAOYSA-N 1 0 489.016 3.325 20 0 JGADRO 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ZINC001164959973 722060533 /nfs/dbraw/zinc/06/05/33/722060533.db2.gz BCUOBLFKIFDAON-UHFFFAOYSA-N 1 0 453.921 3.111 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C2)nc1 ZINC001164977669 722088588 /nfs/dbraw/zinc/08/85/88/722088588.db2.gz XMWWKNLGHRSIGP-GJZUVCINSA-N 1 0 455.647 3.362 20 0 JGADRO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164983498 722099880 /nfs/dbraw/zinc/09/98/80/722099880.db2.gz QMDXMSCYGMIQJT-RTBURBONSA-N 1 0 467.595 3.299 20 0 JGADRO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164981400 722107534 /nfs/dbraw/zinc/10/75/34/722107534.db2.gz LHMDIOMIODMGPP-WMZOPIPTSA-N 1 0 466.916 3.189 20 0 JGADRO COc1cc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164974911 722110166 /nfs/dbraw/zinc/11/01/66/722110166.db2.gz IVLYOWXKKPPIKS-JTSKRJEESA-N 1 0 469.973 3.423 20 0 JGADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983151 722113420 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ZINC001298843588 1064646911 /nfs/dbraw/zinc/64/69/11/1064646911.db2.gz XIUDNEOTCGHZJV-SFHVURJKSA-N 1 0 474.407 3.422 20 0 JGADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC001298846699 1064650605 /nfs/dbraw/zinc/65/06/05/1064650605.db2.gz OWBFWRNGACECJS-GOSISDBHSA-N 1 0 459.388 3.178 20 0 JGADRO COc1cccc([C@@H]2[C@@H](C(=O)N(C)CCC[N@H+](C)Cc3ccncc3)CC(=O)N2C2CC2)c1 ZINC001298847729 1064652115 /nfs/dbraw/zinc/65/21/15/1064652115.db2.gz WWFIJTUAGDORAH-UKILVPOCSA-N 1 0 450.583 3.123 20 0 JGADRO COc1cccc([C@@H]2[C@H](C(=O)N(C)CCC[N@H+](C)Cc3ccncc3)CC(=O)N2C2CC2)c1 ZINC001298847727 1064652134 /nfs/dbraw/zinc/65/21/34/1064652134.db2.gz WWFIJTUAGDORAH-ILBGXUMGSA-N 1 0 450.583 3.123 20 0 JGADRO Cn1cccc1-c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCC1 ZINC001298857622 1064660374 /nfs/dbraw/zinc/66/03/74/1064660374.db2.gz OQMAQAAVBXSSKH-LJQANCHMSA-N 1 0 457.623 3.263 20 0 JGADRO Cn1cnnc1Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001298868463 1064671771 /nfs/dbraw/zinc/67/17/71/1064671771.db2.gz DVFMWAQOXPWWCR-UHFFFAOYSA-N 1 0 491.413 3.334 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001298877531 1064682487 /nfs/dbraw/zinc/68/24/87/1064682487.db2.gz GTVQQAGFEOQQSA-JOCHJYFZSA-N 1 0 478.435 3.168 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccccc3Br)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001298877533 1064682610 /nfs/dbraw/zinc/68/26/10/1064682610.db2.gz GTVQQAGFEOQQSA-QFIPXVFZSA-N 1 0 478.435 3.168 20 0 JGADRO CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298879228 1064684112 /nfs/dbraw/zinc/68/41/12/1064684112.db2.gz NQDNISXOLYVHBT-HRAATJIYSA-N 1 0 454.402 3.324 20 0 JGADRO CN(Cc1ccc(Br)o1)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298881006 1064687001 /nfs/dbraw/zinc/68/70/01/1064687001.db2.gz BSFOMFGZWNPVGK-NRFANRHFSA-N 1 0 494.365 3.055 20 0 JGADRO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(OC)c1 ZINC001298885492 1064691256 /nfs/dbraw/zinc/69/12/56/1064691256.db2.gz GBUMZBLAMDYELQ-CDNPAEQRSA-N 1 0 451.567 3.088 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CCc2ccccc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001298885699 1064691921 /nfs/dbraw/zinc/69/19/21/1064691921.db2.gz AVLYSKVQGQFAMR-JOCHJYFZSA-N 1 0 473.687 3.197 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001298885749 1064692127 /nfs/dbraw/zinc/69/21/27/1064692127.db2.gz BSAJXEHQXHBQIQ-IBGZPJMESA-N 1 0 497.585 3.407 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001298885976 1064693012 /nfs/dbraw/zinc/69/30/12/1064693012.db2.gz CEZPBTKUNJTSKK-HKBOAZHASA-N 1 0 474.694 3.424 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298886813 1064695697 /nfs/dbraw/zinc/69/56/97/1064695697.db2.gz HNLGJYLFTRSGPT-LJQANCHMSA-N 1 0 465.689 3.064 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001298886751 1064695834 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RDKGGHSLJXQUBI-HSZRJFAPSA-N 1 0 457.640 3.390 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001298942998 1064735316 /nfs/dbraw/zinc/73/53/16/1064735316.db2.gz LHRMQGPAOYJMII-UHFFFAOYSA-N 1 0 451.619 3.043 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001298947406 1064738870 /nfs/dbraw/zinc/73/88/70/1064738870.db2.gz CWIDTTONLIUHER-UHFFFAOYSA-N 1 0 484.645 3.093 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001298964172 1064750809 /nfs/dbraw/zinc/75/08/09/1064750809.db2.gz HRSBCAFYOILDPM-VQIMIIECSA-N 1 0 456.616 3.136 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001298964171 1064750981 /nfs/dbraw/zinc/75/09/81/1064750981.db2.gz HRSBCAFYOILDPM-QFBILLFUSA-N 1 0 456.616 3.136 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCCC1 ZINC001298964167 1064751066 /nfs/dbraw/zinc/75/10/66/1064751066.db2.gz HPSSRWBORQKENM-AWEZNQCLSA-N 1 0 469.453 3.073 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1CC[NH+]1CCCCC1 ZINC001298965703 1064754195 /nfs/dbraw/zinc/75/41/95/1064754195.db2.gz QXAKAQYOKWYURX-MRXNPFEDSA-N 1 0 463.424 3.012 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001298970481 1064761591 /nfs/dbraw/zinc/76/15/91/1064761591.db2.gz PBZUUDFOJYJXMF-GHTZIAJQSA-N 1 0 484.645 3.045 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001298978217 1064765057 /nfs/dbraw/zinc/76/50/57/1064765057.db2.gz GREZEGGPIZMYGD-RBUKOAKNSA-N 1 0 451.619 3.367 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001298981161 1064768228 /nfs/dbraw/zinc/76/82/28/1064768228.db2.gz CDKOYJOMJSZNHE-KRWDZBQOSA-N 1 0 487.073 3.460 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001298999469 1064779126 /nfs/dbraw/zinc/77/91/26/1064779126.db2.gz LHQLLKNJQQOYLS-KDYSTLNUSA-N 1 0 495.672 3.230 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001299004853 1064786524 /nfs/dbraw/zinc/78/65/24/1064786524.db2.gz GVYHOCOFZPEOOS-SBUREZEXSA-N 1 0 489.462 3.402 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001299004841 1064786566 /nfs/dbraw/zinc/78/65/66/1064786566.db2.gz GVHFGNVYYXPIRM-OPAMFIHVSA-N 1 0 475.435 3.154 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001299005989 1064788809 /nfs/dbraw/zinc/78/88/09/1064788809.db2.gz JSTRYZVSJZBDMF-UZUQRXQVSA-N 1 0 458.582 3.004 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001299005987 1064788964 /nfs/dbraw/zinc/78/89/64/1064788964.db2.gz JSTRYZVSJZBDMF-SBUREZEXSA-N 1 0 458.582 3.004 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)C(C)C)C1 ZINC001299008107 1064791907 /nfs/dbraw/zinc/79/19/07/1064791907.db2.gz WZVMICDUCRIIQS-OAQYLSRUSA-N 1 0 463.424 3.010 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001299008463 1064792796 /nfs/dbraw/zinc/79/27/96/1064792796.db2.gz ZZPRQSTZHDIMBD-NLFFAJNJSA-N 1 0 454.619 3.037 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001299015488 1064798491 /nfs/dbraw/zinc/79/84/91/1064798491.db2.gz RLCFWZCCHMKZJQ-XDHUDOTRSA-N 1 0 474.053 3.466 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001299016182 1064799980 /nfs/dbraw/zinc/79/99/80/1064799980.db2.gz UXMOMIURQYUDRU-BVZFJXPGSA-N 1 0 498.653 3.289 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001299020001 1064803372 /nfs/dbraw/zinc/80/33/72/1064803372.db2.gz HRRSVWFPQABEQZ-SANMLTNESA-N 1 0 461.614 3.133 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001299028339 1064812453 /nfs/dbraw/zinc/81/24/53/1064812453.db2.gz KJLAJXJSBUDBGA-SIBVEZHUSA-N 1 0 470.637 3.481 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001299029951 1064816046 /nfs/dbraw/zinc/81/60/46/1064816046.db2.gz RLNIISDEBFMPOB-HHHXNRCGSA-N 1 0 482.673 3.495 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001299030426 1064816565 /nfs/dbraw/zinc/81/65/65/1064816565.db2.gz SVXSOYKROZIZIP-RUZDIDTESA-N 1 0 458.626 3.479 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2CCCCC2)C1 ZINC001299031905 1064819506 /nfs/dbraw/zinc/81/95/06/1064819506.db2.gz CDPISAWDCCGRBF-SANMLTNESA-N 1 0 468.646 3.312 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001299032358 1064820063 /nfs/dbraw/zinc/82/00/63/1064820063.db2.gz GRXYGMDOUOMQHL-XMMPIXPASA-N 1 0 475.037 3.349 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@H+](C)C(C)C)C1 ZINC001299034048 1064822833 /nfs/dbraw/zinc/82/28/33/1064822833.db2.gz QTSKVCKXVOEDHA-RUZDIDTESA-N 1 0 456.635 3.167 20 0 JGADRO 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Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4cnccn4)n3CC[NH+](C(C)C)C(C)C)C2)nc1 ZINC001492281251 1065374570 /nfs/dbraw/zinc/37/45/70/1065374570.db2.gz PJGRVHRMSSQLMR-OAQYLSRUSA-N 1 0 491.644 3.412 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@H](C3CC3)[NH+](C)C)CC2)nc1 ZINC001492284532 1065377699 /nfs/dbraw/zinc/37/76/99/1065377699.db2.gz YVCDWGYFCISICL-OAQYLSRUSA-N 1 0 453.635 3.375 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492287064 1065380054 /nfs/dbraw/zinc/38/00/54/1065380054.db2.gz AGTYSCFRAYAKPV-OAQYLSRUSA-N 1 0 461.614 3.379 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492287168 1065380075 /nfs/dbraw/zinc/38/00/75/1065380075.db2.gz NRXDUDIPCXONKO-FDFHNCONSA-N 1 0 484.645 3.055 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001492287555 1065380547 /nfs/dbraw/zinc/38/05/47/1065380547.db2.gz QVPZBKLROSHFDR-FQEVSTJZSA-N 1 0 454.619 3.430 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001492587863 1065383090 /nfs/dbraw/zinc/38/30/90/1065383090.db2.gz DGZNGVWTDCPENI-ZEQRLZLVSA-N 1 0 455.647 3.395 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001492318044 1065394091 /nfs/dbraw/zinc/39/40/91/1065394091.db2.gz SNWSVMAJJZOHMR-HXUWFJFHSA-N 1 0 475.659 3.053 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492321186 1065395381 /nfs/dbraw/zinc/39/53/81/1065395381.db2.gz YFOWSIKCKNCAMD-SFHVURJKSA-N 1 0 455.525 3.319 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492321185 1065395420 /nfs/dbraw/zinc/39/54/20/1065395420.db2.gz YFOWSIKCKNCAMD-GOSISDBHSA-N 1 0 455.525 3.319 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001492325205 1065397666 /nfs/dbraw/zinc/39/76/66/1065397666.db2.gz JEVHZUDCDFUDBI-JOCHJYFZSA-N 1 0 479.629 3.401 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001492332291 1065402618 /nfs/dbraw/zinc/40/26/18/1065402618.db2.gz XNHKXKBSOWXSLR-LJQANCHMSA-N 1 0 457.619 3.484 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001492332290 1065402827 /nfs/dbraw/zinc/40/28/27/1065402827.db2.gz XNHKXKBSOWXSLR-IBGZPJMESA-N 1 0 457.619 3.484 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001492337588 1065405435 /nfs/dbraw/zinc/40/54/35/1065405435.db2.gz HUETWUUAWGOETF-FCHUYYIVSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001492289290 1065409033 /nfs/dbraw/zinc/40/90/33/1065409033.db2.gz YZFDIKUYIQHUPR-IBGZPJMESA-N 1 0 495.653 3.137 20 0 JGADRO Cc1ccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC001492297722 1065412120 /nfs/dbraw/zinc/41/21/20/1065412120.db2.gz YAXLNUQSCHZARI-ZCYQVOJMSA-N 1 0 484.689 3.409 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492353196 1065414565 /nfs/dbraw/zinc/41/45/65/1065414565.db2.gz UCSHCVWDOZWWKV-SANMLTNESA-N 1 0 470.662 3.054 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CC(C)(C)O)cc1 ZINC001492391018 1065414772 /nfs/dbraw/zinc/41/47/72/1065414772.db2.gz JRVFMEZTFPKAON-UHFFFAOYSA-N 1 0 455.628 3.363 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492353903 1065417149 /nfs/dbraw/zinc/41/71/49/1065417149.db2.gz POCGOAXMKOGNLS-FQEVSTJZSA-N 1 0 456.635 3.119 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1C ZINC001492359648 1065421399 /nfs/dbraw/zinc/42/13/99/1065421399.db2.gz LLKMOJFVTPAIPG-OAQYLSRUSA-N 1 0 489.686 3.266 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001492362147 1065423109 /nfs/dbraw/zinc/42/31/09/1065423109.db2.gz BNQRMNDBTIEYKG-SANMLTNESA-N 1 0 468.646 3.391 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001492363361 1065424015 /nfs/dbraw/zinc/42/40/15/1065424015.db2.gz ISOPYLAJAHORDN-FYYLOGMGSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](N4CCCC4=O)C3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001492369779 1065430167 /nfs/dbraw/zinc/43/01/67/1065430167.db2.gz BJYJKGPRAVBXGX-NRFANRHFSA-N 1 0 454.619 3.097 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492370309 1065431901 /nfs/dbraw/zinc/43/19/01/1065431901.db2.gz HQTFPZZWAXROIH-FDFHNCONSA-N 1 0 498.672 3.145 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC[NH+]2CCCCC2)cc1C ZINC001492372384 1065437990 /nfs/dbraw/zinc/43/79/90/1065437990.db2.gz ZDBMHOBGABWFBR-JOCHJYFZSA-N 1 0 468.646 3.442 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001492377890 1065442414 /nfs/dbraw/zinc/44/24/14/1065442414.db2.gz XYOXKEAQIBKIJW-SWYRRKHMSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001492382935 1065445353 /nfs/dbraw/zinc/44/53/53/1065445353.db2.gz GCKLMHJPXUJHBL-FPOVZHCZSA-N 1 0 466.586 3.037 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2CCCC(F)(F)F)cc1 ZINC001492383408 1065447745 /nfs/dbraw/zinc/44/77/45/1065447745.db2.gz ROVRNXYFWRHJBF-UHFFFAOYSA-N 1 0 494.562 3.252 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CC(=O)NC2CCCCC2)cc1 ZINC001492383300 1065447830 /nfs/dbraw/zinc/44/78/30/1065447830.db2.gz QQXOJIKSHUPKHD-UHFFFAOYSA-N 1 0 454.619 3.145 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCC(=O)N(C)C)cc1C ZINC001492383915 1065449358 /nfs/dbraw/zinc/44/93/58/1065449358.db2.gz ZKWAGOCQEXIBHY-UHFFFAOYSA-N 1 0 456.635 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001492385194 1065452072 /nfs/dbraw/zinc/45/20/72/1065452072.db2.gz OBBKODWQQMNBAH-UHFFFAOYSA-N 1 0 470.662 3.366 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC001492390965 1065457071 /nfs/dbraw/zinc/45/70/71/1065457071.db2.gz HZTGEYIIXQUXDL-WOJBJXKFSA-N 1 0 468.646 3.168 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001492393355 1065465110 /nfs/dbraw/zinc/46/51/10/1065465110.db2.gz LOEJVYFYLWVSNM-BJKOFHAPSA-N 1 0 471.646 3.384 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001492396099 1065468494 /nfs/dbraw/zinc/46/84/94/1065468494.db2.gz XRRQUZAFYDKXHW-XMMPIXPASA-N 1 0 471.646 3.448 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001492401988 1065471727 /nfs/dbraw/zinc/47/17/27/1065471727.db2.gz QHZFOXDUXCBIBJ-QPPBQGQZSA-N 1 0 459.660 3.118 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[N@H+]2CC=CCC2)cc1C ZINC001492402122 1065471738 /nfs/dbraw/zinc/47/17/38/1065471738.db2.gz RTUKWEMQZXNDON-XMMPIXPASA-N 1 0 469.630 3.366 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](c4cnn(C)c4)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492402062 1065471750 /nfs/dbraw/zinc/47/17/50/1065471750.db2.gz REVFYFDXFONNGL-QHCPKHFHSA-N 1 0 467.618 3.126 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492421500 1065481976 /nfs/dbraw/zinc/48/19/76/1065481976.db2.gz QPQIDTPBSHRFCH-FGZHOGPDSA-N 1 0 489.686 3.124 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001492421468 1065482177 /nfs/dbraw/zinc/48/21/77/1065482177.db2.gz PODDQYHLLYZNTM-IRLDBZIGSA-N 1 0 454.619 3.317 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001492421467 1065482245 /nfs/dbraw/zinc/48/22/45/1065482245.db2.gz PODDQYHLLYZNTM-IFMALSPDSA-N 1 0 454.619 3.317 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001492391375 1065498260 /nfs/dbraw/zinc/49/82/60/1065498260.db2.gz CZPRHJHQOJOOSL-VWLOTQADSA-N 1 0 484.689 3.300 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001492455903 1065505563 /nfs/dbraw/zinc/50/55/63/1065505563.db2.gz DWTSLLDWARCRAZ-AZUAARDMSA-N 1 0 456.660 3.311 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492461678 1065509703 /nfs/dbraw/zinc/50/97/03/1065509703.db2.gz HCGYTEOHUXWZCX-ICSRJNTNSA-N 1 0 465.689 3.232 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CC(=O)NC(C)C)cc1 ZINC001492462027 1065510411 /nfs/dbraw/zinc/51/04/11/1065510411.db2.gz LOPZWQJBGDGNKH-HXUWFJFHSA-N 1 0 456.660 3.468 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492463601 1065511578 /nfs/dbraw/zinc/51/15/78/1065511578.db2.gz UMPVIHPVJBOIJK-FQEVSTJZSA-N 1 0 479.716 3.480 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCSCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001492468777 1065516872 /nfs/dbraw/zinc/51/68/72/1065516872.db2.gz OGNIZXSXEQSIEQ-UHFFFAOYSA-N 1 0 460.717 3.458 20 0 JGADRO CO[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001300824676 1065553347 /nfs/dbraw/zinc/55/33/47/1065553347.db2.gz FXPCZMWGNFCTAW-UGKGYDQZSA-N 1 0 459.610 3.105 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1(C)C ZINC001300835270 1065570811 /nfs/dbraw/zinc/57/08/11/1065570811.db2.gz RCDAKZOMXXELRG-SFHLNBCPSA-N 1 0 456.635 3.013 20 0 JGADRO CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1(C)C ZINC001300840166 1065576890 /nfs/dbraw/zinc/57/68/90/1065576890.db2.gz UBXMDDPJIHSHCS-IBGZPJMESA-N 1 0 466.051 3.421 20 0 JGADRO CO[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1(C)C ZINC001300841225 1065579209 /nfs/dbraw/zinc/57/92/09/1065579209.db2.gz HLWQFMSWTAGGHC-DHIUTWEWSA-N 1 0 471.646 3.384 20 0 JGADRO CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1(C)C ZINC001300844103 1065584250 /nfs/dbraw/zinc/58/42/50/1065584250.db2.gz QWBMKRVFGGUZDV-JQVVWYNYSA-N 1 0 457.667 3.369 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC[C@H]1C ZINC001300851981 1065597056 /nfs/dbraw/zinc/59/70/56/1065597056.db2.gz ZDWZQIHVGGUQPQ-GNJRFXKQSA-N 1 0 477.694 3.415 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001300880595 1065663763 /nfs/dbraw/zinc/66/37/63/1065663763.db2.gz MRSNZRGGUYQHTF-QGZVFWFLSA-N 1 0 486.617 3.058 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001300880242 1065663802 /nfs/dbraw/zinc/66/38/02/1065663802.db2.gz JAFVGPXAZHXQKS-FQEVSTJZSA-N 1 0 487.004 3.098 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001300880594 1065663860 /nfs/dbraw/zinc/66/38/60/1065663860.db2.gz MRSNZRGGUYQHTF-KRWDZBQOSA-N 1 0 486.617 3.058 20 0 JGADRO COCC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300892704 1065682368 /nfs/dbraw/zinc/68/23/68/1065682368.db2.gz RJRDXEPYACQWNB-SZPZYZBQSA-N 1 0 496.700 3.229 20 0 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COC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001301348197 1066138531 /nfs/dbraw/zinc/13/85/31/1066138531.db2.gz VCNJKTIVPCKOHB-FYYLOGMGSA-N 1 0 484.645 3.263 20 0 JGADRO COC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001301352604 1066142781 /nfs/dbraw/zinc/14/27/81/1066142781.db2.gz PEHWZVGMMNPAKS-UGKGYDQZSA-N 1 0 461.582 3.285 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001301356767 1066146196 /nfs/dbraw/zinc/14/61/96/1066146196.db2.gz HNOQCATXEKIYNO-PKOBYXMFSA-N 1 0 495.466 3.399 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001301359750 1066151110 /nfs/dbraw/zinc/15/11/10/1066151110.db2.gz QGIUZSWYVDPFAH-FUHWJXTLSA-N 1 0 481.439 3.008 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCCCC2)CCO1 ZINC001301360274 1066152774 /nfs/dbraw/zinc/15/27/74/1066152774.db2.gz QPHQWDOSFKLVES-QGZVFWFLSA-N 1 0 482.398 3.184 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001301362476 1066156892 /nfs/dbraw/zinc/15/68/92/1066156892.db2.gz VVIASPCVXJENHR-QUCCMNQESA-N 1 0 478.435 3.208 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cnc4cc(F)c(F)cc4c3O)C2)ccn1 ZINC001301364744 1066159894 /nfs/dbraw/zinc/15/98/94/1066159894.db2.gz XACWMJZFPQRXEG-QGZVFWFLSA-N 1 0 456.493 3.335 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC001301368140 1066162174 /nfs/dbraw/zinc/16/21/74/1066162174.db2.gz IBUNKYZGSOKPHY-BJLQDIEVSA-N 1 0 496.027 3.479 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC001301369881 1066164437 /nfs/dbraw/zinc/16/44/37/1066164437.db2.gz USBSSFHQROJKBK-HXUWFJFHSA-N 1 0 474.968 3.116 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001301370603 1066165084 /nfs/dbraw/zinc/16/50/84/1066165084.db2.gz APQWFFBSQNCLDS-NVJIOZQYSA-N 1 0 487.645 3.082 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301373645 1066167512 /nfs/dbraw/zinc/16/75/12/1066167512.db2.gz ITZURRFFJZICJU-ZRCGQRJVSA-N 1 0 457.619 3.173 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H](C)O1 ZINC001301389041 1066174936 /nfs/dbraw/zinc/17/49/36/1066174936.db2.gz YCGMLRAZUAMHGM-GJPOJAMWSA-N 1 0 459.610 3.369 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301396325 1066177448 /nfs/dbraw/zinc/17/74/48/1066177448.db2.gz JIUOQRDICBTMJH-XJUOHMSHSA-N 1 0 471.646 3.097 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001301396326 1066177453 /nfs/dbraw/zinc/17/74/53/1066177453.db2.gz JIUOQRDICBTMJH-XPNTWCBSSA-N 1 0 471.646 3.097 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001301396362 1066177474 /nfs/dbraw/zinc/17/74/74/1066177474.db2.gz JSYXSKIBUGCDQZ-VCOUNFBDSA-N 1 0 459.610 3.369 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@@H](C)O1 ZINC001301397517 1066178340 /nfs/dbraw/zinc/17/83/40/1066178340.db2.gz RARJBWOYMLNLMO-VWPQPMDRSA-N 1 0 459.610 3.369 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@@H](C)O1 ZINC001301397765 1066178728 /nfs/dbraw/zinc/17/87/28/1066178728.db2.gz UKEORWLERMFMOH-XPNTWCBSSA-N 1 0 471.646 3.238 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H](C)O1 ZINC001301397816 1066178786 /nfs/dbraw/zinc/17/87/86/1066178786.db2.gz VKJOYFRKKNIFAR-OYDLWJJNSA-N 1 0 464.614 3.115 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC001301397992 1066179057 /nfs/dbraw/zinc/17/90/57/1066179057.db2.gz XZVHQZOEQUCLKA-URVUXULASA-N 1 0 459.610 3.370 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC001301397990 1066179062 /nfs/dbraw/zinc/17/90/62/1066179062.db2.gz XZVHQZOEQUCLKA-ONTIZHBOSA-N 1 0 459.610 3.370 20 0 JGADRO COC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H](C)O1 ZINC001301401302 1066182094 /nfs/dbraw/zinc/18/20/94/1066182094.db2.gz GUJCRZAYUIUQPQ-NHTMILBNSA-N 1 0 455.647 3.424 20 0 JGADRO COC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001301404189 1066186387 /nfs/dbraw/zinc/18/63/87/1066186387.db2.gz PYKHDJGDISTTFS-URXFXBBRSA-N 1 0 471.646 3.044 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001301404850 1066186998 /nfs/dbraw/zinc/18/69/98/1066186998.db2.gz HGKXPJYIPYPQFX-YADHBBJMSA-N 1 0 457.619 3.200 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)CCO1 ZINC001301409243 1066194110 /nfs/dbraw/zinc/19/41/10/1066194110.db2.gz DACSIAWZRTWIBE-QHCPKHFHSA-N 1 0 457.619 3.200 20 0 JGADRO COC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)CCO1 ZINC001301409242 1066194131 /nfs/dbraw/zinc/19/41/31/1066194131.db2.gz DACSIAWZRTWIBE-HSZRJFAPSA-N 1 0 457.619 3.200 20 0 JGADRO COC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001301410291 1066197922 /nfs/dbraw/zinc/19/79/22/1066197922.db2.gz SWGLMZPJINRTOI-FUHWJXTLSA-N 1 0 484.428 3.500 20 0 JGADRO COCCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001301415973 1066206528 /nfs/dbraw/zinc/20/65/28/1066206528.db2.gz CVROJUMJHIECTA-QFIPXVFZSA-N 1 0 457.619 3.317 20 0 JGADRO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001301945024 1066229825 /nfs/dbraw/zinc/22/98/25/1066229825.db2.gz VBSUUHPAKPPNHJ-SFTDATJTSA-N 1 0 476.710 3.499 20 0 JGADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnccn2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001301947945 1066239546 /nfs/dbraw/zinc/23/95/46/1066239546.db2.gz HKJSXYAXWPRRPY-UQBPGWFLSA-N 1 0 496.685 3.450 20 0 JGADRO COCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001301438568 1066241428 /nfs/dbraw/zinc/24/14/28/1066241428.db2.gz BLQDTTXAXRWYRM-DFBJGRDBSA-N 1 0 453.587 3.345 20 0 JGADRO COCC[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301438681 1066242079 /nfs/dbraw/zinc/24/20/79/1066242079.db2.gz QHUOIQULVIZOSZ-VWLOTQADSA-N 1 0 467.618 3.043 20 0 JGADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001301948962 1066243997 /nfs/dbraw/zinc/24/39/97/1066243997.db2.gz PAOLNQPDQLNQLW-RBUKOAKNSA-N 1 0 484.674 3.003 20 0 JGADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001301948966 1066244061 /nfs/dbraw/zinc/24/40/61/1066244061.db2.gz PDLNFACTMMLHHD-LJQANCHMSA-N 1 0 498.701 3.393 20 0 JGADRO COCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001301950176 1066245779 /nfs/dbraw/zinc/24/57/79/1066245779.db2.gz AMRKIDMMAKHODV-UHFFFAOYSA-N 1 0 486.636 3.185 20 0 JGADRO COCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001301950180 1066245821 /nfs/dbraw/zinc/24/58/21/1066245821.db2.gz AQNAQULKJCDLCX-OAQYLSRUSA-N 1 0 498.672 3.053 20 0 JGADRO COCCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001301951831 1066251997 /nfs/dbraw/zinc/25/19/97/1066251997.db2.gz VEIRLWGZVKNYGE-UHFFFAOYSA-N 1 0 482.673 3.317 20 0 JGADRO COCC[C@](C)(O)Cn1c(-c2ccccn2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001301446485 1066260137 /nfs/dbraw/zinc/26/01/37/1066260137.db2.gz ZYCIXOMTFMZYNX-SANMLTNESA-N 1 0 464.614 3.228 20 0 JGADRO COCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001301454517 1066271643 /nfs/dbraw/zinc/27/16/43/1066271643.db2.gz ZNUGXYYBGKPOAD-FBLLAGFSSA-N 1 0 463.667 3.052 20 0 JGADRO COCC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001301455865 1066273704 /nfs/dbraw/zinc/27/37/04/1066273704.db2.gz NUVMJRWLGFOLDH-OFVILXPXSA-N 1 0 490.718 3.370 20 0 JGADRO COCC[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001301459974 1066280279 /nfs/dbraw/zinc/28/02/79/1066280279.db2.gz QAPWFOUYVKKUOK-AREMUKBSSA-N 1 0 471.646 3.408 20 0 JGADRO COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC001301460361 1066281438 /nfs/dbraw/zinc/28/14/38/1066281438.db2.gz DAMIPFFDKCTYSX-RTWAWAEBSA-N 1 0 460.667 3.324 20 0 JGADRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)Cc3cccc4nsnc43)c2)CC1 ZINC001301977208 1066282351 /nfs/dbraw/zinc/28/23/51/1066282351.db2.gz DOCMKKMKQVUYBZ-UHFFFAOYSA-N 1 0 454.556 3.325 20 0 JGADRO COCC[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301462501 1066285240 /nfs/dbraw/zinc/28/52/40/1066285240.db2.gz IQMMBLFTIKBXTR-DFBJGRDBSA-N 1 0 494.681 3.058 20 0 JGADRO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001301982985 1066291283 /nfs/dbraw/zinc/29/12/83/1066291283.db2.gz HANNDSQXKNONCZ-BHIFYINESA-N 1 0 463.667 3.377 20 0 JGADRO COCCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CCCC1 ZINC001301477763 1066300035 /nfs/dbraw/zinc/30/00/35/1066300035.db2.gz MIVQTIBFPVVAQI-OAQYLSRUSA-N 1 0 460.667 3.383 20 0 JGADRO 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COCCC[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001301613245 1066462497 /nfs/dbraw/zinc/46/24/97/1066462497.db2.gz KNANNJPDWJVIFO-OPYAIIAOSA-N 1 0 461.632 3.089 20 0 JGADRO COCCC[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001301613776 1066463014 /nfs/dbraw/zinc/46/30/14/1066463014.db2.gz RAUSLGXOSHVNSU-UHFFFAOYSA-N 1 0 452.578 3.242 20 0 JGADRO COCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001301613622 1066463089 /nfs/dbraw/zinc/46/30/89/1066463089.db2.gz NMTRMXWUPOCWRE-HSZRJFAPSA-N 1 0 456.635 3.123 20 0 JGADRO COCCC[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001301613652 1066463112 /nfs/dbraw/zinc/46/31/12/1066463112.db2.gz NYEHWYJMCGLKJV-UHFFFAOYSA-N 1 0 467.540 3.276 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCCC3(CCCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302065483 1066465022 /nfs/dbraw/zinc/46/50/22/1066465022.db2.gz MOCKUDAFBMHYFY-OAQYLSRUSA-N 1 0 463.667 3.398 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001302066269 1066466797 /nfs/dbraw/zinc/46/67/97/1066466797.db2.gz CXYHRKWFIYGARL-DLBZAZTESA-N 1 0 465.561 3.280 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001302066271 1066466812 /nfs/dbraw/zinc/46/68/12/1066466812.db2.gz CXYHRKWFIYGARL-IRXDYDNUSA-N 1 0 465.561 3.280 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001302066534 1066467575 /nfs/dbraw/zinc/46/75/75/1066467575.db2.gz DOHVYQAORXYPLH-HKBOAZHASA-N 1 0 451.656 3.374 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCn1c(C)nc2ccccc21 ZINC001302066833 1066468711 /nfs/dbraw/zinc/46/87/11/1066468711.db2.gz GWZYUHAMNKNDTM-FQEVSTJZSA-N 1 0 469.634 3.281 20 0 JGADRO COCCC[N@H+](C)CCn1c(N2CCC(c3nc(-c4ccccn4)no3)CC2)nnc1C(C)(C)C ZINC001301618070 1066470058 /nfs/dbraw/zinc/47/00/58/1066470058.db2.gz MPIHHIJCDHZQLM-UHFFFAOYSA-N 1 0 482.633 3.373 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001302069495 1066473875 /nfs/dbraw/zinc/47/38/75/1066473875.db2.gz WBTWJJWEUFMILK-LJQANCHMSA-N 1 0 472.634 3.319 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCCO[C@H](C)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001302070851 1066477167 /nfs/dbraw/zinc/47/71/67/1066477167.db2.gz DNQOSIQFQRPXCX-MQSCRBSSSA-N 1 0 457.619 3.454 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1Cc1c(C)nn(C)c1C ZINC001302072733 1066483547 /nfs/dbraw/zinc/48/35/47/1066483547.db2.gz NAYWGGGJHKOSOI-NRFANRHFSA-N 1 0 499.635 3.252 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCCN(c3nccs3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302073779 1066485783 /nfs/dbraw/zinc/48/57/83/1066485783.db2.gz WIBVMCKHEKIKDD-PWRODBHTSA-N 1 0 491.706 3.296 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCO1 ZINC001302074193 1066486344 /nfs/dbraw/zinc/48/63/44/1066486344.db2.gz ZXVKHESTZJBQLU-DENIHFKCSA-N 1 0 461.582 3.033 20 0 JGADRO CC(C)(C)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302075150 1066487149 /nfs/dbraw/zinc/48/71/49/1066487149.db2.gz ILAUOIZVVKPQRI-UXHICEINSA-N 1 0 474.625 3.394 20 0 JGADRO CC(C)(C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001302079045 1066493405 /nfs/dbraw/zinc/49/34/05/1066493405.db2.gz WFKUBSGNRHSTQM-OALUTQOASA-N 1 0 494.731 3.240 20 0 JGADRO COCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001301633128 1066494956 /nfs/dbraw/zinc/49/49/56/1066494956.db2.gz QMKZSXWELNLWLD-OALUTQOASA-N 1 0 462.042 3.025 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001302080442 1066496769 /nfs/dbraw/zinc/49/67/69/1066496769.db2.gz PHRZMZBPWWDTIK-SFHVURJKSA-N 1 0 490.615 3.197 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+]2CCCC2)CC1 ZINC001301635501 1066499511 /nfs/dbraw/zinc/49/95/11/1066499511.db2.gz SUUYNCGZWCOMGU-UHFFFAOYSA-N 1 0 462.545 3.089 20 0 JGADRO COCCCn1c(-c2ccccc2Cl)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001301636433 1066500267 /nfs/dbraw/zinc/50/02/67/1066500267.db2.gz AYTHSTNNXAZLMS-UHFFFAOYSA-N 1 0 458.010 3.432 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001301637439 1066501224 /nfs/dbraw/zinc/50/12/24/1066501224.db2.gz CQXROBBIKWOZPY-OAQYLSRUSA-N 1 0 453.635 3.216 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301638494 1066502212 /nfs/dbraw/zinc/50/22/12/1066502212.db2.gz QTCKKMQUJWVGSU-AZUAARDMSA-N 1 0 453.635 3.216 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001301638601 1066502604 /nfs/dbraw/zinc/50/26/04/1066502604.db2.gz SIMPBQOQFBVWDI-DHIUTWEWSA-N 1 0 460.667 3.477 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1csc([C@@H](C)OC)n1 ZINC001302082372 1066502811 /nfs/dbraw/zinc/50/28/11/1066502811.db2.gz XUCXTDKOCGWJHU-IAGOWNOFSA-N 1 0 466.652 3.135 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001301639913 1066503890 /nfs/dbraw/zinc/50/38/90/1066503890.db2.gz JWCISKYWUURUEV-UHFFFAOYSA-N 1 0 452.647 3.499 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001301640326 1066504443 /nfs/dbraw/zinc/50/44/43/1066504443.db2.gz QJNFOWYKLPCSOK-DEOSSOPVSA-N 1 0 479.604 3.153 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001302083435 1066504606 /nfs/dbraw/zinc/50/46/06/1066504606.db2.gz ZYFYFZHXRARBPG-AWEZNQCLSA-N 1 0 476.569 3.446 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001301643813 1066507967 /nfs/dbraw/zinc/50/79/67/1066507967.db2.gz GXRRAXLYYXJUTI-HXUWFJFHSA-N 1 0 454.619 3.097 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001301644818 1066509295 /nfs/dbraw/zinc/50/92/95/1066509295.db2.gz RVBGYQDLPQASCZ-UHFFFAOYSA-N 1 0 472.609 3.318 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001301647768 1066512172 /nfs/dbraw/zinc/51/21/72/1066512172.db2.gz IYMXFLMNRFJACG-ICSRJNTNSA-N 1 0 474.625 3.450 20 0 JGADRO CC(C)(C)c1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302087355 1066512713 /nfs/dbraw/zinc/51/27/13/1066512713.db2.gz FYLOEQSAWSUIRJ-IBGZPJMESA-N 1 0 461.054 3.402 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CC(F)(F)CO1 ZINC001302088769 1066515026 /nfs/dbraw/zinc/51/50/26/1066515026.db2.gz HDHNIJRMBDQOKF-SVFBPWRDSA-N 1 0 479.572 3.137 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+](C)C(C)C)C1 ZINC001301649695 1066515725 /nfs/dbraw/zinc/51/57/25/1066515725.db2.gz XERFBCFXBHPLFR-ICSRJNTNSA-N 1 0 460.598 3.202 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cccc2c1OCO2 ZINC001302089524 1066516730 /nfs/dbraw/zinc/51/67/30/1066516730.db2.gz OQTHUEQEENQXAQ-IBGZPJMESA-N 1 0 473.618 3.337 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1Cc1ncnn1C(C)(C)C ZINC001302090116 1066517147 /nfs/dbraw/zinc/51/71/47/1066517147.db2.gz SZBHHQWCYAMZHF-NRFANRHFSA-N 1 0 496.660 3.028 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCCOC1 ZINC001302090445 1066517613 /nfs/dbraw/zinc/51/76/13/1066517613.db2.gz VHAKELVAQPLGGT-XPNTWCBSSA-N 1 0 457.619 3.139 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccn3C)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001301652008 1066519691 /nfs/dbraw/zinc/51/96/91/1066519691.db2.gz ZDEGRQATQFBQAN-JOCHJYFZSA-N 1 0 477.657 3.477 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001302092802 1066520576 /nfs/dbraw/zinc/52/05/76/1066520576.db2.gz KEXQRCFRQQJMHW-SFHVURJKSA-N 1 0 497.562 3.370 20 0 JGADRO COCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001301652867 1066521459 /nfs/dbraw/zinc/52/14/59/1066521459.db2.gz NVHYTSNQBGVOBQ-IBGZPJMESA-N 1 0 464.010 3.096 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302093555 1066521654 /nfs/dbraw/zinc/52/16/54/1066521654.db2.gz WLZFPGXEAXULNC-NJDAHSKKSA-N 1 0 494.681 3.226 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C)n3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001301653742 1066522798 /nfs/dbraw/zinc/52/27/98/1066522798.db2.gz NLRGYQIBOLQIPV-IFMALSPDSA-N 1 0 453.635 3.218 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC(C)(C)c1ccccc1F ZINC001302095706 1066525590 /nfs/dbraw/zinc/52/55/90/1066525590.db2.gz WFKVAJWCPBVDLG-HXUWFJFHSA-N 1 0 489.636 3.420 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCSC1(C)C ZINC001302095741 1066525774 /nfs/dbraw/zinc/52/57/74/1066525774.db2.gz WNQGWXLARYPJQP-XUVXKRRUSA-N 1 0 481.707 3.223 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1nc(C(C)C)cs1 ZINC001302096233 1066526446 /nfs/dbraw/zinc/52/64/46/1066526446.db2.gz YGASSHHYKQRSIW-MOPGFXCFSA-N 1 0 492.690 3.320 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001302096765 1066527883 /nfs/dbraw/zinc/52/78/83/1066527883.db2.gz IPSWZKLIPOCOPR-BKSPAHHJSA-N 1 0 481.682 3.144 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001302098431 1066530744 /nfs/dbraw/zinc/53/07/44/1066530744.db2.gz PMCCERLCEOCLJA-KURKYZTESA-N 1 0 463.545 3.034 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3csc(C)n3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001301662195 1066533701 /nfs/dbraw/zinc/53/37/01/1066533701.db2.gz DVNXPXWLVLOGOJ-OAQYLSRUSA-N 1 0 473.691 3.060 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001301662732 1066535097 /nfs/dbraw/zinc/53/50/97/1066535097.db2.gz DHAYHVHXBFEBQD-FQEVSTJZSA-N 1 0 472.609 3.175 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301662921 1066535214 /nfs/dbraw/zinc/53/52/14/1066535214.db2.gz SULDQJLSUUFHIH-DQEYMECFSA-N 1 0 466.674 3.488 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301662922 1066535229 /nfs/dbraw/zinc/53/52/29/1066535229.db2.gz SULDQJLSUUFHIH-JWQCQUIFSA-N 1 0 466.674 3.488 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301663163 1066536128 /nfs/dbraw/zinc/53/61/28/1066536128.db2.gz GSIIRWFMXHQHLS-UNMCSNQZSA-N 1 0 486.636 3.421 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001301663319 1066536514 /nfs/dbraw/zinc/53/65/14/1066536514.db2.gz VBVSKFXAFODUQY-UKILVPOCSA-N 1 0 492.672 3.056 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCO[C@H](c3ccccc3)C2)n1CC[NH+]1CCC(C)CC1 ZINC001302103567 1066537515 /nfs/dbraw/zinc/53/75/15/1066537515.db2.gz BIJVQFCEMCKMOW-GMAHTHKFSA-N 1 0 457.619 3.312 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCS[C@@H](C(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302105318 1066540184 /nfs/dbraw/zinc/54/01/84/1066540184.db2.gz NJCAEKHPVQJRET-OPYAIIAOSA-N 1 0 457.710 3.017 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001301666958 1066544568 /nfs/dbraw/zinc/54/45/68/1066544568.db2.gz YNQGCUBVSLNIMR-NZQKXSOJSA-N 1 0 487.718 3.449 20 0 JGADRO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)cc1 ZINC001301667230 1066545182 /nfs/dbraw/zinc/54/51/82/1066545182.db2.gz CFJKQEQLJSCOMF-UYAOXDASSA-N 1 0 459.363 3.464 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302110606 1066549592 /nfs/dbraw/zinc/54/95/92/1066549592.db2.gz FOZAICBHCJWVJC-FCHUYYIVSA-N 1 0 495.734 3.473 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCS[C@H](C)C2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001302110991 1066550541 /nfs/dbraw/zinc/55/05/41/1066550541.db2.gz HNAYVKWPZQWXHV-MOPGFXCFSA-N 1 0 460.648 3.255 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001302117003 1066556694 /nfs/dbraw/zinc/55/66/94/1066556694.db2.gz BMRMFRJCZPHMTC-IXDOHACOSA-N 1 0 479.613 3.464 20 0 JGADRO COCCN(C)c1nnc(-c2cccc(Br)c2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001301684445 1066567999 /nfs/dbraw/zinc/56/79/99/1066567999.db2.gz VUDZESXAYNKFRA-IRXDYDNUSA-N 1 0 466.424 3.290 20 0 JGADRO COCCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001301685068 1066568696 /nfs/dbraw/zinc/56/86/96/1066568696.db2.gz UCUXVBJPHXFHHM-UHFFFAOYSA-N 1 0 473.618 3.080 20 0 JGADRO CC(C)(C)Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CCc1cccnc1 ZINC001302132919 1066578057 /nfs/dbraw/zinc/57/80/57/1066578057.db2.gz SEXQMEXUNHITJI-UHFFFAOYSA-N 1 0 481.689 3.323 20 0 JGADRO CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001302136948 1066582394 /nfs/dbraw/zinc/58/23/94/1066582394.db2.gz WNWWETRMWWSEAS-OAQYLSRUSA-N 1 0 488.702 3.157 20 0 JGADRO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301695880 1066584081 /nfs/dbraw/zinc/58/40/81/1066584081.db2.gz HRIFCYUZFKGZRA-KDURUIRLSA-N 1 0 474.053 3.420 20 0 JGADRO 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Cc1ccoc1C(=O)NCCCn1c(C(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001304006550 1067049415 /nfs/dbraw/zinc/04/94/15/1067049415.db2.gz YLKRACBLUXFAPS-FGZHOGPDSA-N 1 0 485.677 3.118 20 0 JGADRO CC(C)C(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001302450937 1067051765 /nfs/dbraw/zinc/05/17/65/1067051765.db2.gz FAXSXZYTJHWUHJ-FQEVSTJZSA-N 1 0 472.609 3.223 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1C ZINC001304009417 1067051833 /nfs/dbraw/zinc/05/18/33/1067051833.db2.gz CHFLJOBWUGAOAJ-YGRUTGNNSA-N 1 0 495.672 3.431 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@@H+]2C2CC2)c1C ZINC001304011244 1067053695 /nfs/dbraw/zinc/05/36/95/1067053695.db2.gz QUOJWMQCYJBMDO-NRFANRHFSA-N 1 0 481.645 3.125 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC001304011477 1067054238 /nfs/dbraw/zinc/05/42/38/1067054238.db2.gz SSBRDYAIDMZUPU-FPOVZHCZSA-N 1 0 495.672 3.326 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1C ZINC001304011739 1067055012 /nfs/dbraw/zinc/05/50/12/1067055012.db2.gz YASILSZPRBSHIB-QHCPKHFHSA-N 1 0 495.672 3.180 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([NH+](C)C)CCCCC1 ZINC001302453348 1067055880 /nfs/dbraw/zinc/05/58/80/1067055880.db2.gz XHTGLGBSWXDHIR-UHFFFAOYSA-N 1 0 470.618 3.147 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304015997 1067059151 /nfs/dbraw/zinc/05/91/51/1067059151.db2.gz SGDGZGJUYXZIEC-HFZDXXHNSA-N 1 0 481.645 3.088 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001302458849 1067061961 /nfs/dbraw/zinc/06/19/61/1067061961.db2.gz IXJJUEURGRMHFE-HSZRJFAPSA-N 1 0 467.662 3.269 20 0 JGADRO CS(=O)(=O)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001302459555 1067062442 /nfs/dbraw/zinc/06/24/42/1067062442.db2.gz PZAWTIAUSGRKPO-FQEVSTJZSA-N 1 0 480.078 3.269 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1C ZINC001304020309 1067064317 /nfs/dbraw/zinc/06/43/17/1067064317.db2.gz SQRFKFIIALMMNH-QKNQBKEWSA-N 1 0 454.619 3.186 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[NH+]1CCCCCC1 ZINC001302461246 1067064218 /nfs/dbraw/zinc/06/42/18/1067064218.db2.gz TZTMGRDIORKQFU-UHFFFAOYSA-N 1 0 465.646 3.435 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001304020310 1067064515 /nfs/dbraw/zinc/06/45/15/1067064515.db2.gz SQRFKFIIALMMNH-SFHLNBCPSA-N 1 0 454.619 3.186 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CC(C)(C)C[NH+](C)C)c1C ZINC001304022472 1067066678 /nfs/dbraw/zinc/06/66/78/1067066678.db2.gz DBNGWSRFUJKOBN-FQEVSTJZSA-N 1 0 493.656 3.279 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCC[N@@H+](C)C(C)C)c1C ZINC001304023344 1067068622 /nfs/dbraw/zinc/06/86/22/1067068622.db2.gz LZBNCOBKVKOONM-QFQXNSOFSA-N 1 0 468.646 3.482 20 0 JGADRO CC(C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001302466226 1067069901 /nfs/dbraw/zinc/06/99/01/1067069901.db2.gz DOBNLFRXYUBVNN-NRFANRHFSA-N 1 0 453.635 3.205 20 0 JGADRO CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001302467360 1067070860 /nfs/dbraw/zinc/07/08/60/1067070860.db2.gz ACELGKXIVUQKFC-YLJYHZDGSA-N 1 0 452.382 3.499 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[N@@H+](C)C(C)C)c1C ZINC001304025655 1067071586 /nfs/dbraw/zinc/07/15/86/1067071586.db2.gz XPGKAHLMKAPGBO-HXUWFJFHSA-N 1 0 477.675 3.389 20 0 JGADRO CC(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001302470672 1067074689 /nfs/dbraw/zinc/07/46/89/1067074689.db2.gz USDCLBQGBVLWST-XZOQPEGZSA-N 1 0 468.646 3.393 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001304028427 1067075597 /nfs/dbraw/zinc/07/55/97/1067075597.db2.gz FNIRQFHOFJHTNI-FGZHOGPDSA-N 1 0 468.646 3.482 20 0 JGADRO CC(C)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001302477280 1067078300 /nfs/dbraw/zinc/07/83/00/1067078300.db2.gz JOMVXIXTYYRLRH-JOCHJYFZSA-N 1 0 474.694 3.283 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(c4cnn(C)c4)CC3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304030893 1067078743 /nfs/dbraw/zinc/07/87/43/1067078743.db2.gz QZJKSYRNBSEFTI-FPOVZHCZSA-N 1 0 466.634 3.045 20 0 JGADRO CC(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001302479431 1067080180 /nfs/dbraw/zinc/08/01/80/1067080180.db2.gz ROKOSLZMUHJSED-PWRODBHTSA-N 1 0 460.667 3.034 20 0 JGADRO CC1=C(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001304032254 1067081522 /nfs/dbraw/zinc/08/15/22/1067081522.db2.gz UEMFKMOFSGPNGU-SFHVURJKSA-N 1 0 463.424 3.429 20 0 JGADRO CC(C)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001302485430 1067084916 /nfs/dbraw/zinc/08/49/16/1067084916.db2.gz LOIBDHSKLJWTIY-UHFFFAOYSA-N 1 0 486.636 3.423 20 0 JGADRO Cc1nc(CN2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)oc1C ZINC001304041595 1067085457 /nfs/dbraw/zinc/08/54/57/1067085457.db2.gz LXTZOJCAPLYMSV-FGZHOGPDSA-N 1 0 473.666 3.075 20 0 JGADRO Cc1nc(CN2CCN(c3nnc([C@H]4CCCO4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)oc1C ZINC001304045786 1067088378 /nfs/dbraw/zinc/08/83/78/1067088378.db2.gz SYFZJUDQKDBAOS-NHCUHLMSSA-N 1 0 459.639 3.033 20 0 JGADRO Cc1nc(CCn2c(-c3cccnc3)nnc2N2CC[NH+](CCOC(C)C)CC2)sc1C ZINC001304047026 1067090478 /nfs/dbraw/zinc/09/04/78/1067090478.db2.gz JXYBVKYDSYEZPG-UHFFFAOYSA-N 1 0 455.632 3.203 20 0 JGADRO Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)C)CC2)sc1C ZINC001304049321 1067091301 /nfs/dbraw/zinc/09/13/01/1067091301.db2.gz ILAOHKDIGMXUBO-UHFFFAOYSA-N 1 0 473.672 3.116 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001302494995 1067093986 /nfs/dbraw/zinc/09/39/86/1067093986.db2.gz CAQGKIFNJZFCSP-OFVILXPXSA-N 1 0 459.610 3.431 20 0 JGADRO CC[NH+]1CCN(C2CN(C(=O)[C@@H](Oc3cccc(Br)c3)c3ccccc3)C2)CC1 ZINC001304054080 1067095208 /nfs/dbraw/zinc/09/52/08/1067095208.db2.gz CWOOAKIHHRISSO-QFIPXVFZSA-N 1 0 458.400 3.418 20 0 JGADRO CC(C)[C@](C)(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302498188 1067096539 /nfs/dbraw/zinc/09/65/39/1067096539.db2.gz QLSHSZUYSUJIMD-RXFWQSSRSA-N 1 0 490.693 3.474 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)F)n1C[C@H](C)C[NH+]1CCCC1 ZINC001304057216 1067097170 /nfs/dbraw/zinc/09/71/70/1067097170.db2.gz KDBNUBBEMIYALE-MRXNPFEDSA-N 1 0 483.633 3.370 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@H](C)[NH+](C)C ZINC001304057703 1067099340 /nfs/dbraw/zinc/09/93/40/1067099340.db2.gz ZUJBFKPXZGOWGB-WMZOPIPTSA-N 1 0 461.680 3.369 20 0 JGADRO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)cc2)c1 ZINC001304060742 1067104174 /nfs/dbraw/zinc/10/41/74/1067104174.db2.gz RLRNILKOMASASH-QFIPXVFZSA-N 1 0 457.596 3.087 20 0 JGADRO Cc1n[nH]cc1CCCn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001304064589 1067108701 /nfs/dbraw/zinc/10/87/01/1067108701.db2.gz UNQLHYZPHVVKSS-UHFFFAOYSA-N 1 0 451.619 3.484 20 0 JGADRO Cc1n[nH]cc1CCCn1c(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC001304064504 1067108729 /nfs/dbraw/zinc/10/87/29/1067108729.db2.gz QLPCNMKGKVXVIK-UHFFFAOYSA-N 1 0 478.689 3.494 20 0 JGADRO Cc1ccsc1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001304068890 1067113299 /nfs/dbraw/zinc/11/32/99/1067113299.db2.gz VHBSCESUKDVVQK-UHFFFAOYSA-N 1 0 473.668 3.492 20 0 JGADRO C[S@@](=O)C1(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001302508800 1067113484 /nfs/dbraw/zinc/11/34/84/1067113484.db2.gz TZSUZKHYCNYGIC-JGCGQSQUSA-N 1 0 458.676 3.123 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001302509832 1067116670 /nfs/dbraw/zinc/11/66/70/1067116670.db2.gz HOBHOEGFBHTUSJ-GIWBLDEGSA-N 1 0 474.694 3.424 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001302510683 1067119508 /nfs/dbraw/zinc/11/95/08/1067119508.db2.gz NIXDSHNAOOVWEJ-UNMCSNQZSA-N 1 0 474.694 3.281 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C2CCCCC2)cnn1C ZINC001304078921 1067123746 /nfs/dbraw/zinc/12/37/46/1067123746.db2.gz MIJOSEOBGHMCLY-RUZDIDTESA-N 1 0 473.666 3.262 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O)[NH+]1CCCC1 ZINC001302511977 1067124234 /nfs/dbraw/zinc/12/42/34/1067124234.db2.gz AGOHFYSIKAFSAS-HSZRJFAPSA-N 1 0 484.670 3.485 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001302512482 1067125002 /nfs/dbraw/zinc/12/50/02/1067125002.db2.gz CSPMSXGLYWUOPN-PMACEKPBSA-N 1 0 466.051 3.342 20 0 JGADRO Cc1occc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001304082175 1067128667 /nfs/dbraw/zinc/12/86/67/1067128667.db2.gz WMSOHPRJHSVGKB-QFBILLFUSA-N 1 0 492.671 3.325 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCOCC2)cnn1C ZINC001304084382 1067130862 /nfs/dbraw/zinc/13/08/62/1067130862.db2.gz XCFQFNPDAUYBJJ-UHFFFAOYSA-N 1 0 458.010 3.389 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+]1CCCC1 ZINC001302514739 1067131813 /nfs/dbraw/zinc/13/18/13/1067131813.db2.gz SACIXXFUEWHVAV-MZKRTTBSSA-N 1 0 488.702 3.408 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CC=CCC2)cnn1C ZINC001304089033 1067132753 /nfs/dbraw/zinc/13/27/53/1067132753.db2.gz MWDRSNHRKHDLHS-OAQYLSRUSA-N 1 0 498.676 3.333 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001302515140 1067132792 /nfs/dbraw/zinc/13/27/92/1067132792.db2.gz IRNVZCJWBPFDKO-PGRDOPGGSA-N 1 0 472.659 3.416 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCc1cnccn1)[NH+]1CCOCC1 ZINC001302515519 1067133914 /nfs/dbraw/zinc/13/39/14/1067133914.db2.gz YLNDNJAAYXBXSV-QFIPXVFZSA-N 1 0 470.021 3.424 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001302515932 1067135181 /nfs/dbraw/zinc/13/51/81/1067135181.db2.gz OQZVPBMPHSECPW-LEWJYISDSA-N 1 0 486.665 3.293 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC001302515931 1067135223 /nfs/dbraw/zinc/13/52/23/1067135223.db2.gz OQTXTVDDJIIALQ-XXBNENTESA-N 1 0 497.669 3.456 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)cnn1C ZINC001304093941 1067137473 /nfs/dbraw/zinc/13/74/73/1067137473.db2.gz YAFIMKMXAHNRBP-UHFFFAOYSA-N 1 0 472.037 3.047 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302518573 1067137842 /nfs/dbraw/zinc/13/78/42/1067137842.db2.gz HDTKTSMVDIBRCD-LJQANCHMSA-N 1 0 485.526 3.335 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302518750 1067137928 /nfs/dbraw/zinc/13/79/28/1067137928.db2.gz IATCIDSYJDRSIA-HKUYNNGSSA-N 1 0 453.557 3.466 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302518295 1067137973 /nfs/dbraw/zinc/13/79/73/1067137973.db2.gz FMNOSJCAUKBPTG-UNMCSNQZSA-N 1 0 499.660 3.190 20 0 JGADRO CSC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001302518510 1067137980 /nfs/dbraw/zinc/13/79/80/1067137980.db2.gz KFEVXTWCRYLDLG-UHFFFAOYSA-N 1 0 457.692 3.477 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC001302519195 1067138506 /nfs/dbraw/zinc/13/85/06/1067138506.db2.gz LWFIADNYIWLQJQ-QFIPXVFZSA-N 1 0 455.651 3.099 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302519207 1067138920 /nfs/dbraw/zinc/13/89/20/1067138920.db2.gz MDOPGEWWCWOFNN-IRLDBZIGSA-N 1 0 499.660 3.048 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccccc3F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C ZINC001304098045 1067140042 /nfs/dbraw/zinc/14/00/42/1067140042.db2.gz ITXWGQNQWNWZQJ-RTBURBONSA-N 1 0 485.608 3.174 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302521408 1067140764 /nfs/dbraw/zinc/14/07/64/1067140764.db2.gz XUNTWWBIMNATSF-SIKLNZKXSA-N 1 0 484.567 3.160 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302521628 1067141118 /nfs/dbraw/zinc/14/11/18/1067141118.db2.gz ZEKHDZYGFIAJKC-FQEVSTJZSA-N 1 0 467.584 3.478 20 0 JGADRO CSC(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001302522189 1067141813 /nfs/dbraw/zinc/14/18/13/1067141813.db2.gz RVDCUGQITFCECT-UHFFFAOYSA-N 1 0 479.720 3.158 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[NH+]1CCCC1 ZINC001302522304 1067142192 /nfs/dbraw/zinc/14/21/92/1067142192.db2.gz DURKZGMJSGEKDS-HVGRUFOJSA-N 1 0 459.660 3.276 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302522893 1067142781 /nfs/dbraw/zinc/14/27/81/1067142781.db2.gz GGWDYTMKFUQQSA-RBUKOAKNSA-N 1 0 491.624 3.469 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302523051 1067143313 /nfs/dbraw/zinc/14/33/13/1067143313.db2.gz HJJLNTYZZQNAHH-FCGDIQPGSA-N 1 0 473.634 3.028 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)N1CCOCC1 ZINC001302523378 1067144132 /nfs/dbraw/zinc/14/41/32/1067144132.db2.gz JENADBRDTQCUTM-RPWUZVMVSA-N 1 0 476.710 3.086 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCCC1 ZINC001302523982 1067145169 /nfs/dbraw/zinc/14/51/69/1067145169.db2.gz AVDFAEGZSDEVKD-QHCPKHFHSA-N 1 0 461.614 3.120 20 0 JGADRO Cc1c(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCOC(C)C)CC2)cnn1C ZINC001304104535 1067146060 /nfs/dbraw/zinc/14/60/60/1067146060.db2.gz GSSAJQVTZIQAKN-UHFFFAOYSA-N 1 0 458.010 3.236 20 0 JGADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+]1CCCC1 ZINC001302524780 1067146560 /nfs/dbraw/zinc/14/65/60/1067146560.db2.gz PMMQHVFUNQZVPU-QFIPXVFZSA-N 1 0 467.662 3.345 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302525245 1067147335 /nfs/dbraw/zinc/14/73/35/1067147335.db2.gz LYCADPPLIGCNJB-VXKWHMMOSA-N 1 0 483.661 3.488 20 0 JGADRO Cc1c2ccccc2oc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001304106405 1067148917 /nfs/dbraw/zinc/14/89/17/1067148917.db2.gz VNVBWRGNNZBDOZ-SFHVURJKSA-N 1 0 488.658 3.302 20 0 JGADRO Cc1c2ccccc2oc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001304106404 1067148965 /nfs/dbraw/zinc/14/89/65/1067148965.db2.gz VNVBWRGNNZBDOZ-GOSISDBHSA-N 1 0 488.658 3.302 20 0 JGADRO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001302525790 1067149159 /nfs/dbraw/zinc/14/91/59/1067149159.db2.gz GFNWDBNHSCOSPK-OALUTQOASA-N 1 0 494.706 3.403 20 0 JGADRO CSC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001302525783 1067149290 /nfs/dbraw/zinc/14/92/90/1067149290.db2.gz GBCSOIKKKQDCKX-PMACEKPBSA-N 1 0 483.748 3.414 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302525973 1067149964 /nfs/dbraw/zinc/14/99/64/1067149964.db2.gz UANGTSQBUULRJG-NJYVYQBISA-N 1 0 476.666 3.396 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCCC1 ZINC001302527083 1067153040 /nfs/dbraw/zinc/15/30/40/1067153040.db2.gz YCNUEUVHZCOWHU-QFIPXVFZSA-N 1 0 456.610 3.220 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)N1CCOCC1 ZINC001302527165 1067153103 /nfs/dbraw/zinc/15/31/03/1067153103.db2.gz ZFKLPSUPTZGMQS-DEOSSOPVSA-N 1 0 483.705 3.179 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001302527522 1067153441 /nfs/dbraw/zinc/15/34/41/1067153441.db2.gz YDXLHWSPDPRKQY-NJYVYQBISA-N 1 0 460.667 3.034 20 0 JGADRO Cc1c(Cn2c(CC(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)cnn1CC(C)C ZINC001304117170 1067157606 /nfs/dbraw/zinc/15/76/06/1067157606.db2.gz RFSDOXLSYIGTSQ-UHFFFAOYSA-N 1 0 457.667 3.234 20 0 JGADRO CSC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001302530576 1067159573 /nfs/dbraw/zinc/15/95/73/1067159573.db2.gz CHMFQDVDSWVXFU-UHFFFAOYSA-N 1 0 468.675 3.203 20 0 JGADRO CC(C)c1ccnc(N2CCN(c3nnc(Cc4ccc(F)cc4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001302535176 1067164972 /nfs/dbraw/zinc/16/49/72/1067164972.db2.gz DFOKLUSTTHOOPV-IBGZPJMESA-N 1 0 466.609 3.198 20 0 JGADRO CS[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001302541145 1067173198 /nfs/dbraw/zinc/17/31/98/1067173198.db2.gz MKNZFJFRVOLVOL-QGZVFWFLSA-N 1 0 471.656 3.103 20 0 JGADRO CC(C)c1csc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC001302542431 1067174095 /nfs/dbraw/zinc/17/40/95/1067174095.db2.gz UGEVZCVWSLUHNZ-SFHVURJKSA-N 1 0 459.664 3.414 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304136457 1067175379 /nfs/dbraw/zinc/17/53/79/1067175379.db2.gz OJLTYENZHDPFSJ-RJGXRXQPSA-N 1 0 498.672 3.363 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304138479 1067178883 /nfs/dbraw/zinc/17/88/83/1067178883.db2.gz FUFQEVVVJDAVSO-MHECFPHRSA-N 1 0 488.036 3.125 20 0 JGADRO CS[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001302547329 1067182870 /nfs/dbraw/zinc/18/28/70/1067182870.db2.gz HLPQFHGWROWJIB-UYAOXDASSA-N 1 0 492.715 3.012 20 0 JGADRO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001302548637 1067185387 /nfs/dbraw/zinc/18/53/87/1067185387.db2.gz RYGQWXALAUQPJZ-SJLPKXTDSA-N 1 0 496.523 3.392 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(-c4ccccc4F)n3CC[N@@H+](C)C(C)C)CC2)no1 ZINC001304145724 1067188375 /nfs/dbraw/zinc/18/83/75/1067188375.db2.gz IAHOCLYNMBUVTM-UHFFFAOYSA-N 1 0 469.565 3.120 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(-c4cccn4C)n3CC(C)(C)C[NH+](C)C)CC2)c(C)o1 ZINC001304146211 1067189533 /nfs/dbraw/zinc/18/95/33/1067189533.db2.gz OYHHZPJXCQHUQB-UHFFFAOYSA-N 1 0 481.645 3.480 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(C4CCC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)no1 ZINC001304147142 1067192021 /nfs/dbraw/zinc/19/20/21/1067192021.db2.gz ODDMPYQGGOUCAS-FQEVSTJZSA-N 1 0 457.623 3.217 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(Cc4ccsc4)n3C[C@H](C)[NH+](C)C)CC2)c(C)o1 ZINC001304147467 1067193108 /nfs/dbraw/zinc/19/31/08/1067193108.db2.gz SUFKQMBYZIFMPM-INIZCTEOSA-N 1 0 470.643 3.489 20 0 JGADRO CC(C)c1ncc(CN(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCCCC2)cn1 ZINC001302558112 1067198252 /nfs/dbraw/zinc/19/82/52/1067198252.db2.gz VYUQCOPJKPKIMR-UHFFFAOYSA-N 1 0 468.650 3.215 20 0 JGADRO Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)o1 ZINC001304152345 1067199326 /nfs/dbraw/zinc/19/93/26/1067199326.db2.gz MNEMJSGLRDAPFZ-NVQXNPDNSA-N 1 0 472.678 3.199 20 0 JGADRO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302560426 1067201077 /nfs/dbraw/zinc/20/10/77/1067201077.db2.gz DOWZPYWXOOQVET-PQNGQFLHSA-N 1 0 484.714 3.308 20 0 JGADRO CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001302569268 1067208708 /nfs/dbraw/zinc/20/87/08/1067208708.db2.gz GUKREVAZHGGYDN-RTWAWAEBSA-N 1 0 480.579 3.375 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001304163968 1067211208 /nfs/dbraw/zinc/21/12/08/1067211208.db2.gz LFYYISASLKTYCR-QHCPKHFHSA-N 1 0 492.672 3.480 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001304163967 1067211235 /nfs/dbraw/zinc/21/12/35/1067211235.db2.gz LFYYISASLKTYCR-HSZRJFAPSA-N 1 0 492.672 3.480 20 0 JGADRO O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001304165414 1067212866 /nfs/dbraw/zinc/21/28/66/1067212866.db2.gz FYEVJFYVWYVDHB-FQEVSTJZSA-N 1 0 457.521 3.069 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001304169621 1067217759 /nfs/dbraw/zinc/21/77/59/1067217759.db2.gz HOCAWWXEFRDTPR-BWAGFHJFSA-N 1 0 468.646 3.261 20 0 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Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001304182568 1067232506 /nfs/dbraw/zinc/23/25/06/1067232506.db2.gz QJPRSILEMWYSEY-UHFFFAOYSA-N 1 0 498.672 3.080 20 0 JGADRO CC(C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001302594667 1067232523 /nfs/dbraw/zinc/23/25/23/1067232523.db2.gz DXGHATLJBOXWAX-DEOSSOPVSA-N 1 0 454.663 3.472 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCNC(=O)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001304183641 1067234303 /nfs/dbraw/zinc/23/43/03/1067234303.db2.gz XNKZMJWSHPGKBP-SZPZYZBQSA-N 1 0 468.646 3.168 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001304185036 1067235750 /nfs/dbraw/zinc/23/57/50/1067235750.db2.gz SBKJHOBQFZHHSO-SZPZYZBQSA-N 1 0 489.686 3.077 20 0 JGADRO CC(C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001302604563 1067240104 /nfs/dbraw/zinc/24/01/04/1067240104.db2.gz WMBPJZVWEQOCJG-UHFFFAOYSA-N 1 0 469.721 3.167 20 0 JGADRO Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001304191596 1067241778 /nfs/dbraw/zinc/24/17/78/1067241778.db2.gz DIDQPYSVSOBWKW-GOSISDBHSA-N 1 0 470.643 3.014 20 0 JGADRO CSC1(Cn2c(-c3cccc(C)n3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC[NH+](C)CC1 ZINC001302607829 1067241780 /nfs/dbraw/zinc/24/17/80/1067241780.db2.gz BBUOMGNIPNNWER-FQEVSTJZSA-N 1 0 485.702 3.169 20 0 JGADRO Cc1cc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2n1 ZINC001304195785 1067245554 /nfs/dbraw/zinc/24/55/54/1067245554.db2.gz GUWJBUJZIVESFM-QGZVFWFLSA-N 1 0 461.536 3.436 20 0 JGADRO Cc1cc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CC=CCC2)no1 ZINC001304198116 1067247725 /nfs/dbraw/zinc/24/77/25/1067247725.db2.gz AVYVDCNABCICJN-UHFFFAOYSA-N 1 0 460.380 3.241 20 0 JGADRO Cc1cccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001304198054 1067247827 /nfs/dbraw/zinc/24/78/27/1067247827.db2.gz KMFXYADIBCJQTP-XLIONFOSSA-N 1 0 476.672 3.198 20 0 JGADRO Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+]2CCCO[C@H](C)C2)no1 ZINC001304199329 1067249628 /nfs/dbraw/zinc/24/96/28/1067249628.db2.gz YBGZYTAKYVSBQE-MRXNPFEDSA-N 1 0 492.422 3.469 20 0 JGADRO CSC1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](CC(N)=O)C2)CC[NH+](C)CC1 ZINC001302616330 1067249908 /nfs/dbraw/zinc/24/99/08/1067249908.db2.gz CTAVOFBZUOTQRW-KRWDZBQOSA-N 1 0 492.640 3.066 20 0 JGADRO CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001302616501 1067249958 /nfs/dbraw/zinc/24/99/58/1067249958.db2.gz DUWKLIOPYQYETP-RXVVDRJESA-N 1 0 481.645 3.298 20 0 JGADRO CSC1(Cn2c(Cc3ccccc3F)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC[NH+](C)CC1 ZINC001302616559 1067249965 /nfs/dbraw/zinc/24/99/65/1067249965.db2.gz DUZVLXZPDUWETA-FQEVSTJZSA-N 1 0 488.677 3.140 20 0 JGADRO CSC1(Cn2c(CC(C)C)nnc2N2CCN(c3cccc(F)c3)C(=O)C2)CC[NH+](C)CC1 ZINC001302616960 1067250427 /nfs/dbraw/zinc/25/04/27/1067250427.db2.gz JZRCPVXIAFWTQE-UHFFFAOYSA-N 1 0 474.650 3.296 20 0 JGADRO Cc1cc(CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC[NH+](C)C)c2)no1 ZINC001304204166 1067251054 /nfs/dbraw/zinc/25/10/54/1067251054.db2.gz FMJHREGPKJBRTA-HXUWFJFHSA-N 1 0 454.575 3.094 20 0 JGADRO CSC1(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC(=O)NC(C)(C)C)CC[NH+](C)CC1 ZINC001302617951 1067251335 /nfs/dbraw/zinc/25/13/35/1067251335.db2.gz RLDFHQQFVKXVEC-UHFFFAOYSA-N 1 0 494.656 3.325 20 0 JGADRO CSC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C(N)=O)CC2)CC[NH+](C)CC1 ZINC001302619058 1067251842 /nfs/dbraw/zinc/25/18/42/1067251842.db2.gz XVQZORNUZPROTH-UHFFFAOYSA-N 1 0 477.078 3.051 20 0 JGADRO Cc1cccc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304206449 1067252229 /nfs/dbraw/zinc/25/22/29/1067252229.db2.gz WRXMBHPFBJDXPW-HSZRJFAPSA-N 1 0 461.614 3.228 20 0 JGADRO CSC1(Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](OCC(C)C)C2)CC[NH+](C)CC1 ZINC001302621770 1067252415 /nfs/dbraw/zinc/25/24/15/1067252415.db2.gz DCBBBFISWOCFJM-OAQYLSRUSA-N 1 0 458.676 3.343 20 0 JGADRO 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CC(C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC(=O)Nc1ccccc1 ZINC001302632699 1067261465 /nfs/dbraw/zinc/26/14/65/1067261465.db2.gz HYBVNJANTNVEDJ-JOCHJYFZSA-N 1 0 453.635 3.035 20 0 JGADRO CC(C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001302633093 1067262133 /nfs/dbraw/zinc/26/21/33/1067262133.db2.gz LCIYDXFSOOGWFM-GOSISDBHSA-N 1 0 460.696 3.204 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001304232116 1067269343 /nfs/dbraw/zinc/26/93/43/1067269343.db2.gz CBRPHDJODIFEQE-OAQYLSRUSA-N 1 0 489.064 3.451 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[NH+]1CCCCC1 ZINC001304232596 1067270035 /nfs/dbraw/zinc/27/00/35/1067270035.db2.gz STIHDZFHCUMVIE-FQEVSTJZSA-N 1 0 489.064 3.404 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[NH+]1CCCCC1 ZINC001304232598 1067270200 /nfs/dbraw/zinc/27/02/00/1067270200.db2.gz STIHDZFHCUMVIE-HXUWFJFHSA-N 1 0 489.064 3.404 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302647382 1067275913 /nfs/dbraw/zinc/27/59/13/1067275913.db2.gz FGZNCWRGMZRUSH-PMACEKPBSA-N 1 0 478.682 3.378 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001302651782 1067278007 /nfs/dbraw/zinc/27/80/07/1067278007.db2.gz DQSPJIAYGPDRCS-LEWJYISDSA-N 1 0 468.712 3.164 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302652578 1067278953 /nfs/dbraw/zinc/27/89/53/1067278953.db2.gz MKSDYRNDRRBWQF-HXUWFJFHSA-N 1 0 462.683 3.016 20 0 JGADRO Cc1cc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)CC2)nc(C(C)C)n1 ZINC001304245309 1067280702 /nfs/dbraw/zinc/28/07/02/1067280702.db2.gz KNUNVKVDUCSJTP-OAQYLSRUSA-N 1 0 484.693 3.308 20 0 JGADRO CSc1cccc(F)c1Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001302653944 1067281315 /nfs/dbraw/zinc/28/13/15/1067281315.db2.gz YTYXCVRZQGFTNT-UHFFFAOYSA-N 1 0 460.623 3.344 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001302654202 1067282023 /nfs/dbraw/zinc/28/20/23/1067282023.db2.gz DHHIYFSXGYYOCZ-HXUWFJFHSA-N 1 0 464.655 3.350 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302654293 1067282046 /nfs/dbraw/zinc/28/20/46/1067282046.db2.gz GBQBNLVXGWYCQP-LEWJYISDSA-N 1 0 478.682 3.380 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc(-c3ccc[nH]3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001304249875 1067285436 /nfs/dbraw/zinc/28/54/36/1067285436.db2.gz LDTDNVDURWHNRV-UHFFFAOYSA-N 1 0 451.619 3.123 20 0 JGADRO CSc1ccccc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302658695 1067286061 /nfs/dbraw/zinc/28/60/61/1067286061.db2.gz OFOHXJRBBKLLOP-XLIONFOSSA-N 1 0 494.731 3.367 20 0 JGADRO CSc1ccccc1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001302658714 1067286762 /nfs/dbraw/zinc/28/67/62/1067286762.db2.gz OODQBGDBRXFMBO-HXUWFJFHSA-N 1 0 486.686 3.373 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001304252512 1067287237 /nfs/dbraw/zinc/28/72/37/1067287237.db2.gz CUESUYOSGCOCHG-OAQYLSRUSA-N 1 0 489.686 3.268 20 0 JGADRO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001302662201 1067289329 /nfs/dbraw/zinc/28/93/29/1067289329.db2.gz PIDNHYQBTAZWQL-QHCPKHFHSA-N 1 0 489.686 3.328 20 0 JGADRO CS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC[NH+](C)C)C1 ZINC001302663536 1067290342 /nfs/dbraw/zinc/29/03/42/1067290342.db2.gz NFHXUWMLJDNKRS-NRFANRHFSA-N 1 0 474.675 3.447 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCOc3cccc(C)c3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001304258185 1067292836 /nfs/dbraw/zinc/29/28/36/1067292836.db2.gz KCOVSEZOQMFUBJ-RUZDIDTESA-N 1 0 483.686 3.401 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304259432 1067293742 /nfs/dbraw/zinc/29/37/42/1067293742.db2.gz YXLFYNDQYJAKOI-SZPZYZBQSA-N 1 0 498.672 3.112 20 0 JGADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC001302673221 1067298826 /nfs/dbraw/zinc/29/88/26/1067298826.db2.gz KTLVLKRSARYUSN-GOTSBHOMSA-N 1 0 453.583 3.419 20 0 JGADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC001302673219 1067298971 /nfs/dbraw/zinc/29/89/71/1067298971.db2.gz KTLVLKRSARYUSN-DHIUTWEWSA-N 1 0 453.583 3.419 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1cc(Br)cs1 ZINC001302674982 1067300779 /nfs/dbraw/zinc/30/07/79/1067300779.db2.gz PUBCZQROWVRABV-UHFFFAOYSA-N 1 0 481.464 3.018 20 0 JGADRO CC(C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001302674838 1067300795 /nfs/dbraw/zinc/30/07/95/1067300795.db2.gz YEJHVYFFQONUQJ-DNQXCXABSA-N 1 0 481.689 3.261 20 0 JGADRO Cc1ccc(C(=O)NCCn2c(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)cc1 ZINC001304268794 1067302849 /nfs/dbraw/zinc/30/28/49/1067302849.db2.gz NDWOQVQZKIUDPU-FQEVSTJZSA-N 1 0 468.646 3.004 20 0 JGADRO 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CC(C)C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001302811624 1067399303 /nfs/dbraw/zinc/39/93/03/1067399303.db2.gz JHBUQWZXLHKVPS-IFMALSPDSA-N 1 0 476.691 3.029 20 0 JGADRO CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001302814615 1067401374 /nfs/dbraw/zinc/40/13/74/1067401374.db2.gz XXSQTNOFCCFXSM-JBACZVJFSA-N 1 0 456.660 3.472 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[NH+](C)C ZINC001302816424 1067403174 /nfs/dbraw/zinc/40/31/74/1067403174.db2.gz HFJMPOSAPSOUDW-INIZCTEOSA-N 1 0 465.528 3.100 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001304364946 1067403226 /nfs/dbraw/zinc/40/32/26/1067403226.db2.gz JMWCUQPZHSTXBU-PXNSSMCTSA-N 1 0 480.654 3.093 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)CC1)[NH+](C)C ZINC001302816905 1067403711 /nfs/dbraw/zinc/40/37/11/1067403711.db2.gz JLYCHXCRRJTRAV-HXUWFJFHSA-N 1 0 454.598 3.121 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)CC1)[NH+](C)C ZINC001302816904 1067403812 /nfs/dbraw/zinc/40/38/12/1067403812.db2.gz JLYCHXCRRJTRAV-FQEVSTJZSA-N 1 0 454.598 3.121 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001302817900 1067405129 /nfs/dbraw/zinc/40/51/29/1067405129.db2.gz GZRKJJPWNOCVHX-UPVQGACJSA-N 1 0 482.673 3.499 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001302817901 1067405152 /nfs/dbraw/zinc/40/51/52/1067405152.db2.gz GZRKJJPWNOCVHX-VWNXMTODSA-N 1 0 482.673 3.499 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@H](C)[C@@H]1C)[NH+](C)C ZINC001302818065 1067405715 /nfs/dbraw/zinc/40/57/15/1067405715.db2.gz MBMHDFONDSBMOJ-IPMKNSEASA-N 1 0 483.686 3.499 20 0 JGADRO CSCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001302818292 1067406065 /nfs/dbraw/zinc/40/60/65/1067406065.db2.gz LEAMOEXBNUAGLJ-UHFFFAOYSA-N 1 0 477.748 3.382 20 0 JGADRO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 ZINC001302819102 1067406599 /nfs/dbraw/zinc/40/65/99/1067406599.db2.gz VXDGCDYRJQUKLY-FPOVZHCZSA-N 1 0 451.336 3.233 20 0 JGADRO Cc1ccc(CSCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001304366942 1067406651 /nfs/dbraw/zinc/40/66/51/1067406651.db2.gz LXFQRVHEDQYRTC-OAQYLSRUSA-N 1 0 456.660 3.249 20 0 JGADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+](C)C ZINC001302820109 1067407436 /nfs/dbraw/zinc/40/74/36/1067407436.db2.gz DPCKYOSUBSIWCQ-FDDCHVKYSA-N 1 0 463.026 3.189 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1)[NH+](C)C ZINC001302820377 1067407890 /nfs/dbraw/zinc/40/78/90/1067407890.db2.gz PGWGGCKNRLYLPY-QHCPKHFHSA-N 1 0 467.662 3.222 20 0 JGADRO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001304368138 1067408476 /nfs/dbraw/zinc/40/84/76/1067408476.db2.gz XFAZMPGVSJOEBY-JOCHJYFZSA-N 1 0 468.577 3.463 20 0 JGADRO CC(C)C[C@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001302821181 1067409205 /nfs/dbraw/zinc/40/92/05/1067409205.db2.gz IAMBEOJAGQWBNJ-NFBKMPQASA-N 1 0 451.681 3.002 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001302821349 1067409688 /nfs/dbraw/zinc/40/96/88/1067409688.db2.gz WZJODKHYAGHFMD-OTWHNJEPSA-N 1 0 472.638 3.096 20 0 JGADRO CC(C)C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1)[NH+](C)C ZINC001302821514 1067410019 /nfs/dbraw/zinc/41/00/19/1067410019.db2.gz ILRKWDVUIWJGAG-FGZHOGPDSA-N 1 0 454.619 3.071 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001302822018 1067410503 /nfs/dbraw/zinc/41/05/03/1067410503.db2.gz ZVCJNHBASLNGGX-HSZRJFAPSA-N 1 0 470.637 3.433 20 0 JGADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1)[NH+](C)C ZINC001302823506 1067412521 /nfs/dbraw/zinc/41/25/21/1067412521.db2.gz SWHYCYJELJATLA-UGKGYDQZSA-N 1 0 490.599 3.233 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@H](c2ccccc2)C1)[NH+](C)C ZINC001302824109 1067412828 /nfs/dbraw/zinc/41/28/28/1067412828.db2.gz XJOKHHYYYNNMMF-PKTZIBPZSA-N 1 0 468.646 3.345 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001302824403 1067413300 /nfs/dbraw/zinc/41/33/00/1067413300.db2.gz JUKJLUSXYXYEJF-NNXSRULWSA-N 1 0 474.694 3.374 20 0 JGADRO CC(C)C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001302824313 1067413393 /nfs/dbraw/zinc/41/33/93/1067413393.db2.gz ZBCHOFQBMPKQFS-NRFANRHFSA-N 1 0 482.608 3.089 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O)[NH+](C)C ZINC001302824866 1067414289 /nfs/dbraw/zinc/41/42/89/1067414289.db2.gz VKOYSOCFIHUIOF-FHWLQOOXSA-N 1 0 479.670 3.027 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2CC2CC[NH+](C3CC3)CC2)cc1C ZINC001304375024 1067414353 /nfs/dbraw/zinc/41/43/53/1067414353.db2.gz ITJKVNOLYDOXSN-UHFFFAOYSA-N 1 0 495.672 3.230 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCCC[NH+]2CCC(C)CC2)cc1C ZINC001304377799 1067420782 /nfs/dbraw/zinc/42/07/82/1067420782.db2.gz MYXUESUSIBCHBW-MHZLTWQESA-N 1 0 495.672 3.361 20 0 JGADRO CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@H]3CCC[C@@H]3[NH+]3CCC(O)CC3)cc2)CC1 ZINC001302833720 1067421396 /nfs/dbraw/zinc/42/13/96/1067421396.db2.gz CCBDACCXIWBKPT-ZEQRLZLVSA-N 1 0 456.631 3.136 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302834703 1067421786 /nfs/dbraw/zinc/42/17/86/1067421786.db2.gz CTSPUJZIASZRLT-SFTDATJTSA-N 1 0 454.667 3.492 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1C ZINC001304378539 1067422361 /nfs/dbraw/zinc/42/23/61/1067422361.db2.gz NWJHMQGFYXCGOY-FUDKSRODSA-N 1 0 468.646 3.476 20 0 JGADRO O=C(N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001302835082 1067422437 /nfs/dbraw/zinc/42/24/37/1067422437.db2.gz NPBWEDVMIUTQOL-LSDHHAIUSA-N 1 0 451.283 3.455 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC4(CCCC4)C3)n2CCOCC[NH+](C)C)cc1C ZINC001304378612 1067422944 /nfs/dbraw/zinc/42/29/44/1067422944.db2.gz DNPONPHXENHXRG-UHFFFAOYSA-N 1 0 454.619 3.496 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1O ZINC001302837791 1067423914 /nfs/dbraw/zinc/42/39/14/1067423914.db2.gz CNEJVBHZJJZRMI-YWMUFLPLSA-N 1 0 480.476 3.352 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304379417 1067424386 /nfs/dbraw/zinc/42/43/86/1067424386.db2.gz SOSCQFJVHULANL-INIZCTEOSA-N 1 0 480.535 3.445 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001304379669 1067425517 /nfs/dbraw/zinc/42/55/17/1067425517.db2.gz LTZFJDPXKOCIQS-JOCHJYFZSA-N 1 0 479.412 3.113 20 0 JGADRO CC(C)Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302839187 1067425790 /nfs/dbraw/zinc/42/57/90/1067425790.db2.gz AZFWDEBHOREQGZ-VXKWHMMOSA-N 1 0 478.726 3.159 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304379873 1067425840 /nfs/dbraw/zinc/42/58/40/1067425840.db2.gz VPPDXYWZODAAER-DNVFCKCGSA-N 1 0 468.646 3.476 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC=CCC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1C ZINC001304380401 1067428478 /nfs/dbraw/zinc/42/84/78/1067428478.db2.gz ZUHSFMIXGGZXOQ-JOCHJYFZSA-N 1 0 452.603 3.150 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1C ZINC001304381853 1067429655 /nfs/dbraw/zinc/42/96/55/1067429655.db2.gz DGNULWMEUDELJR-XMMPIXPASA-N 1 0 472.659 3.200 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCC[NH+](C(C)C)C(C)C)cc1C ZINC001304382266 1067430584 /nfs/dbraw/zinc/43/05/84/1067430584.db2.gz FTLMNEKSROUFKH-QHCPKHFHSA-N 1 0 495.672 3.467 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302846805 1067432145 /nfs/dbraw/zinc/43/21/45/1067432145.db2.gz XXNWGOCSWGJHJE-XFSFLGPDSA-N 1 0 461.676 3.207 20 0 JGADRO CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4OC)C3)CC2)CC1 ZINC001304383550 1067432971 /nfs/dbraw/zinc/43/29/71/1067432971.db2.gz ZYFOGZBLDCXWLD-OAQYLSRUSA-N 1 0 456.631 3.069 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001302847931 1067433608 /nfs/dbraw/zinc/43/36/08/1067433608.db2.gz AMVDOCYXHBFUGV-KRWDZBQOSA-N 1 0 473.647 3.180 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304385075 1067437154 /nfs/dbraw/zinc/43/71/54/1067437154.db2.gz XELSHSYMUFNDAH-TZIWHRDSSA-N 1 0 483.661 3.228 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC(=O)N(C)C)cc1C ZINC001304385642 1067438496 /nfs/dbraw/zinc/43/84/96/1067438496.db2.gz ZWMHMAUYCWOAIH-JOCHJYFZSA-N 1 0 495.672 3.184 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CCC[N@@H+](C)C(C)C)C2)nc1 ZINC001304386991 1067441757 /nfs/dbraw/zinc/44/17/57/1067441757.db2.gz MYKLRHUFVPULIO-LEWJYISDSA-N 1 0 469.634 3.071 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@H]4CCOC4)n3CCC[N@@H+](C)C(C)C)C2)nc1 ZINC001304386994 1067442278 /nfs/dbraw/zinc/44/22/78/1067442278.db2.gz MYKLRHUFVPULIO-SFTDATJTSA-N 1 0 469.634 3.071 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](c4noc(C(C)C)n4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304387273 1067442498 /nfs/dbraw/zinc/44/24/98/1067442498.db2.gz VSIBUUKCDYGMTL-UYAOXDASSA-N 1 0 496.616 3.182 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(Cc4ccncc4)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001304387318 1067442529 /nfs/dbraw/zinc/44/25/29/1067442529.db2.gz PPPHYOCLHBMGBZ-JOCHJYFZSA-N 1 0 490.656 3.410 20 0 JGADRO C[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCOCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001302860464 1067442666 /nfs/dbraw/zinc/44/26/66/1067442666.db2.gz NMKCLHJGWZNNTR-IEBWSBKVSA-N 1 0 464.536 3.494 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)C2)nc1 ZINC001304387552 1067443495 /nfs/dbraw/zinc/44/34/95/1067443495.db2.gz RVWOWLLVBGKMCO-FGZHOGPDSA-N 1 0 483.661 3.461 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001304388017 1067445016 /nfs/dbraw/zinc/44/50/16/1067445016.db2.gz JZOUXDFNQBRAIP-UHFFFAOYSA-N 1 0 477.613 3.144 20 0 JGADRO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1F ZINC001302862393 1067445088 /nfs/dbraw/zinc/44/50/88/1067445088.db2.gz HZZJWVQORUBMLM-NQIIRXRSSA-N 1 0 462.589 3.064 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc([C@H]4CCCO4)n3CCC[N@@H+](C)C(C)C)CC2)nc1 ZINC001304388275 1067445510 /nfs/dbraw/zinc/44/55/10/1067445510.db2.gz APCRLGRWZXHYFO-OAQYLSRUSA-N 1 0 469.634 3.418 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001304388604 1067446595 /nfs/dbraw/zinc/44/65/95/1067446595.db2.gz QKMQNAUQUUHUPJ-HSZRJFAPSA-N 1 0 477.613 3.080 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCCOC1CCOCC1 ZINC001302865678 1067446695 /nfs/dbraw/zinc/44/66/95/1067446695.db2.gz CGBBXHDDAFYAFB-HXUWFJFHSA-N 1 0 463.667 3.142 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@H+](C)C2CCCC2)n1 ZINC001304388638 1067447050 /nfs/dbraw/zinc/44/70/50/1067447050.db2.gz DODJOLIAXXPQEL-UHFFFAOYSA-N 1 0 478.645 3.397 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001304388939 1067447557 /nfs/dbraw/zinc/44/75/57/1067447557.db2.gz HSOSWBBOAMFVED-UHFFFAOYSA-N 1 0 454.619 3.166 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C(=O)N2CCCC2)n1CCCOC(F)(F)F ZINC001302866465 1067447746 /nfs/dbraw/zinc/44/77/46/1067447746.db2.gz NVUZLPWTNCEGTF-GOSISDBHSA-N 1 0 480.535 3.151 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C(=O)N2CCCC2)n1CC(F)(F)Br ZINC001302867448 1067448323 /nfs/dbraw/zinc/44/83/23/1067448323.db2.gz VTAQMHCNPVWWMW-MRXNPFEDSA-N 1 0 497.388 3.213 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc[nH]2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001302867406 1067448356 /nfs/dbraw/zinc/44/83/56/1067448356.db2.gz UWDKDUJZNJERGN-GOSISDBHSA-N 1 0 487.649 3.266 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCOC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001302867467 1067448371 /nfs/dbraw/zinc/44/83/71/1067448371.db2.gz WFQQOHCVKZFACM-IRLDBZIGSA-N 1 0 484.645 3.360 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCOC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001302867464 1067448392 /nfs/dbraw/zinc/44/83/92/1067448392.db2.gz WFQQOHCVKZFACM-IFMALSPDSA-N 1 0 484.645 3.360 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(-c2cccn2C)n1CCSCCCO ZINC001302867870 1067448961 /nfs/dbraw/zinc/44/89/61/1067448961.db2.gz ZGWIADOULPHEPT-HXUWFJFHSA-N 1 0 454.644 3.110 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[NH+]2CCSCC2)cc1 ZINC001304390241 1067449373 /nfs/dbraw/zinc/44/93/73/1067449373.db2.gz SIHRXGUMBGKEMI-UHFFFAOYSA-N 1 0 456.660 3.443 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001304389757 1067449417 /nfs/dbraw/zinc/44/94/17/1067449417.db2.gz QDQKWCXNAFTYCM-FQEVSTJZSA-N 1 0 464.618 3.006 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001302871120 1067451857 /nfs/dbraw/zinc/45/18/57/1067451857.db2.gz IQRXMAIFKPMOGQ-IFMALSPDSA-N 1 0 483.661 3.489 20 0 JGADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001302871253 1067452192 /nfs/dbraw/zinc/45/21/92/1067452192.db2.gz XNUFEOHSCACSEF-RTBURBONSA-N 1 0 457.623 3.499 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001302871273 1067452223 /nfs/dbraw/zinc/45/22/23/1067452223.db2.gz ACYNMTWIGYEWEK-QGZVFWFLSA-N 1 0 459.557 3.325 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302872296 1067455047 /nfs/dbraw/zinc/45/50/47/1067455047.db2.gz KUCYQROTPRJAAS-FQEVSTJZSA-N 1 0 459.660 3.484 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001302872900 1067456051 /nfs/dbraw/zinc/45/60/51/1067456051.db2.gz OKVXIKLZPDZLSM-IFMALSPDSA-N 1 0 484.645 3.060 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001302873256 1067457049 /nfs/dbraw/zinc/45/70/49/1067457049.db2.gz QZBYQLFLWUEDJE-VAMGGRTRSA-N 1 0 462.639 3.498 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001302881310 1067462968 /nfs/dbraw/zinc/46/29/68/1067462968.db2.gz BQKQWQANEZHENF-UDCNLSRBSA-N 1 0 487.693 3.048 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CC(=O)NCC(F)F ZINC001302889447 1067469200 /nfs/dbraw/zinc/46/92/00/1067469200.db2.gz MVCPDLZIAJLTLG-GOSISDBHSA-N 1 0 454.610 3.339 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001304406517 1067470159 /nfs/dbraw/zinc/47/01/59/1067470159.db2.gz IQSOKQQQOSMBPP-NRFANRHFSA-N 1 0 457.619 3.282 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304406283 1067470192 /nfs/dbraw/zinc/47/01/92/1067470192.db2.gz PSZWWXXTOFBOJD-GMAHTHKFSA-N 1 0 468.646 3.261 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304406281 1067470237 /nfs/dbraw/zinc/47/02/37/1067470237.db2.gz PSZWWXXTOFBOJD-FYYLOGMGSA-N 1 0 468.646 3.261 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001302892091 1067471664 /nfs/dbraw/zinc/47/16/64/1067471664.db2.gz ALGYFYPUJABUEH-UHFFFAOYSA-N 1 0 454.619 3.054 20 0 JGADRO C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCN1S(C)(=O)=O ZINC001302892147 1067472113 /nfs/dbraw/zinc/47/21/13/1067472113.db2.gz FELCZUHFGYFZGQ-UNMCSNQZSA-N 1 0 488.702 3.001 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001302892729 1067473439 /nfs/dbraw/zinc/47/34/39/1067473439.db2.gz LJYKFTOLQQWSNX-OAQYLSRUSA-N 1 0 451.681 3.004 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001302893280 1067473915 /nfs/dbraw/zinc/47/39/15/1067473915.db2.gz WMDFVYNQUOJPLC-FQEVSTJZSA-N 1 0 478.682 3.281 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302893373 1067474432 /nfs/dbraw/zinc/47/44/32/1067474432.db2.gz ZCCHWVFCMNAKIG-IDISGSTGSA-N 1 0 498.720 3.367 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001304409248 1067474767 /nfs/dbraw/zinc/47/47/67/1067474767.db2.gz ZFAVAJOPUFOKKT-UGKGYDQZSA-N 1 0 468.646 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCOC(C)C)cc1C ZINC001304409696 1067475718 /nfs/dbraw/zinc/47/57/18/1067475718.db2.gz FHAQSVQURTWAJN-UHFFFAOYSA-N 1 0 471.646 3.448 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001304411025 1067478274 /nfs/dbraw/zinc/47/82/74/1067478274.db2.gz NYLWTEVPDWCTNL-NRFANRHFSA-N 1 0 468.646 3.391 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001304411581 1067479527 /nfs/dbraw/zinc/47/95/27/1067479527.db2.gz DLQHAVOYPXDLFP-RUZDIDTESA-N 1 0 489.686 3.219 20 0 JGADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302900000 1067482558 /nfs/dbraw/zinc/48/25/58/1067482558.db2.gz PTZCBNQXQTTWAU-RUZDIDTESA-N 1 0 488.677 3.452 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(Cc4ccsc4)n3CCCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001302901526 1067485512 /nfs/dbraw/zinc/48/55/12/1067485512.db2.gz LEIZFCGWEVIBBU-BGYRXZFFSA-N 1 0 488.702 3.124 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCOCC(F)(F)C(F)F ZINC001302901809 1067486070 /nfs/dbraw/zinc/48/60/70/1067486070.db2.gz QCWDUKPAUIAELG-INIZCTEOSA-N 1 0 479.563 3.473 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCC[NH+]2CCCC2)cc1 ZINC001304415514 1067486176 /nfs/dbraw/zinc/48/61/76/1067486176.db2.gz QCASSJXLQAYPLN-UHFFFAOYSA-N 1 0 483.661 3.282 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302902190 1067486952 /nfs/dbraw/zinc/48/69/52/1067486952.db2.gz YBQPABBTPCJVRA-VWPQPMDRSA-N 1 0 495.734 3.332 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@H]4CCCOC4)n3CCCOC(F)(F)F)CC2)C[C@H](C)O1 ZINC001302902234 1067486970 /nfs/dbraw/zinc/48/69/70/1067486970.db2.gz ZMVIAIOAHAOWSN-NSHGMRRFSA-N 1 0 489.583 3.424 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCNC(=O)C2CC2)cc1C ZINC001304416441 1067488228 /nfs/dbraw/zinc/48/82/28/1067488228.db2.gz LVJHOMFTZJYBCQ-UHFFFAOYSA-N 1 0 468.646 3.311 20 0 JGADRO Cc1noc(CCCn2c(COc3ccc(C)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001304416447 1067488677 /nfs/dbraw/zinc/48/86/77/1067488677.db2.gz LZHMJEGWGULZAS-UHFFFAOYSA-N 1 0 453.591 3.410 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905724 1067490696 /nfs/dbraw/zinc/49/06/96/1067490696.db2.gz VQWSOTABCXBGLM-CBJLPSGESA-N 1 0 470.662 3.020 20 0 JGADRO CC(C)Cc1nnc(N2CCc3c(ccnc3N(C)C)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302908122 1067492971 /nfs/dbraw/zinc/49/29/71/1067492971.db2.gz OSSCHGKJUXDCAI-UHFFFAOYSA-N 1 0 477.657 3.489 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCNC(=O)c2ccco2)cc1C ZINC001304419188 1067493691 /nfs/dbraw/zinc/49/36/91/1067493691.db2.gz MUSCTAZLYSRZPL-UHFFFAOYSA-N 1 0 480.613 3.275 20 0 JGADRO CC(C)Cc1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001302909225 1067493985 /nfs/dbraw/zinc/49/39/85/1067493985.db2.gz ZHLHJHQXROSQBG-UHFFFAOYSA-N 1 0 452.647 3.447 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001304419549 1067494532 /nfs/dbraw/zinc/49/45/32/1067494532.db2.gz YLTOAVVWHRBSBB-FCHUYYIVSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001304419626 1067494589 /nfs/dbraw/zinc/49/45/89/1067494589.db2.gz GCGYJYGRPKLQFF-NRFANRHFSA-N 1 0 459.660 3.307 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCN2CCOC2=O)cc1C ZINC001304419839 1067494861 /nfs/dbraw/zinc/49/48/61/1067494861.db2.gz PTSIBSNJVXTXRW-UHFFFAOYSA-N 1 0 470.618 3.094 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cccnc2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302911504 1067497158 /nfs/dbraw/zinc/49/71/58/1067497158.db2.gz WZHBBYZUHHLOAZ-IBGZPJMESA-N 1 0 450.587 3.333 20 0 JGADRO Cc1c(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001302914716 1067499017 /nfs/dbraw/zinc/49/90/17/1067499017.db2.gz NXTYYFCZBHELLF-UHFFFAOYSA-N 1 0 451.493 3.027 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(CC(C)(C)C)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001302915696 1067499530 /nfs/dbraw/zinc/49/95/30/1067499530.db2.gz UEQLSMXSHLIPHZ-UGKGYDQZSA-N 1 0 455.647 3.485 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001304423498 1067500338 /nfs/dbraw/zinc/50/03/38/1067500338.db2.gz GTDVEOIQFLCACB-UHFFFAOYSA-N 1 0 454.619 3.212 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302918942 1067500666 /nfs/dbraw/zinc/50/06/66/1067500666.db2.gz IEAKCAXWLWDEAJ-BDTNDASRSA-N 1 0 465.708 3.392 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302919196 1067500920 /nfs/dbraw/zinc/50/09/20/1067500920.db2.gz IVDCCZCFYMIUSN-NRFANRHFSA-N 1 0 492.709 3.453 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302921109 1067501977 /nfs/dbraw/zinc/50/19/77/1067501977.db2.gz VXCUNOXRKASPNZ-PMVMPFDFSA-N 1 0 452.647 3.479 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001304425127 1067502084 /nfs/dbraw/zinc/50/20/84/1067502084.db2.gz LGKZKYJALLKXOF-NRFANRHFSA-N 1 0 454.619 3.004 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001302923256 1067503556 /nfs/dbraw/zinc/50/35/56/1067503556.db2.gz OKZCDQDIJBUONX-QFIPXVFZSA-N 1 0 456.610 3.039 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001304427471 1067504496 /nfs/dbraw/zinc/50/44/96/1067504496.db2.gz FGLOHSWCEBVSBQ-NHCUHLMSSA-N 1 0 481.645 3.390 20 0 JGADRO FC(F)(F)C1(C(F)(F)F)CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCSCC2)C1 ZINC001302925975 1067505108 /nfs/dbraw/zinc/50/51/08/1067505108.db2.gz VPQHZKSEIZOUEM-CYBMUJFWSA-N 1 0 473.487 3.500 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302928274 1067505803 /nfs/dbraw/zinc/50/58/03/1067505803.db2.gz DNUHEENUUZOXNW-SFTDATJTSA-N 1 0 462.683 3.203 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001302933190 1067508667 /nfs/dbraw/zinc/50/86/67/1067508667.db2.gz IJXIKPZFQFBFQM-UHFFFAOYSA-N 1 0 470.637 3.381 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CCC[N@H+](C)C(C)C ZINC001302938011 1067511732 /nfs/dbraw/zinc/51/17/32/1067511732.db2.gz OXLJJARTGOZAIL-UHFFFAOYSA-N 1 0 476.691 3.108 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2CCOCC[NH+](C)C)cc1 ZINC001304433207 1067512326 /nfs/dbraw/zinc/51/23/26/1067512326.db2.gz NFRNDMMQCSFTSX-NRFANRHFSA-N 1 0 489.686 3.231 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC(C(N)=O)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304433572 1067512677 /nfs/dbraw/zinc/51/26/77/1067512677.db2.gz OUSCZSICRBELKI-BGYRXZFFSA-N 1 0 486.686 3.080 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001302939588 1067513365 /nfs/dbraw/zinc/51/33/65/1067513365.db2.gz GGHUADNDJDBYNZ-UHFFFAOYSA-N 1 0 453.635 3.099 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCC(=O)N(C)C)cc1 ZINC001304434683 1067513832 /nfs/dbraw/zinc/51/38/32/1067513832.db2.gz RMYHBPLXEZJPHV-HXUWFJFHSA-N 1 0 456.660 3.422 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302940201 1067514201 /nfs/dbraw/zinc/51/42/01/1067514201.db2.gz WENQXEXPMPQDPX-OAQYLSRUSA-N 1 0 468.646 3.267 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(C3CCCC3)n2CC[C@H]2CCOC2)CC1 ZINC001302941579 1067515461 /nfs/dbraw/zinc/51/54/61/1067515461.db2.gz NLOULOGEOFUZTD-SFHVURJKSA-N 1 0 459.557 3.453 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCOC2)CC1 ZINC001302941636 1067515587 /nfs/dbraw/zinc/51/55/87/1067515587.db2.gz PKWCHZLKSDSIPJ-SFHVURJKSA-N 1 0 473.565 3.058 20 0 JGADRO FC(F)(F)OCCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001302942675 1067516084 /nfs/dbraw/zinc/51/60/84/1067516084.db2.gz DRSBMDBOWZYLNC-LJQANCHMSA-N 1 0 453.509 3.073 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001304437359 1067516510 /nfs/dbraw/zinc/51/65/10/1067516510.db2.gz OXLWFFIPNZZGCQ-IBGZPJMESA-N 1 0 471.675 3.023 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2(C)COCCO2)cc1 ZINC001304438511 1067518362 /nfs/dbraw/zinc/51/83/62/1067518362.db2.gz XVKIXBVKCRWFQW-XMMPIXPASA-N 1 0 459.660 3.462 20 0 JGADRO FC(F)C(F)(F)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001302946039 1067519598 /nfs/dbraw/zinc/51/95/98/1067519598.db2.gz ZQAADZWYDAUNTO-UHFFFAOYSA-N 1 0 487.933 3.278 20 0 JGADRO FC(F)C(F)(F)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001302947719 1067520894 /nfs/dbraw/zinc/52/08/94/1067520894.db2.gz HTZVZDZAZVXYSD-MRXNPFEDSA-N 1 0 463.520 3.154 20 0 JGADRO Cc1nc([C@@H]2CN(c3nnc(CSc4ccc(C)cc4)n3C[C@H](C)[NH+](C)C)CCO2)no1 ZINC001304440495 1067521220 /nfs/dbraw/zinc/52/12/20/1067521220.db2.gz JYLZRUFBOGLSSQ-LPHOPBHVSA-N 1 0 457.604 3.098 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302949108 1067523074 /nfs/dbraw/zinc/52/30/74/1067523074.db2.gz HIBWFXDMXFZGSN-QHCPKHFHSA-N 1 0 458.626 3.179 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302949917 1067523839 /nfs/dbraw/zinc/52/38/39/1067523839.db2.gz MLJBKQDYBKKCBC-JOCHJYFZSA-N 1 0 481.689 3.270 20 0 JGADRO Cc1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304443827 1067525813 /nfs/dbraw/zinc/52/58/13/1067525813.db2.gz VEOQGPVEEARXQV-OYRHEFFESA-N 1 0 468.646 3.135 20 0 JGADRO Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCNC(=O)c2cccc(C)c2)cs1 ZINC001304444005 1067526173 /nfs/dbraw/zinc/52/61/73/1067526173.db2.gz ZOBSPAAXRPQHQW-UHFFFAOYSA-N 1 0 481.670 3.150 20 0 JGADRO Cc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001304447646 1067528945 /nfs/dbraw/zinc/52/89/45/1067528945.db2.gz HDZHARGWDJUBEB-OAQYLSRUSA-N 1 0 481.670 3.328 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302958949 1067530773 /nfs/dbraw/zinc/53/07/73/1067530773.db2.gz LHPRISDOWQHURP-DHIUTWEWSA-N 1 0 487.737 3.168 20 0 JGADRO Cc1cccc(C)c1OCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001304449694 1067530979 /nfs/dbraw/zinc/53/09/79/1067530979.db2.gz PIGOITMBMXTRLR-UHFFFAOYSA-N 1 0 454.619 3.017 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302959147 1067531154 /nfs/dbraw/zinc/53/11/54/1067531154.db2.gz PAJKDDKSVQOBPF-DNQXCXABSA-N 1 0 487.737 3.170 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001304450138 1067531929 /nfs/dbraw/zinc/53/19/29/1067531929.db2.gz HSKWHMXCTQSQEO-HXUWFJFHSA-N 1 0 461.614 3.261 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCOC1CCCCCC1 ZINC001302964115 1067534421 /nfs/dbraw/zinc/53/44/21/1067534421.db2.gz BCYCJXLIEDECAM-RUZDIDTESA-N 1 0 490.737 3.447 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304453471 1067534727 /nfs/dbraw/zinc/53/47/27/1067534727.db2.gz YVAJKXXZFREDRF-IRLDBZIGSA-N 1 0 482.654 3.182 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC001304453685 1067535212 /nfs/dbraw/zinc/53/52/12/1067535212.db2.gz UWLPMDAYAJKDSS-NRFANRHFSA-N 1 0 491.640 3.073 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001304454462 1067535496 /nfs/dbraw/zinc/53/54/96/1067535496.db2.gz KNCBQZBBBCDTAR-FQEVSTJZSA-N 1 0 455.632 3.407 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001302965761 1067535981 /nfs/dbraw/zinc/53/59/81/1067535981.db2.gz VCJXVFHSAWEKJU-UHFFFAOYSA-N 1 0 452.525 3.393 20 0 JGADRO Fc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)c(F)c1 ZINC001302967231 1067537228 /nfs/dbraw/zinc/53/72/28/1067537228.db2.gz LODNSRIMAGBTNO-QGZVFWFLSA-N 1 0 489.489 3.200 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001304457404 1067537893 /nfs/dbraw/zinc/53/78/93/1067537893.db2.gz CGGYXVVEIWAEJT-GOSISDBHSA-N 1 0 473.576 3.262 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001302971702 1067539739 /nfs/dbraw/zinc/53/97/39/1067539739.db2.gz GZSLYJORQVQBET-OAQYLSRUSA-N 1 0 480.579 3.062 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCOCc3ccccc3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304461452 1067540164 /nfs/dbraw/zinc/54/01/64/1067540164.db2.gz CAUDQBNOVNVDIF-UHFFFAOYSA-N 1 0 464.614 3.412 20 0 JGADRO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304463095 1067541368 /nfs/dbraw/zinc/54/13/68/1067541368.db2.gz FVRCPGWFBFJLBZ-GOSISDBHSA-N 1 0 474.675 3.172 20 0 JGADRO Fc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001302976118 1067542356 /nfs/dbraw/zinc/54/23/56/1067542356.db2.gz AGZSKQXSFMCGAB-GOSISDBHSA-N 1 0 471.499 3.060 20 0 JGADRO Fc1ccccc1Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCCOC(F)(F)F ZINC001302977447 1067543054 /nfs/dbraw/zinc/54/30/54/1067543054.db2.gz KQIVOPNDQJKGKM-KRWDZBQOSA-N 1 0 471.499 3.093 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CCCC[NH+]2CCOCC2)n1 ZINC001304465356 1067543688 /nfs/dbraw/zinc/54/36/88/1067543688.db2.gz LOMBCIAFCQPXEG-JOCHJYFZSA-N 1 0 497.688 3.138 20 0 JGADRO Cc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001304466059 1067544219 /nfs/dbraw/zinc/54/42/19/1067544219.db2.gz RPKIMZXMYZZGQN-FQEVSTJZSA-N 1 0 456.635 3.279 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC001304468565 1067547138 /nfs/dbraw/zinc/54/71/38/1067547138.db2.gz DROZJCQDASCHJO-UHFFFAOYSA-N 1 0 468.627 3.067 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304468549 1067547148 /nfs/dbraw/zinc/54/71/48/1067547148.db2.gz HLERJUNPWHKLTE-CTNGQTDRSA-N 1 0 467.662 3.464 20 0 JGADRO CC(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302984303 1067547827 /nfs/dbraw/zinc/54/78/27/1067547827.db2.gz CQNCTTSWIUAWTJ-IRLDBZIGSA-N 1 0 459.660 3.012 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001304473674 1067551634 /nfs/dbraw/zinc/55/16/34/1067551634.db2.gz SQPBDKSYRWFXNJ-FCHUYYIVSA-N 1 0 497.688 3.281 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001304473677 1067551653 /nfs/dbraw/zinc/55/16/53/1067551653.db2.gz SQPBDKSYRWFXNJ-FGZHOGPDSA-N 1 0 497.688 3.281 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](c4noc(C(C)C)n4)C3)n2CCOCC[NH+](C)C)n1 ZINC001304474434 1067552254 /nfs/dbraw/zinc/55/22/54/1067552254.db2.gz WAVKFNVACLWJAM-LJQANCHMSA-N 1 0 468.606 3.117 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001304477239 1067555559 /nfs/dbraw/zinc/55/55/59/1067555559.db2.gz GQSBPOFQDBQUDQ-UHFFFAOYSA-N 1 0 469.634 3.438 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001304477963 1067556353 /nfs/dbraw/zinc/55/63/53/1067556353.db2.gz QPTGDOUXESTEGU-NHCUHLMSSA-N 1 0 467.662 3.321 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001304478228 1067556728 /nfs/dbraw/zinc/55/67/28/1067556728.db2.gz XZWIHRWKZCIKJB-SBHAEUEKSA-N 1 0 453.635 3.074 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCNC(=O)OC(C)(C)C)n1 ZINC001304478484 1067557261 /nfs/dbraw/zinc/55/72/61/1067557261.db2.gz JHFRYCUDUVMQSV-UHFFFAOYSA-N 1 0 455.607 3.238 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001304479501 1067558908 /nfs/dbraw/zinc/55/89/08/1067558908.db2.gz UTHFQEICNYSYRN-FQEVSTJZSA-N 1 0 469.634 3.436 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001304479836 1067559413 /nfs/dbraw/zinc/55/94/13/1067559413.db2.gz DCNPHPXYTCDCLY-IBGZPJMESA-N 1 0 465.568 3.453 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304480686 1067560042 /nfs/dbraw/zinc/56/00/42/1067560042.db2.gz RQTLCONJCXKKCX-GOSISDBHSA-N 1 0 453.557 3.309 20 0 JGADRO Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)n1 ZINC001304484103 1067563344 /nfs/dbraw/zinc/56/33/44/1067563344.db2.gz RLYMWIZOAOLZSE-LJQANCHMSA-N 1 0 452.628 3.347 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001303010028 1067564444 /nfs/dbraw/zinc/56/44/44/1067564444.db2.gz JJNGWTJFEUFGQL-DEOSSOPVSA-N 1 0 471.675 3.292 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001303009773 1067564492 /nfs/dbraw/zinc/56/44/92/1067564492.db2.gz RWUGOGANJAQQIR-AREMUKBSSA-N 1 0 495.676 3.419 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001303010873 1067565464 /nfs/dbraw/zinc/56/54/64/1067565464.db2.gz YNNNNXNPZQZOSG-DVECYGJZSA-N 1 0 477.053 3.339 20 0 JGADRO Cc1cccc([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3C[C@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001304487305 1067566059 /nfs/dbraw/zinc/56/60/59/1067566059.db2.gz LLXINFGDBCPSOG-VJBWXMMDSA-N 1 0 473.687 3.459 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001303012375 1067566937 /nfs/dbraw/zinc/56/69/37/1067566937.db2.gz ZATSUARIDHJSSN-BVAGGSTKSA-N 1 0 466.630 3.316 20 0 JGADRO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC001304489095 1067567779 /nfs/dbraw/zinc/56/77/79/1067567779.db2.gz CFJHYRTYAKNVJR-FGZHOGPDSA-N 1 0 467.662 3.453 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001303014620 1067569113 /nfs/dbraw/zinc/56/91/13/1067569113.db2.gz BRKJZBBOYXNROJ-CRRLPVGBSA-N 1 0 498.716 3.037 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001303015544 1067570089 /nfs/dbraw/zinc/57/00/89/1067570089.db2.gz HYTPMTHNWIAARX-NDEPHWFRSA-N 1 0 497.732 3.446 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303016274 1067570332 /nfs/dbraw/zinc/57/03/32/1067570332.db2.gz XCWJFDVZBITGER-BWKNWUBXSA-N 1 0 460.667 3.119 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303016280 1067570544 /nfs/dbraw/zinc/57/05/44/1067570544.db2.gz XCWJFDVZBITGER-SQJMNOBHSA-N 1 0 460.667 3.119 20 0 JGADRO Cc1cccc(CCn2c([C@@H]3CCOC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC001304494499 1067571352 /nfs/dbraw/zinc/57/13/52/1067571352.db2.gz RPIMXOWSAOUOQF-OAQYLSRUSA-N 1 0 481.563 3.424 20 0 JGADRO Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC001304495281 1067571764 /nfs/dbraw/zinc/57/17/64/1067571764.db2.gz AOXPZJBTWMOIHE-QNWVGRARSA-N 1 0 488.702 3.336 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(C)c4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304497951 1067573558 /nfs/dbraw/zinc/57/35/58/1067573558.db2.gz SMRLGAOKCGXLQI-UHFFFAOYSA-N 1 0 464.662 3.363 20 0 JGADRO Cc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC001304499369 1067574515 /nfs/dbraw/zinc/57/45/15/1067574515.db2.gz XGMPVGHPKBGGBT-UHFFFAOYSA-N 1 0 467.662 3.173 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)Cc3cnccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304500126 1067574860 /nfs/dbraw/zinc/57/48/60/1067574860.db2.gz JJWAHYIWHUPBDI-OYRHEFFESA-N 1 0 465.602 3.091 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2CC[N@@H+]3CCCC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303022890 1067575042 /nfs/dbraw/zinc/57/50/42/1067575042.db2.gz SFXCYQYICMEZIV-TUSQITKMSA-N 1 0 463.667 3.180 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2CC[NH+](C3CCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303023190 1067575603 /nfs/dbraw/zinc/57/56/03/1067575603.db2.gz URXRVIXLTPBBJY-LOSJGSFVSA-N 1 0 463.667 3.180 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001304503763 1067577966 /nfs/dbraw/zinc/57/79/66/1067577966.db2.gz IXJBKSMKVUTGBO-HSZRJFAPSA-N 1 0 470.662 3.054 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CCc3cnccn3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001304503768 1067577989 /nfs/dbraw/zinc/57/79/89/1067577989.db2.gz IZFIPLNVPZPMFU-DEOSSOPVSA-N 1 0 467.643 3.072 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC(=O)NC(C)C)c1 ZINC001304506799 1067580223 /nfs/dbraw/zinc/58/02/23/1067580223.db2.gz NXTTZZNSIXQEMN-UHFFFAOYSA-N 1 0 456.635 3.247 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001304507519 1067581321 /nfs/dbraw/zinc/58/13/21/1067581321.db2.gz RPCSCFAJPWDNFT-FGZHOGPDSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001304507846 1067581708 /nfs/dbraw/zinc/58/17/08/1067581708.db2.gz LALBMZCEMKTIPW-NRFANRHFSA-N 1 0 456.635 3.341 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304508744 1067582939 /nfs/dbraw/zinc/58/29/39/1067582939.db2.gz AKVRDIMETUNMDL-VQTJNVASSA-N 1 0 456.635 3.247 20 0 JGADRO NC(=O)CC1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[NH+]2CCCC2)CC1 ZINC001303038156 1067583697 /nfs/dbraw/zinc/58/36/97/1067583697.db2.gz DEJCLGMHLJCJCA-UHFFFAOYSA-N 1 0 493.425 3.424 20 0 JGADRO NC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303039305 1067584615 /nfs/dbraw/zinc/58/46/15/1067584615.db2.gz SVOFSUKYLGTCNK-SFHVURJKSA-N 1 0 495.455 3.191 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001304511050 1067586144 /nfs/dbraw/zinc/58/61/44/1067586144.db2.gz GKQMLGSEKLMLTA-AZUAARDMSA-N 1 0 468.627 3.197 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304511321 1067586542 /nfs/dbraw/zinc/58/65/42/1067586542.db2.gz NFTZYFKDEWEYQU-FDFHNCONSA-N 1 0 457.619 3.280 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001304511322 1067586788 /nfs/dbraw/zinc/58/67/88/1067586788.db2.gz NFTZYFKDEWEYQU-FSSWDIPSSA-N 1 0 457.619 3.280 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@]2(O)CCO[C@@H]2C)c1 ZINC001304511355 1067586806 /nfs/dbraw/zinc/58/68/06/1067586806.db2.gz ACRQOHMVHXJPNJ-QFQXNSOFSA-N 1 0 471.646 3.264 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCC(=O)NC(C)(C)C)c1 ZINC001304511992 1067588204 /nfs/dbraw/zinc/58/82/04/1067588204.db2.gz VMBKENPCUFSOMU-JOCHJYFZSA-N 1 0 498.672 3.019 20 0 JGADRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001303050676 1067591213 /nfs/dbraw/zinc/59/12/13/1067591213.db2.gz XDRUSLWMVLCFJX-KRWDZBQOSA-N 1 0 459.940 3.303 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001304515047 1067591953 /nfs/dbraw/zinc/59/19/53/1067591953.db2.gz MOERYAVZUWWXEO-OAQYLSRUSA-N 1 0 459.660 3.389 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001304515134 1067592000 /nfs/dbraw/zinc/59/20/00/1067592000.db2.gz OCUWJESBDZVHMJ-SFTDATJTSA-N 1 0 473.687 3.491 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001304519703 1067595167 /nfs/dbraw/zinc/59/51/67/1067595167.db2.gz LLDLEPIBBBQKBK-IHPCNDPISA-N 1 0 462.664 3.126 20 0 JGADRO CC(C)CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001303056992 1067595191 /nfs/dbraw/zinc/59/51/91/1067595191.db2.gz AVSZLYZZQBQCIE-IBGZPJMESA-N 1 0 451.681 3.460 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1CCOCC[NH+](C)C ZINC001304524204 1067597894 /nfs/dbraw/zinc/59/78/94/1067597894.db2.gz TUUMSRGDPHNIIU-UHFFFAOYSA-N 1 0 467.599 3.178 20 0 JGADRO Cc1ccccc1-c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304527997 1067599959 /nfs/dbraw/zinc/59/99/59/1067599959.db2.gz LEXPQHTZGOMWJL-RBBKRZOGSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304527996 1067599993 /nfs/dbraw/zinc/59/99/93/1067599993.db2.gz LEXPQHTZGOMWJL-IRLDBZIGSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001304529594 1067600991 /nfs/dbraw/zinc/60/09/91/1067600991.db2.gz HMAIJJGROPSWCT-IBGZPJMESA-N 1 0 472.659 3.406 20 0 JGADRO CC(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001303069822 1067604614 /nfs/dbraw/zinc/60/46/14/1067604614.db2.gz UTSOHVMUTNKRQV-CTNGQTDRSA-N 1 0 462.664 3.035 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCCOC(F)F ZINC001304534800 1067605095 /nfs/dbraw/zinc/60/50/95/1067605095.db2.gz IICVBLMPRJHVTE-UHFFFAOYSA-N 1 0 459.545 3.329 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCCOC(C)C ZINC001304534888 1067605366 /nfs/dbraw/zinc/60/53/66/1067605366.db2.gz JQFDVYPPHQIHPD-HSZRJFAPSA-N 1 0 468.646 3.202 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCOCC[NH+](C)C ZINC001304534896 1067605383 /nfs/dbraw/zinc/60/53/83/1067605383.db2.gz JRUOXUIDELGUIW-UHFFFAOYSA-N 1 0 468.646 3.061 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304534882 1067605464 /nfs/dbraw/zinc/60/54/64/1067605464.db2.gz QQJLFABDEXQLHC-IBVKSMDESA-N 1 0 484.645 3.156 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304534881 1067605498 /nfs/dbraw/zinc/60/54/98/1067605498.db2.gz QQJLFABDEXQLHC-FQRUVTKNSA-N 1 0 484.645 3.156 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCS(=O)(=O)N(C)C ZINC001304535921 1067606654 /nfs/dbraw/zinc/60/66/54/1067606654.db2.gz XRWVPLWZLOEHPY-QFIPXVFZSA-N 1 0 488.702 3.237 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001304536555 1067607515 /nfs/dbraw/zinc/60/75/15/1067607515.db2.gz BNFHVWQIFFPHRG-OAQYLSRUSA-N 1 0 480.579 3.295 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304536687 1067607739 /nfs/dbraw/zinc/60/77/39/1067607739.db2.gz DFSSPWMEBQMNRZ-VXKWHMMOSA-N 1 0 468.646 3.057 20 0 JGADRO CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C2)nc1C ZINC001303076198 1067609346 /nfs/dbraw/zinc/60/93/46/1067609346.db2.gz NFCRWXMRNGRXMI-HXUWFJFHSA-N 1 0 456.612 3.005 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCNC(=O)C(C)C ZINC001304538028 1067609365 /nfs/dbraw/zinc/60/93/65/1067609365.db2.gz QKUWQFYUZNBLGZ-UHFFFAOYSA-N 1 0 466.655 3.452 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001304538387 1067610173 /nfs/dbraw/zinc/61/01/73/1067610173.db2.gz WRZKCUBSVUATHT-UHFFFAOYSA-N 1 0 484.645 3.279 20 0 JGADRO O=C(Nc1ccccn1)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC[NH+]1CCCCC1 ZINC001303078326 1067611672 /nfs/dbraw/zinc/61/16/72/1067611672.db2.gz PPUFVPARJXBCEG-UHFFFAOYSA-N 1 0 450.374 3.311 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001304544386 1067614383 /nfs/dbraw/zinc/61/43/83/1067614383.db2.gz VKJGWMQGRMAHIY-JOCHJYFZSA-N 1 0 466.674 3.408 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCc2cnccn2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304548047 1067616841 /nfs/dbraw/zinc/61/68/41/1067616841.db2.gz LSNLRFBHNMFNJB-FGZHOGPDSA-N 1 0 463.630 3.146 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001304549187 1067618091 /nfs/dbraw/zinc/61/80/91/1067618091.db2.gz GQCHYGGOVGUGSQ-FGZHOGPDSA-N 1 0 452.647 3.499 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001304549188 1067618180 /nfs/dbraw/zinc/61/81/80/1067618180.db2.gz GQCHYGGOVGUGSQ-VXKWHMMOSA-N 1 0 452.647 3.499 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001304549234 1067618519 /nfs/dbraw/zinc/61/85/19/1067618519.db2.gz HTPMZLRVXFTIAL-GHTZIAJQSA-N 1 0 452.628 3.209 20 0 JGADRO O=C(NCC(F)(F)F)[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001303085602 1067618427 /nfs/dbraw/zinc/61/84/27/1067618427.db2.gz CLKDXZVQEPPOJG-MRXNPFEDSA-N 1 0 468.499 3.075 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001304549635 1067618981 /nfs/dbraw/zinc/61/89/81/1067618981.db2.gz QFQNDPYTOJSHKW-IBGZPJMESA-N 1 0 461.676 3.169 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001304551470 1067621076 /nfs/dbraw/zinc/62/10/76/1067621076.db2.gz SBJCFIRTLUCFEO-HXUWFJFHSA-N 1 0 452.647 3.355 20 0 JGADRO O=C(NCc1ccc(Cl)cc1)c1nnc(N2CCCOCC2)n1CCCCC[NH+]1CCCC1 ZINC001303087831 1067621764 /nfs/dbraw/zinc/62/17/64/1067621764.db2.gz KLCXWTCWPWZDTI-UHFFFAOYSA-N 1 0 475.037 3.354 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CCC[N@@H+](C)C(C)C ZINC001304553367 1067622853 /nfs/dbraw/zinc/62/28/53/1067622853.db2.gz PNGGAKVKIVWNRW-UHFFFAOYSA-N 1 0 452.647 3.356 20 0 JGADRO O=C(NCc1nnc(N2CCC(C(F)(F)F)CC2)n1CC[NH+]1CCCC1)c1cccs1 ZINC001303089298 1067624733 /nfs/dbraw/zinc/62/47/33/1067624733.db2.gz ZLWBPNLMUJJVGV-UHFFFAOYSA-N 1 0 456.538 3.144 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC[N@H+](C)C(C)C ZINC001304558643 1067627153 /nfs/dbraw/zinc/62/71/53/1067627153.db2.gz ATAGSZCTTPQJJX-UHFFFAOYSA-N 1 0 456.635 3.432 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001303091164 1067627779 /nfs/dbraw/zinc/62/77/79/1067627779.db2.gz OMYUAIDORYSVSN-JOCHJYFZSA-N 1 0 460.667 3.021 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001303091093 1067627785 /nfs/dbraw/zinc/62/77/85/1067627785.db2.gz LURKKNWXLGJZEY-HXUWFJFHSA-N 1 0 483.748 3.270 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001303091205 1067628099 /nfs/dbraw/zinc/62/80/99/1067628099.db2.gz PQYBAMCFGAQEKV-QFIPXVFZSA-N 1 0 496.766 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001304559159 1067628260 /nfs/dbraw/zinc/62/82/60/1067628260.db2.gz JVYUMXTWQCRBJY-UHFFFAOYSA-N 1 0 473.687 3.313 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001303091673 1067628989 /nfs/dbraw/zinc/62/89/89/1067628989.db2.gz VKFCCACYKMXDOT-VQTJNVASSA-N 1 0 487.661 3.420 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2CCS(=O)CC2)CC1 ZINC001303091988 1067629285 /nfs/dbraw/zinc/62/92/85/1067629285.db2.gz YTDYTRJEXWPEPI-UHFFFAOYSA-N 1 0 457.688 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[S@](=O)C(C)(C)C ZINC001304560525 1067630166 /nfs/dbraw/zinc/63/01/66/1067630166.db2.gz SVLJBDMQDSWTBM-TXRXYBTHSA-N 1 0 487.714 3.414 20 0 JGADRO 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CC(C)CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001303100419 1067638582 /nfs/dbraw/zinc/63/85/82/1067638582.db2.gz FIWOFHXXQTYFBE-VWLOTQADSA-N 1 0 486.686 3.086 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2=CCCCC2)CC1 ZINC001304570696 1067638625 /nfs/dbraw/zinc/63/86/25/1067638625.db2.gz POBNZYGQWFRSAA-FQEVSTJZSA-N 1 0 472.659 3.019 20 0 JGADRO Cc1ccccc1N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001304570693 1067638680 /nfs/dbraw/zinc/63/86/80/1067638680.db2.gz PNCHFRLFXJFMAZ-OAQYLSRUSA-N 1 0 481.670 3.416 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001304570635 1067638695 /nfs/dbraw/zinc/63/86/95/1067638695.db2.gz NVHFFIYPPYCLOR-UHFFFAOYSA-N 1 0 461.614 3.276 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(C)C)CC1 ZINC001304570660 1067638731 /nfs/dbraw/zinc/63/87/31/1067638731.db2.gz OQKTWUQCVXGZHN-UHFFFAOYSA-N 1 0 468.646 3.207 20 0 JGADRO CC(C)CCOC1CCN(c2nnc(C(=O)NC(C)C)n2CC2CC[NH+](C3CC3)CC2)CC1 ZINC001303100949 1067639472 /nfs/dbraw/zinc/63/94/72/1067639472.db2.gz WIPVTHXLICPIRY-UHFFFAOYSA-N 1 0 460.667 3.322 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(F)(F)F)CC1 ZINC001304571276 1067639577 /nfs/dbraw/zinc/63/95/77/1067639577.db2.gz WNNDJOMORLGBPP-SFHVURJKSA-N 1 0 450.509 3.202 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2cnnn2C)cc1 ZINC001303102689 1067641379 /nfs/dbraw/zinc/64/13/79/1067641379.db2.gz QPRNPHSDGIMIJX-UHFFFAOYSA-N 1 0 466.634 3.467 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001303103157 1067641670 /nfs/dbraw/zinc/64/16/70/1067641670.db2.gz UPKUFIBEGMKSCY-NRFANRHFSA-N 1 0 468.646 3.380 20 0 JGADRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cn2ccc(Br)cc2n1 ZINC001303103068 1067641704 /nfs/dbraw/zinc/64/17/04/1067641704.db2.gz CQVHCWMWXGIBBU-UHFFFAOYSA-N 1 0 457.372 3.244 20 0 JGADRO 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CC(C)[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001303271402 1067800236 /nfs/dbraw/zinc/80/02/36/1067800236.db2.gz QWQMMSHTRHSQSE-AWEZNQCLSA-N 1 0 469.453 3.201 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001303271765 1067800561 /nfs/dbraw/zinc/80/05/61/1067800561.db2.gz UOVYALVLIBDAAU-OALUTQOASA-N 1 0 475.435 3.295 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001303271764 1067800614 /nfs/dbraw/zinc/80/06/14/1067800614.db2.gz UOVYALVLIBDAAU-MOPGFXCFSA-N 1 0 475.435 3.295 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001303272118 1067800984 /nfs/dbraw/zinc/80/09/84/1067800984.db2.gz XQPHNKCNJCWTSY-UHFFFAOYSA-N 1 0 476.572 3.335 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303274269 1067801592 /nfs/dbraw/zinc/80/15/92/1067801592.db2.gz BNDRKVCIKFFTHS-FQEVSTJZSA-N 1 0 486.642 3.344 20 0 JGADRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273178 1067801784 /nfs/dbraw/zinc/80/17/84/1067801784.db2.gz IDBQNHGEBMCLKG-CVEARBPZSA-N 1 0 458.282 3.357 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C2CCC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001303274446 1067802153 /nfs/dbraw/zinc/80/21/53/1067802153.db2.gz GJNRRFMVEFZOAV-UHFFFAOYSA-N 1 0 456.610 3.306 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001303275485 1067802906 /nfs/dbraw/zinc/80/29/06/1067802906.db2.gz YMGOBZAKFOYSKM-JOCHJYFZSA-N 1 0 454.619 3.259 20 0 JGADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4cccnc4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001304732692 1067806002 /nfs/dbraw/zinc/80/60/02/1067806002.db2.gz FQKCUIGSRZWPAM-FCHUYYIVSA-N 1 0 451.623 3.366 20 0 JGADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4cccnc4)n3C[C@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001304732694 1067806145 /nfs/dbraw/zinc/80/61/45/1067806145.db2.gz FQKCUIGSRZWPAM-VXKWHMMOSA-N 1 0 451.623 3.366 20 0 JGADRO CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+](C)C(C)C)CC1 ZINC001303278419 1067806705 /nfs/dbraw/zinc/80/67/05/1067806705.db2.gz CYHRWZBDZJHXRG-UHFFFAOYSA-N 1 0 474.625 3.420 20 0 JGADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CC[NH+](C(C)C)C(C)C)C2)n1 ZINC001304734659 1067808698 /nfs/dbraw/zinc/80/86/98/1067808698.db2.gz UOGILIJPASESKT-JOCHJYFZSA-N 1 0 470.666 3.288 20 0 JGADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCC[NH+](C)C)C2)n1 ZINC001304735538 1067809355 /nfs/dbraw/zinc/80/93/55/1067809355.db2.gz UYRQAANFSCACFL-IBGZPJMESA-N 1 0 491.015 3.366 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)C(C)C ZINC001303290782 1067814730 /nfs/dbraw/zinc/81/47/30/1067814730.db2.gz BVUDMXRXJIQUBK-HXUWFJFHSA-N 1 0 455.651 3.288 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2noc3c2COCC3)nnc1N(C)CC1COC(C)(C)OC1)C(C)C ZINC001303291217 1067815309 /nfs/dbraw/zinc/81/53/09/1067815309.db2.gz FRTAXXLAZSPEDZ-UHFFFAOYSA-N 1 0 490.649 3.350 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1)C(C)C ZINC001303291151 1067815442 /nfs/dbraw/zinc/81/54/42/1067815442.db2.gz CYOOSOYYUYRRDP-VQTJNVASSA-N 1 0 470.618 3.014 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)C(C)C ZINC001303291383 1067815768 /nfs/dbraw/zinc/81/57/68/1067815768.db2.gz HPQCPOMMIONEPE-MSOLQXFVSA-N 1 0 474.572 3.286 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(F)cc2C1)C(C)C ZINC001303291815 1067816508 /nfs/dbraw/zinc/81/65/08/1067816508.db2.gz OQOZBFSTWHHHHJ-HXUWFJFHSA-N 1 0 477.650 3.391 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)C(C)C ZINC001303291675 1067816638 /nfs/dbraw/zinc/81/66/38/1067816638.db2.gz UWDJCPQANWYRRV-JOCHJYFZSA-N 1 0 480.665 3.083 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1)C(C)C ZINC001303291781 1067816688 /nfs/dbraw/zinc/81/66/88/1067816688.db2.gz NOFSHZMNJUYCQB-VXKWHMMOSA-N 1 0 460.667 3.272 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001304741087 1067816758 /nfs/dbraw/zinc/81/67/58/1067816758.db2.gz YDENEIGSGQOPEY-FQEVSTJZSA-N 1 0 478.645 3.140 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)C1)C(C)C ZINC001303291736 1067816740 /nfs/dbraw/zinc/81/67/40/1067816740.db2.gz XEOHXWKNTVMSIR-UHFFFAOYSA-N 1 0 463.424 3.153 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001304741429 1067817371 /nfs/dbraw/zinc/81/73/71/1067817371.db2.gz VXEVESKKAHANAP-DENIHFKCSA-N 1 0 456.683 3.181 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C ZINC001303292315 1067817427 /nfs/dbraw/zinc/81/74/27/1067817427.db2.gz DLPAMCZNHUQUHP-BHDDXSALSA-N 1 0 489.709 3.262 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C ZINC001303292316 1067817479 /nfs/dbraw/zinc/81/74/79/1067817479.db2.gz DLPAMCZNHUQUHP-YPAWHYETSA-N 1 0 489.709 3.262 20 0 JGADRO CC(C)[NH+](CCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)C(C)C ZINC001303292177 1067817522 /nfs/dbraw/zinc/81/75/22/1067817522.db2.gz WCRHAKAGGPJWIL-UHFFFAOYSA-N 1 0 473.710 3.189 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)n1 ZINC001304741469 1067817615 /nfs/dbraw/zinc/81/76/15/1067817615.db2.gz XANUIJNPVNMXJT-UHFFFAOYSA-N 1 0 476.629 3.093 20 0 JGADRO CC(C)[NH+](CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C2CCOCC2)C1)C(C)C ZINC001303292873 1067818763 /nfs/dbraw/zinc/81/87/63/1067818763.db2.gz SFQLQMLVWHTESF-JOCHJYFZSA-N 1 0 460.667 3.162 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)C(C)C ZINC001303295550 1067819596 /nfs/dbraw/zinc/81/95/96/1067819596.db2.gz FAHKVWTXIGBJLE-LJQANCHMSA-N 1 0 457.598 3.243 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1)C(C)C ZINC001303295863 1067819748 /nfs/dbraw/zinc/81/97/48/1067819748.db2.gz KDESTHMIPBEDIU-UHFFFAOYSA-N 1 0 496.635 3.289 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3F)n2CCCC[NH+]2CCOCC2)n1 ZINC001304742749 1067819998 /nfs/dbraw/zinc/81/99/98/1067819998.db2.gz FXGJBYFLVXCWSW-UHFFFAOYSA-N 1 0 473.572 3.167 20 0 JGADRO CC(C)[NH+](CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](c2cnn(C)c2)C1)C(C)C ZINC001303296660 1067820557 /nfs/dbraw/zinc/82/05/57/1067820557.db2.gz CSHJLELPUFOXRR-QHCPKHFHSA-N 1 0 485.608 3.426 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)C(C)C ZINC001303296713 1067820579 /nfs/dbraw/zinc/82/05/79/1067820579.db2.gz UADHEWWVQDPZHL-UXHICEINSA-N 1 0 463.026 3.497 20 0 JGADRO CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1)C(C)C ZINC001303297135 1067820935 /nfs/dbraw/zinc/82/09/35/1067820935.db2.gz ODDLBBJQSLBWHM-YADHBBJMSA-N 1 0 460.667 3.162 20 0 JGADRO CC(C)[NH+](CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001303298050 1067822128 /nfs/dbraw/zinc/82/21/28/1067822128.db2.gz GWNQRZVRQHNNCQ-SFHVURJKSA-N 1 0 458.632 3.169 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC(N)=O)CC1)C(C)C ZINC001303298140 1067822480 /nfs/dbraw/zinc/82/24/80/1067822480.db2.gz OWXYHSCCMCLWTB-IFMALSPDSA-N 1 0 462.683 3.407 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCCCC[C@H]21)C(C)C ZINC001303298253 1067822593 /nfs/dbraw/zinc/82/25/93/1067822593.db2.gz JVQFWMDYKWHABD-NJDAHSKKSA-N 1 0 451.681 3.458 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001304744517 1067822719 /nfs/dbraw/zinc/82/27/19/1067822719.db2.gz WTXIJFLTHKJVFG-UGKGYDQZSA-N 1 0 455.582 3.054 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001304744741 1067823150 /nfs/dbraw/zinc/82/31/50/1067823150.db2.gz BLMGYTBSOMYSPA-JOCHJYFZSA-N 1 0 459.689 3.317 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001303298635 1067823374 /nfs/dbraw/zinc/82/33/74/1067823374.db2.gz NLXJAMBSGVCWLY-QFIPXVFZSA-N 1 0 486.636 3.392 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC001303298801 1067823515 /nfs/dbraw/zinc/82/35/15/1067823515.db2.gz WVHDIMMODKDEFW-UHFFFAOYSA-N 1 0 491.725 3.386 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1)C(C)C ZINC001303299748 1067824531 /nfs/dbraw/zinc/82/45/31/1067824531.db2.gz ZKWVGOAFUUYZTK-HXUWFJFHSA-N 1 0 459.614 3.152 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCCO3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001303301102 1067824906 /nfs/dbraw/zinc/82/49/06/1067824906.db2.gz ABAIFSKSYSWNES-KZNAEPCWSA-N 1 0 459.557 3.390 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccccc3Br)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001303301786 1067825908 /nfs/dbraw/zinc/82/59/08/1067825908.db2.gz QHAKYIIJZKMVIF-KRWDZBQOSA-N 1 0 478.435 3.168 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccnc3)nnc2N(C)CCN(C)c2ccccc2)CC1 ZINC001303301886 1067825949 /nfs/dbraw/zinc/82/59/49/1067825949.db2.gz UHJGNBDRZOMPFI-UHFFFAOYSA-N 1 0 463.630 3.148 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CCOc3ccccc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001303302094 1067826636 /nfs/dbraw/zinc/82/66/36/1067826636.db2.gz BIZLLFHPIDMPCJ-HXUWFJFHSA-N 1 0 459.660 3.077 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CCOc3ccccc3)nnc2N(C)OC2CCCC2)CC1 ZINC001303302416 1067827314 /nfs/dbraw/zinc/82/73/14/1067827314.db2.gz ISGRBFBFEOTTOD-UHFFFAOYSA-N 1 0 457.619 3.445 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001303302826 1067827831 /nfs/dbraw/zinc/82/78/31/1067827831.db2.gz NRPVDKRWXBGCOR-QGZVFWFLSA-N 1 0 482.423 3.357 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N3CC[C@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001303303484 1067829163 /nfs/dbraw/zinc/82/91/63/1067829163.db2.gz WMMYSILAHQYFOT-RUZDIDTESA-N 1 0 459.610 3.048 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304749533 1067829516 /nfs/dbraw/zinc/82/95/16/1067829516.db2.gz LMMFVLHDFIDXPT-REWPJTCUSA-N 1 0 465.646 3.259 20 0 JGADRO 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3.305 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303462400 1067981413 /nfs/dbraw/zinc/98/14/13/1067981413.db2.gz BISGWUNTRWMXKI-DYESRHJHSA-N 1 0 472.609 3.439 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001303462410 1067981788 /nfs/dbraw/zinc/98/17/88/1067981788.db2.gz BNHRKNLCXANSGU-LLJLJFOGSA-N 1 0 461.582 3.064 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001303462412 1067981799 /nfs/dbraw/zinc/98/17/99/1067981799.db2.gz BNHRKNLCXANSGU-XFAGBWLFSA-N 1 0 461.582 3.064 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001303462409 1067981868 /nfs/dbraw/zinc/98/18/68/1067981868.db2.gz BNHRKNLCXANSGU-HOOSLVGPSA-N 1 0 461.582 3.064 20 0 JGADRO C[C@H]1C[C@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC001304933488 1067982341 /nfs/dbraw/zinc/98/23/41/1067982341.db2.gz SQMKLSODUAZKEX-VQTJNVASSA-N 1 0 489.686 3.474 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCOCC2)CC1 ZINC001303464267 1067983520 /nfs/dbraw/zinc/98/35/20/1067983520.db2.gz FLRICXSZSIEMJD-UHFFFAOYSA-N 1 0 451.974 3.246 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001303464543 1067983885 /nfs/dbraw/zinc/98/38/85/1067983885.db2.gz LCKXKUDYYJQOJH-OAHLLOKOSA-N 1 0 470.014 3.139 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC001303464801 1067983924 /nfs/dbraw/zinc/98/39/24/1067983924.db2.gz MTZYEJIGOGTCCV-QHCPKHFHSA-N 1 0 458.010 3.207 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001303465285 1067984305 /nfs/dbraw/zinc/98/43/05/1067984305.db2.gz HKYVGGRMBWQCFI-VWLOTQADSA-N 1 0 452.578 3.278 20 0 JGADRO C[C@@H]1C[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001304936056 1067984758 /nfs/dbraw/zinc/98/47/58/1067984758.db2.gz UEXQIWWNJWRBAY-ACDBMABISA-N 1 0 489.686 3.473 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 ZINC001303465503 1067984776 /nfs/dbraw/zinc/98/47/76/1067984776.db2.gz QQSPTRAYYWUFNS-INIZCTEOSA-N 1 0 463.424 3.345 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnn(C)c3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001303465767 1067984786 /nfs/dbraw/zinc/98/47/86/1067984786.db2.gz SMOMZMDPATWGLI-UHFFFAOYSA-N 1 0 478.432 3.459 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2nccs2)CC1 ZINC001303465443 1067984795 /nfs/dbraw/zinc/98/47/95/1067984795.db2.gz PUJICEVMGWWWOW-SFHVURJKSA-N 1 0 491.662 3.058 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001303465582 1067984817 /nfs/dbraw/zinc/98/48/17/1067984817.db2.gz JSHVRQHSXVQLHS-GOSISDBHSA-N 1 0 457.623 3.144 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2cnn(C)n2)CC1 ZINC001303465590 1067984820 /nfs/dbraw/zinc/98/48/20/1067984820.db2.gz KDAJUFOUYQHIIG-UHFFFAOYSA-N 1 0 457.026 3.250 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCCCC2=O)CC1 ZINC001303465625 1067984828 /nfs/dbraw/zinc/98/48/28/1067984828.db2.gz LTEQTLAHAXVGEQ-UHFFFAOYSA-N 1 0 453.635 3.023 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001303465728 1067984833 /nfs/dbraw/zinc/98/48/33/1067984833.db2.gz YUUYUADHTKHPKF-UHFFFAOYSA-N 1 0 475.519 3.139 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001303466073 1067985204 /nfs/dbraw/zinc/98/52/04/1067985204.db2.gz PCPAQRSJYJKEGT-UHFFFAOYSA-N 1 0 456.635 3.171 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)c2ccccc2)CC1 ZINC001303467581 1067986111 /nfs/dbraw/zinc/98/61/11/1067986111.db2.gz BGGSDJPCLUFAKC-UHFFFAOYSA-N 1 0 481.670 3.373 20 0 JGADRO C[C@H]1C[C@H](N(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304947061 1067998646 /nfs/dbraw/zinc/99/86/46/1067998646.db2.gz FJMFWNDAHZHOJJ-RBBKRZOGSA-N 1 0 490.718 3.247 20 0 JGADRO COc1ccc(NC(=O)COc2ccc(C(=O)N3CC[C@@H](CC[NH+](C)C)C3)cc2OC)cc1 ZINC001303478998 1067998836 /nfs/dbraw/zinc/99/88/36/1067998836.db2.gz PYJZVHADENNQOL-GOSISDBHSA-N 1 0 455.555 3.135 20 0 JGADRO C[C@@H]1C[C@@H](N(C)c2nnc([C@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001304950216 1068000342 /nfs/dbraw/zinc/00/03/42/1068000342.db2.gz MVCGTFXMLJRFID-PUHATCMVSA-N 1 0 489.686 3.096 20 0 JGADRO CC(C)C(=O)NCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001304972145 1068012432 /nfs/dbraw/zinc/01/24/32/1068012432.db2.gz ABCIXRPXYNHEKB-BJKOFHAPSA-N 1 0 495.716 3.430 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCCC2)CCOC1 ZINC001303489373 1068013401 /nfs/dbraw/zinc/01/34/01/1068013401.db2.gz JXPGSARIXNJYPT-JBYIUTFZSA-N 1 0 489.583 3.349 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001303489713 1068013635 /nfs/dbraw/zinc/01/36/35/1068013635.db2.gz MCIODQIXMCXREF-YDIMBITNSA-N 1 0 461.607 3.218 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC(C(=O)c4ccccc4)CC3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001303490393 1068015450 /nfs/dbraw/zinc/01/54/50/1068015450.db2.gz SUTKTNUZWMBMKX-FNZWTVRRSA-N 1 0 469.630 3.368 20 0 JGADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)O)CC1 ZINC001304977285 1068016425 /nfs/dbraw/zinc/01/64/25/1068016425.db2.gz QSWQPWFLPVGVGQ-KDURUIRLSA-N 1 0 492.615 3.312 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001304978544 1068017283 /nfs/dbraw/zinc/01/72/83/1068017283.db2.gz DQSUBXMPUUPVBN-RGELYXPASA-N 1 0 474.675 3.086 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001304980662 1068019761 /nfs/dbraw/zinc/01/97/61/1068019761.db2.gz PXIVUZPXOHFIET-SHSGKGFPSA-N 1 0 487.737 3.339 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001304981185 1068021146 /nfs/dbraw/zinc/02/11/46/1068021146.db2.gz NOSUXBSHSNTSRS-WMZOPIPTSA-N 1 0 465.689 3.095 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[C@H](C)[C@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001303496164 1068022173 /nfs/dbraw/zinc/02/21/73/1068022173.db2.gz TUYOOLFSZBHTTD-TWRVUUBYSA-N 1 0 451.681 3.238 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304981906 1068022406 /nfs/dbraw/zinc/02/24/06/1068022406.db2.gz BUUGAOHUYYTYAG-KDYSTLNUSA-N 1 0 499.679 3.388 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC(CO)CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303496553 1068023085 /nfs/dbraw/zinc/02/30/85/1068023085.db2.gz XFEYGEBZMJLAHX-HFZDXXHNSA-N 1 0 471.646 3.048 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001304982463 1068023717 /nfs/dbraw/zinc/02/37/17/1068023717.db2.gz APGXOKREIDFAFD-YOSAUDMPSA-N 1 0 482.739 3.143 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCSC[C@H]2C)([NH+](C)C)C1 ZINC001304983197 1068024976 /nfs/dbraw/zinc/02/49/76/1068024976.db2.gz JNTSIHGQMAFEGM-PMAPCBKXSA-N 1 0 457.648 3.378 20 0 JGADRO Cc1cc(Br)c(N)c(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC001303498155 1068025823 /nfs/dbraw/zinc/02/58/23/1068025823.db2.gz PECRMNXINCREDP-UHFFFAOYSA-N 1 0 455.397 3.059 20 0 JGADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001304984227 1068026880 /nfs/dbraw/zinc/02/68/80/1068026880.db2.gz HITQUXHMMIEVFC-VWEIPLKFSA-N 1 0 460.667 3.034 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304984798 1068027968 /nfs/dbraw/zinc/02/79/68/1068027968.db2.gz SNYGCXUNEXMXBO-PWHSHALESA-N 1 0 468.712 3.415 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304984933 1068028475 /nfs/dbraw/zinc/02/84/75/1068028475.db2.gz IRIVRYWDVFPQGN-ZNJVELJLSA-N 1 0 470.618 3.001 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C(F)(F)F)C2)([NH+](C)C)C1 ZINC001304985823 1068029156 /nfs/dbraw/zinc/02/91/56/1068029156.db2.gz KLUIPURRVZUKFJ-WKRCXCSHSA-N 1 0 459.557 3.450 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(CCOc3ccccc3)nnc2N2CC[C@@](C)(C(N)=O)C2)([NH+](C)C)C1 ZINC001304986659 1068029327 /nfs/dbraw/zinc/02/93/27/1068029327.db2.gz LHKPOYYLZKAYGA-LIKDZFNVSA-N 1 0 468.646 3.112 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(F)cc3C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304986639 1068029516 /nfs/dbraw/zinc/02/95/16/1068029516.db2.gz YZPVPOGSMWHUHV-NXMSCROESA-N 1 0 492.665 3.101 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)CCOC1 ZINC001303501688 1068030209 /nfs/dbraw/zinc/03/02/09/1068030209.db2.gz JXNGHSGFPXGWAH-RLWLMLJZSA-N 1 0 493.693 3.213 20 0 JGADRO C[C@H]1CCC[C@@](Cn2c(C3CCCC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC001304988665 1068030953 /nfs/dbraw/zinc/03/09/53/1068030953.db2.gz QDOBDFWRGDYMRP-YADARESESA-N 1 0 480.723 3.306 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)c2nccs2)CCOC1 ZINC001303502082 1068031212 /nfs/dbraw/zinc/03/12/12/1068031212.db2.gz LBUZUPQVWXGYEM-WZONZLPQSA-N 1 0 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490.649 3.201 20 0 JGADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001304996636 1068039368 /nfs/dbraw/zinc/03/93/68/1068039368.db2.gz QXMRQEBELSFDKO-YMPZKCBVSA-N 1 0 487.737 3.024 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCOC(C)(C)C3)n2CCC[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303506144 1068040415 /nfs/dbraw/zinc/04/04/15/1068040415.db2.gz NVZSANFLIADRCB-SANMLTNESA-N 1 0 471.646 3.456 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CC(F)(F)F)CCOC1 ZINC001303506984 1068041227 /nfs/dbraw/zinc/04/12/27/1068041227.db2.gz SWGYONAKDXNVCF-HXUWFJFHSA-N 1 0 473.565 3.307 20 0 JGADRO C[C@H]1CCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001305001281 1068043508 /nfs/dbraw/zinc/04/35/08/1068043508.db2.gz UDYUGQJYUYYLFR-ZWKOTPCHSA-N 1 0 467.540 3.262 20 0 JGADRO CC(C)O[C@]1(c2nnc(Nc3ccn(C)n3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303510322 1068044998 /nfs/dbraw/zinc/04/49/98/1068044998.db2.gz SOZXMYQIJOONNF-NTKDMRAZSA-N 1 0 453.591 3.316 20 0 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C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NC(C)(C)C)C1 ZINC001305016186 1068059084 /nfs/dbraw/zinc/05/90/84/1068059084.db2.gz ZKCLZKJNOAVJHQ-QHAWAJNXSA-N 1 0 460.667 3.178 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(CCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305016658 1068059676 /nfs/dbraw/zinc/05/96/76/1068059676.db2.gz IHYZSOMUHGASAC-GMAHTHKFSA-N 1 0 473.687 3.341 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001305017565 1068061714 /nfs/dbraw/zinc/06/17/14/1068061714.db2.gz QMIONSRDMVLRJI-IBGZPJMESA-N 1 0 474.675 3.131 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001303532265 1068062155 /nfs/dbraw/zinc/06/21/55/1068062155.db2.gz YIZJJDWZJKQHBI-AZUAARDMSA-N 1 0 495.466 3.017 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c(Cc2ccncc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001305018153 1068062112 /nfs/dbraw/zinc/06/21/12/1068062112.db2.gz SFIPGJLSCGUVQA-FQEVSTJZSA-N 1 0 453.635 3.010 20 0 JGADRO 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ZINC001305051101 1068113718 /nfs/dbraw/zinc/11/37/18/1068113718.db2.gz OFGMXZNURJPSEL-NHCUHLMSSA-N 1 0 453.635 3.061 20 0 JGADRO C[C@H]1CCC[N@H+](CCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001305050974 1068113731 /nfs/dbraw/zinc/11/37/31/1068113731.db2.gz YQGIMGJHTCTRLM-SIKLNZKXSA-N 1 0 475.659 3.292 20 0 JGADRO C[C@@H]1CCC[N@H+](CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)C1 ZINC001305051169 1068114092 /nfs/dbraw/zinc/11/40/92/1068114092.db2.gz ZJTDSVBNYBJJEA-IRLDBZIGSA-N 1 0 499.660 3.350 20 0 JGADRO C[C@H]1CCC[N@H+](CCn2c(-c3ccc(Br)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305051541 1068115043 /nfs/dbraw/zinc/11/50/43/1068115043.db2.gz POAJDPGKYNXCSI-FUHWJXTLSA-N 1 0 475.435 3.141 20 0 JGADRO C[C@@H]1CCC[N@H+](CCCCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001305052156 1068116191 /nfs/dbraw/zinc/11/61/91/1068116191.db2.gz ZCEDJORLGVRGKS-YADHBBJMSA-N 1 0 474.694 3.379 20 0 JGADRO C[C@@H]1CCC[N@H+](CCn2c(-c3ccc(Br)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305052816 1068117003 /nfs/dbraw/zinc/11/70/03/1068117003.db2.gz VIXMTCDIPVMEMB-VQIMIIECSA-N 1 0 496.475 3.063 20 0 JGADRO C[C@H]1CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCC[NH+]1CCCC1 ZINC001305053899 1068118197 /nfs/dbraw/zinc/11/81/97/1068118197.db2.gz MKJMMEDFYSZTPV-FQEVSTJZSA-N 1 0 474.675 3.450 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)[N@H+](C)C1CC1 ZINC001303595861 1068118433 /nfs/dbraw/zinc/11/84/33/1068118433.db2.gz IORXWVLVEALLMI-RTBURBONSA-N 1 0 482.654 3.348 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001305057688 1068119754 /nfs/dbraw/zinc/11/97/54/1068119754.db2.gz BHJHTFIBUIILQC-MAUKXSAKSA-N 1 0 450.509 3.369 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccccc1F ZINC001305058176 1068120350 /nfs/dbraw/zinc/12/03/50/1068120350.db2.gz FSKXZFKXIYLLEQ-SFHVURJKSA-N 1 0 451.550 3.228 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001305057973 1068120386 /nfs/dbraw/zinc/12/03/86/1068120386.db2.gz CNTSHWGDDYLOSB-AZUAARDMSA-N 1 0 478.563 3.052 20 0 JGADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001305058843 1068121485 /nfs/dbraw/zinc/12/14/85/1068121485.db2.gz JRWLUNZBISXFDN-PMACEKPBSA-N 1 0 482.654 3.349 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001305058699 1068121576 /nfs/dbraw/zinc/12/15/76/1068121576.db2.gz JGTSGYIYPSUORM-HTAPYJJXSA-N 1 0 466.552 3.278 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001305058660 1068121659 /nfs/dbraw/zinc/12/16/59/1068121659.db2.gz IMVGGVRSJUVAAX-LJQANCHMSA-N 1 0 469.634 3.242 20 0 JGADRO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001305058897 1068122227 /nfs/dbraw/zinc/12/22/27/1068122227.db2.gz KYKHNYVAFYLTLM-BRWVUGGUSA-N 1 0 467.586 3.140 20 0 JGADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001305058844 1068122417 /nfs/dbraw/zinc/12/24/17/1068122417.db2.gz JRWLUNZBISXFDN-UXHICEINSA-N 1 0 482.654 3.349 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305058970 1068122556 /nfs/dbraw/zinc/12/25/56/1068122556.db2.gz KGGOJDZAPWUMED-LPHOPBHVSA-N 1 0 452.024 3.096 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305059403 1068122877 /nfs/dbraw/zinc/12/28/77/1068122877.db2.gz MFNGLUBZIPYHPW-PMACEKPBSA-N 1 0 471.650 3.461 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305059688 1068123854 /nfs/dbraw/zinc/12/38/54/1068123854.db2.gz NPXZHRTWXKJVCI-GOSISDBHSA-N 1 0 470.622 3.055 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305059745 1068123864 /nfs/dbraw/zinc/12/38/64/1068123864.db2.gz OCFBGZGCQBCYJN-OALUTQOASA-N 1 0 455.607 3.270 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1cnn(C)c1 ZINC001305059992 1068124363 /nfs/dbraw/zinc/12/43/63/1068124363.db2.gz SPIORNGOTWJFSD-LJQANCHMSA-N 1 0 486.665 3.247 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305060011 1068124599 /nfs/dbraw/zinc/12/45/99/1068124599.db2.gz STMAWNJGXUUBNV-NJYVYQBISA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305060523 1068125258 /nfs/dbraw/zinc/12/52/58/1068125258.db2.gz QEILZJPLNDVJMR-MOPGFXCFSA-N 1 0 457.623 3.451 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305060658 1068125346 /nfs/dbraw/zinc/12/53/46/1068125346.db2.gz WPMOHEKWPORXGS-HSALFYBXSA-N 1 0 462.639 3.498 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001305061350 1068126446 /nfs/dbraw/zinc/12/64/46/1068126446.db2.gz YTMGGZWMNCWHNM-AYLZSAKASA-N 1 0 452.628 3.122 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCOC1 ZINC001305061837 1068127743 /nfs/dbraw/zinc/12/77/43/1068127743.db2.gz ITSURMGSLLWWMK-LWYYNNOASA-N 1 0 462.639 3.006 20 0 JGADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(Cc2ccncc2)n1CC[NH+]1CCSCC1 ZINC001303600616 1068127841 /nfs/dbraw/zinc/12/78/41/1068127841.db2.gz HSUUTIFTLNKNPN-AONNBLCTSA-N 1 0 484.695 3.248 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCOC1 ZINC001305061840 1068128263 /nfs/dbraw/zinc/12/82/63/1068128263.db2.gz ITSURMGSLLWWMK-ZGXWSNOMSA-N 1 0 462.639 3.006 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305061961 1068128806 /nfs/dbraw/zinc/12/88/06/1068128806.db2.gz HQBPSJUFLBHPPI-RBUKOAKNSA-N 1 0 492.665 3.317 20 0 JGADRO C[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCCCCO)[NH+]1CCC(C)CC1 ZINC001305061978 1068128859 /nfs/dbraw/zinc/12/88/59/1068128859.db2.gz HYLWLIHKWRFLMT-LJQANCHMSA-N 1 0 467.618 3.313 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001305062130 1068128863 /nfs/dbraw/zinc/12/88/63/1068128863.db2.gz XALXMRRTBJKRBU-GOSISDBHSA-N 1 0 461.010 3.167 20 0 JGADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccccc1F)C1CC1)[NH+]1CCC(C)CC1 ZINC001305061962 1068128884 /nfs/dbraw/zinc/12/88/84/1068128884.db2.gz HQBPSJUFLBHPPI-RTBURBONSA-N 1 0 492.665 3.317 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305063245 1068131519 /nfs/dbraw/zinc/13/15/19/1068131519.db2.gz OJNWCZILCZMZOE-SFHVURJKSA-N 1 0 495.594 3.299 20 0 JGADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1CC[NH+]1CCSCC1 ZINC001303602030 1068132005 /nfs/dbraw/zinc/13/20/05/1068132005.db2.gz MIVYMBDISHMHQS-AUMHUTNHSA-N 1 0 458.657 3.257 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC001303602610 1068133228 /nfs/dbraw/zinc/13/32/28/1068133228.db2.gz SZXRUIVNHHBMED-IBGZPJMESA-N 1 0 487.674 3.247 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001305063639 1068133366 /nfs/dbraw/zinc/13/33/66/1068133366.db2.gz IJPZJADAVBVTOB-QUCCMNQESA-N 1 0 457.623 3.449 20 0 JGADRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001303603166 1068134242 /nfs/dbraw/zinc/13/42/42/1068134242.db2.gz QSGPHXQCDMKWGK-CVCYQNGTSA-N 1 0 459.660 3.327 20 0 JGADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001305064475 1068135612 /nfs/dbraw/zinc/13/56/12/1068135612.db2.gz DQXYNEAOGDOIOV-LJQANCHMSA-N 1 0 477.650 3.142 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001305064694 1068135618 /nfs/dbraw/zinc/13/56/18/1068135618.db2.gz FVXMKTNIBROJDR-NCXUSEDFSA-N 1 0 459.557 3.449 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccccc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305064937 1068136308 /nfs/dbraw/zinc/13/63/08/1068136308.db2.gz WRDTXBOAPQGLNY-AQNXPRMDSA-N 1 0 462.664 3.206 20 0 JGADRO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303604098 1068136603 /nfs/dbraw/zinc/13/66/03/1068136603.db2.gz XOQMPKUUJMBLBW-QUCCMNQESA-N 1 0 475.659 3.348 20 0 JGADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@@H]2CCOC2)n1CC[N@H+](C)C1CCCC1 ZINC001303605136 1068137721 /nfs/dbraw/zinc/13/77/21/1068137721.db2.gz AXNZYIQGQDKFHS-RBBKRZOGSA-N 1 0 468.646 3.312 20 0 JGADRO CC(C)N(C)C(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001305065972 1068138062 /nfs/dbraw/zinc/13/80/62/1068138062.db2.gz MKNRWEBOFAZOCO-JOCHJYFZSA-N 1 0 481.689 3.468 20 0 JGADRO C[C@@H](Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001305066649 1068138584 /nfs/dbraw/zinc/13/85/84/1068138584.db2.gz OPGONYPNTHIEOD-PZJWPPBQSA-N 1 0 476.666 3.081 20 0 JGADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001305066962 1068139169 /nfs/dbraw/zinc/13/91/69/1068139169.db2.gz PLCNAVLDSPWZIJ-MOPGFXCFSA-N 1 0 474.675 3.394 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305067449 1068140274 /nfs/dbraw/zinc/14/02/74/1068140274.db2.gz RTDRALBXEWCDTF-QZTJIDSGSA-N 1 0 459.557 3.186 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C)CC1 ZINC001305067482 1068140749 /nfs/dbraw/zinc/14/07/49/1068140749.db2.gz SEXLWMYSXNUYOR-NRFANRHFSA-N 1 0 496.681 3.424 20 0 JGADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccccn2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303606728 1068141025 /nfs/dbraw/zinc/14/10/25/1068141025.db2.gz PPSBDQLDNQVPIV-FNZWTVRRSA-N 1 0 493.681 3.433 20 0 JGADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001305068627 1068142280 /nfs/dbraw/zinc/14/22/80/1068142280.db2.gz WZMMWFJHLHWFDL-CEXWTWQISA-N 1 0 452.594 3.248 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001305070989 1068144565 /nfs/dbraw/zinc/14/45/65/1068144565.db2.gz QYJZRAOIBSYHMK-QZTJIDSGSA-N 1 0 466.677 3.023 20 0 JGADRO CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001305070647 1068144742 /nfs/dbraw/zinc/14/47/42/1068144742.db2.gz LXNDQENWVSBJPE-UHFFFAOYSA-N 1 0 488.080 3.124 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001305072519 1068146210 /nfs/dbraw/zinc/14/62/10/1068146210.db2.gz RXCKYCZTMVZGFH-BZUAXINKSA-N 1 0 451.413 3.381 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305072521 1068146217 /nfs/dbraw/zinc/14/62/17/1068146217.db2.gz RXCKYCZTMVZGFH-OAGGEKHMSA-N 1 0 451.413 3.381 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CC[N@H+](C)C2)[C@@H]1C ZINC001305072900 1068146860 /nfs/dbraw/zinc/14/68/60/1068146860.db2.gz VSOTZTUVKIDVRG-ARGWCVDVSA-N 1 0 452.372 3.148 20 0 JGADRO CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001303614537 1068148660 /nfs/dbraw/zinc/14/86/60/1068148660.db2.gz PSZHARBSXIZXAH-SJORKVTESA-N 1 0 453.484 3.413 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001305081507 1068154319 /nfs/dbraw/zinc/15/43/19/1068154319.db2.gz DDRUUGXYSQXZCE-RBUKOAKNSA-N 1 0 451.619 3.405 20 0 JGADRO CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)CC1 ZINC001305091719 1068160148 /nfs/dbraw/zinc/16/01/48/1068160148.db2.gz ICHCXHXZOUSUIX-HXUWFJFHSA-N 1 0 462.639 3.309 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)C(C)C ZINC001303630179 1068161109 /nfs/dbraw/zinc/16/11/09/1068161109.db2.gz PQEYZFPIFAHLNG-IBGZPJMESA-N 1 0 471.679 3.137 20 0 JGADRO C[C@@H]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCCCCO)C[C@H]1C ZINC001305096986 1068163795 /nfs/dbraw/zinc/16/37/95/1068163795.db2.gz VALGCAQSLOOIFZ-DHIUTWEWSA-N 1 0 454.663 3.288 20 0 JGADRO C[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(C)(C)O)CC[C@@H]1C ZINC001305098147 1068165301 /nfs/dbraw/zinc/16/53/01/1068165301.db2.gz YCMUXGUSHSFUGY-VXKWHMMOSA-N 1 0 454.663 3.286 20 0 JGADRO C[C@@H]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(C)(C)O)C[C@H]1C ZINC001305098146 1068165371 /nfs/dbraw/zinc/16/53/71/1068165371.db2.gz YCMUXGUSHSFUGY-FGZHOGPDSA-N 1 0 454.663 3.286 20 0 JGADRO CC1CC[NH+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001305101320 1068167766 /nfs/dbraw/zinc/16/77/66/1068167766.db2.gz BATMYJUPNIXPML-UHFFFAOYSA-N 1 0 499.685 3.231 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305102407 1068168370 /nfs/dbraw/zinc/16/83/70/1068168370.db2.gz SIMNSHAXKYCJDW-VQTJNVASSA-N 1 0 468.712 3.273 20 0 JGADRO CC1CC[NH+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001305102320 1068168501 /nfs/dbraw/zinc/16/85/01/1068168501.db2.gz PRQQKSKMVVBJIL-RTBURBONSA-N 1 0 491.624 3.471 20 0 JGADRO CC1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(c3cccnn3)CC2)CC1 ZINC001305102613 1068168862 /nfs/dbraw/zinc/16/88/62/1068168862.db2.gz UIFKHAMCYWFMDR-UHFFFAOYSA-N 1 0 454.667 3.495 20 0 JGADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001305102525 1068168965 /nfs/dbraw/zinc/16/89/65/1068168965.db2.gz TYXWDMITKVWGHL-YADHBBJMSA-N 1 0 460.667 3.035 20 0 JGADRO CC1CC[NH+](CCCCn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001305103273 1068169979 /nfs/dbraw/zinc/16/99/79/1068169979.db2.gz DESZRLZNDOZRHV-HXUWFJFHSA-N 1 0 465.689 3.066 20 0 JGADRO CC1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001305104114 1068172052 /nfs/dbraw/zinc/17/20/52/1068172052.db2.gz SYMODTHFQBFOII-LEWJYISDSA-N 1 0 476.666 3.255 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303644409 1068173095 /nfs/dbraw/zinc/17/30/95/1068173095.db2.gz JKCRXKLMKGVIMW-PBHICJAKSA-N 1 0 475.391 3.304 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001305105554 1068173174 /nfs/dbraw/zinc/17/31/74/1068173174.db2.gz CRFOZDCUWSPXGL-OALUTQOASA-N 1 0 475.037 3.470 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001305105080 1068173177 /nfs/dbraw/zinc/17/31/77/1068173177.db2.gz GYONFGDWCJLCEF-SFHVURJKSA-N 1 0 467.540 3.405 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3cccnc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001305105313 1068173189 /nfs/dbraw/zinc/17/31/89/1068173189.db2.gz MYVZOBMBQCQLHH-UHFFFAOYSA-N 1 0 453.635 3.157 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCCS(C)(=O)=O)CC1 ZINC001305105750 1068173607 /nfs/dbraw/zinc/17/36/07/1068173607.db2.gz QVKNWLNTSONVMN-UHFFFAOYSA-N 1 0 472.659 3.419 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001305105764 1068173640 /nfs/dbraw/zinc/17/36/40/1068173640.db2.gz CZCJDUJMIVQAKH-JOCHJYFZSA-N 1 0 489.064 3.455 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3ccccc3Br)nnc2N2CCNC(=O)CC2)CC1 ZINC001305106217 1068174103 /nfs/dbraw/zinc/17/41/03/1068174103.db2.gz RKLFOZFZBIIQIW-UHFFFAOYSA-N 1 0 475.435 3.156 20 0 JGADRO CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001305106005 1068174184 /nfs/dbraw/zinc/17/41/84/1068174184.db2.gz GGXGZYVCGGSJAC-DHIUTWEWSA-N 1 0 474.694 3.283 20 0 JGADRO C[C@@H](N1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCC(C)CC2)CC1)C(F)(F)F ZINC001305106884 1068175118 /nfs/dbraw/zinc/17/51/18/1068175118.db2.gz GQROXVCFRXPGMV-RTBURBONSA-N 1 0 458.573 3.324 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305106759 1068175156 /nfs/dbraw/zinc/17/51/56/1068175156.db2.gz INWWMBASBLMPKW-UHFFFAOYSA-N 1 0 467.662 3.255 20 0 JGADRO CC1CC[NH+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)Cc2nccs2)CC1 ZINC001305107399 1068176251 /nfs/dbraw/zinc/17/62/51/1068176251.db2.gz OGVPROCSYMTNJZ-UHFFFAOYSA-N 1 0 474.656 3.173 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCC(C)CC1 ZINC001305107529 1068176288 /nfs/dbraw/zinc/17/62/88/1068176288.db2.gz PTZFSIXGXUMNGH-UHFFFAOYSA-N 1 0 450.990 3.430 20 0 JGADRO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC001305107578 1068176786 /nfs/dbraw/zinc/17/67/86/1068176786.db2.gz JRAYLTMAITVVKZ-SVFBPWRDSA-N 1 0 472.609 3.174 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccc(F)cc3Br)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001305107887 1068176835 /nfs/dbraw/zinc/17/68/35/1068176835.db2.gz PCFXMRFIHOQNLI-UHFFFAOYSA-N 1 0 493.425 3.280 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001305107796 1068176850 /nfs/dbraw/zinc/17/68/50/1068176850.db2.gz QXFSIECFXHMPOV-ONTIZHBOSA-N 1 0 474.675 3.003 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303648825 1068178023 /nfs/dbraw/zinc/17/80/23/1068178023.db2.gz LLGBKAUKKZLKHY-IBGZPJMESA-N 1 0 464.618 3.095 20 0 JGADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1CC[NH+]1CCC(C)CC1 ZINC001305108640 1068178077 /nfs/dbraw/zinc/17/80/77/1068178077.db2.gz VXWQNCAMRDBWCW-PZJWPPBQSA-N 1 0 475.659 3.115 20 0 JGADRO CC1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001305108677 1068178418 /nfs/dbraw/zinc/17/84/18/1068178418.db2.gz WRTIUWNMNBDYJU-QGZVFWFLSA-N 1 0 469.556 3.293 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001305109030 1068179012 /nfs/dbraw/zinc/17/90/12/1068179012.db2.gz YHONUAURBDLAAJ-SFHVURJKSA-N 1 0 466.051 3.344 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001305109997 1068180728 /nfs/dbraw/zinc/18/07/28/1068180728.db2.gz AWNXNOFJXXEMFJ-MJGOQNOKSA-N 1 0 452.525 3.152 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001305109998 1068180756 /nfs/dbraw/zinc/18/07/56/1068180756.db2.gz AWNXNOFJXXEMFJ-PKOBYXMFSA-N 1 0 452.525 3.152 20 0 JGADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001305110366 1068181223 /nfs/dbraw/zinc/18/12/23/1068181223.db2.gz HOMCRZSXGPWXMT-QFIPXVFZSA-N 1 0 487.737 3.168 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001305110225 1068181245 /nfs/dbraw/zinc/18/12/45/1068181245.db2.gz GMEVIBAAPTVDMB-IPJJNNNSSA-N 1 0 489.583 3.207 20 0 JGADRO CC(C)C(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001305110556 1068181762 /nfs/dbraw/zinc/18/17/62/1068181762.db2.gz ZOTCUYIEJQYSCY-XMMPIXPASA-N 1 0 481.689 3.375 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001303653254 1068183907 /nfs/dbraw/zinc/18/39/07/1068183907.db2.gz NLDVZXZXQLZFKC-BPUDTRNYSA-N 1 0 482.673 3.345 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001305111882 1068184800 /nfs/dbraw/zinc/18/48/00/1068184800.db2.gz GUBIPESYLGPGBV-HDICACEKSA-N 1 0 450.672 3.105 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N2CCC(O)(C(F)(F)F)CC2)C[C@H](C)O1 ZINC001305111997 1068184944 /nfs/dbraw/zinc/18/49/44/1068184944.db2.gz IOUITLOYAQCWCT-ROUUACIJSA-N 1 0 496.578 3.045 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C3CC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C[C@H](C)O1 ZINC001305112034 1068184962 /nfs/dbraw/zinc/18/49/62/1068184962.db2.gz DOBZIJMBMJFSQG-GASCZTMLSA-N 1 0 469.556 3.432 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001303654439 1068186086 /nfs/dbraw/zinc/18/60/86/1068186086.db2.gz VINWVWXSLYEYQU-QPPBQGQZSA-N 1 0 475.641 3.266 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305112272 1068186102 /nfs/dbraw/zinc/18/61/02/1068186102.db2.gz GIFOHODHMUYDPH-BGYRXZFFSA-N 1 0 462.683 3.373 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC3(CCN(C)C3=O)CC2)C[C@H](C)O1 ZINC001305112343 1068186169 /nfs/dbraw/zinc/18/61/69/1068186169.db2.gz KTFVEURYOKBEHR-BGYRXZFFSA-N 1 0 474.694 3.203 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@H](C)O1 ZINC001305112399 1068186747 /nfs/dbraw/zinc/18/67/47/1068186747.db2.gz LMOYLBHBOXJLOD-HDICACEKSA-N 1 0 487.052 3.175 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](N3CCCC3=O)C2)C[C@@H](C)O1 ZINC001305112652 1068187333 /nfs/dbraw/zinc/18/73/33/1068187333.db2.gz NWODZKGJYWVKHF-NJDAHSKKSA-N 1 0 474.694 3.346 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCc2nccs2)C[C@H](C)O1 ZINC001305112618 1068187413 /nfs/dbraw/zinc/18/74/13/1068187413.db2.gz NMDHYKPIRRVVKG-KDURUIRLSA-N 1 0 469.659 3.287 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)C[C@@H](C)O1 ZINC001305112916 1068188576 /nfs/dbraw/zinc/18/85/76/1068188576.db2.gz QMBGJABTPNLKEW-NHCUHLMSSA-N 1 0 497.688 3.112 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001305113352 1068189340 /nfs/dbraw/zinc/18/93/40/1068189340.db2.gz NWHVBOQTZJSSHA-LTIDMASMSA-N 1 0 467.540 3.258 20 0 JGADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001303659282 1068191579 /nfs/dbraw/zinc/19/15/79/1068191579.db2.gz OFBIJKFMTFMNHR-XMSQKQJNSA-N 1 0 454.619 3.017 20 0 JGADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303659280 1068191586 /nfs/dbraw/zinc/19/15/86/1068191586.db2.gz OFBIJKFMTFMNHR-GCJKJVERSA-N 1 0 454.619 3.017 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C[C@@H](C)O1 ZINC001305114488 1068192319 /nfs/dbraw/zinc/19/23/19/1068192319.db2.gz YMNWGNCMWCBBKJ-YPAWHYETSA-N 1 0 482.673 3.008 20 0 JGADRO CC(C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305115070 1068193385 /nfs/dbraw/zinc/19/33/85/1068193385.db2.gz WCNYWTJEMHHAFV-RTBURBONSA-N 1 0 455.651 3.313 20 0 JGADRO CC(C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305115066 1068193504 /nfs/dbraw/zinc/19/35/04/1068193504.db2.gz WCNYWTJEMHHAFV-OALUTQOASA-N 1 0 455.651 3.313 20 0 JGADRO C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001303663000 1068193952 /nfs/dbraw/zinc/19/39/52/1068193952.db2.gz JUAYGMJUPMUGLM-RTBURBONSA-N 1 0 462.664 3.003 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305115288 1068194001 /nfs/dbraw/zinc/19/40/01/1068194001.db2.gz KEQLHUMQLMXPFH-LPHOPBHVSA-N 1 0 460.026 3.171 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CCCCCO)C[C@H](C)O1 ZINC001305115393 1068194095 /nfs/dbraw/zinc/19/40/95/1068194095.db2.gz XXVGNTOXGRACRI-PMACEKPBSA-N 1 0 487.645 3.203 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@H](C)O1 ZINC001305115654 1068194314 /nfs/dbraw/zinc/19/43/14/1068194314.db2.gz ZGZHARQYGFPUHS-VXKWHMMOSA-N 1 0 499.704 3.023 20 0 JGADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCCCCC1 ZINC001303663927 1068196029 /nfs/dbraw/zinc/19/60/29/1068196029.db2.gz QEJQSXBFQFNOQQ-SIKLNZKXSA-N 1 0 454.619 3.268 20 0 JGADRO C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC001303663911 1068196082 /nfs/dbraw/zinc/19/60/82/1068196082.db2.gz QCLIKZWSDVBIRS-KCZVDYSFSA-N 1 0 474.675 3.147 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305116848 1068196100 /nfs/dbraw/zinc/19/61/00/1068196100.db2.gz ISHSHONDGIAPPL-QFBILLFUSA-N 1 0 489.462 3.495 20 0 JGADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC001303664363 1068196757 /nfs/dbraw/zinc/19/67/57/1068196757.db2.gz UUEOKCCHAKRCOC-BHIFYINESA-N 1 0 488.702 3.394 20 0 JGADRO C[C@H](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCCCC1 ZINC001303664271 1068196774 /nfs/dbraw/zinc/19/67/74/1068196774.db2.gz SYZHAMSXYJLACN-MRXNPFEDSA-N 1 0 492.466 3.012 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)c2ccccc2)CC1 ZINC001303665856 1068199312 /nfs/dbraw/zinc/19/93/12/1068199312.db2.gz APJMUYXSNXDRDI-UNMCSNQZSA-N 1 0 459.660 3.295 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)c2ccccc2)CC1 ZINC001303665851 1068199326 /nfs/dbraw/zinc/19/93/26/1068199326.db2.gz APJMUYXSNXDRDI-IFMALSPDSA-N 1 0 459.660 3.295 20 0 JGADRO C[C@H](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303665873 1068199439 /nfs/dbraw/zinc/19/94/39/1068199439.db2.gz GSQIEGARRBZFGH-KNQAVFIVSA-N 1 0 493.649 3.274 20 0 JGADRO C[C@H](CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCCC1 ZINC001303666060 1068200148 /nfs/dbraw/zinc/20/01/48/1068200148.db2.gz WMSAQZLHGIWEBK-MSOLQXFVSA-N 1 0 466.051 3.486 20 0 JGADRO C[C@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCCCC1 ZINC001303666750 1068200895 /nfs/dbraw/zinc/20/08/95/1068200895.db2.gz LQWFGHSRABDSET-RTBURBONSA-N 1 0 475.037 3.442 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2Cl)n1CC[N@H+]1CC=CCC1 ZINC001305120766 1068202589 /nfs/dbraw/zinc/20/25/89/1068202589.db2.gz XFPZYHNYFYZCQX-OAHLLOKOSA-N 1 0 493.837 3.290 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001305120728 1068202605 /nfs/dbraw/zinc/20/26/05/1068202605.db2.gz GBCAFRQQQPRVDJ-XMXZMMKCSA-N 1 0 486.636 3.306 20 0 JGADRO C[C@H](CCn1c(Cc2ccsc2)nnc1N1CCS(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC001303669030 1068203953 /nfs/dbraw/zinc/20/39/53/1068203953.db2.gz RRHTUMBAZPHPRX-LJQANCHMSA-N 1 0 457.669 3.410 20 0 JGADRO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001305122776 1068206362 /nfs/dbraw/zinc/20/63/62/1068206362.db2.gz PPUXQOHGFIGLRX-MOPGFXCFSA-N 1 0 455.607 3.194 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H](C(F)(F)F)O1 ZINC001305123537 1068208239 /nfs/dbraw/zinc/20/82/39/1068208239.db2.gz GVPVOSYFNZVHSS-IKGGRYGDSA-N 1 0 495.550 3.202 20 0 JGADRO C[C@H](CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC001303672885 1068208945 /nfs/dbraw/zinc/20/89/45/1068208945.db2.gz FQIQMYKNWSZOEP-QVKFZJNVSA-N 1 0 491.459 3.471 20 0 JGADRO C[C@@H](CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001303674776 1068212862 /nfs/dbraw/zinc/21/28/62/1068212862.db2.gz PPEPHZYWLPEWJJ-YADARESESA-N 1 0 456.660 3.191 20 0 JGADRO C[C@@H]1OCC[C@@]12CN(c1nnc(C(C)(C)C)n1Cc1cccc(OCC[NH+](C)C)c1)C[C@@H](C)O2 ZINC001305127234 1068213488 /nfs/dbraw/zinc/21/34/88/1068213488.db2.gz JEVJBZINTJHSNN-BVFVYWQFSA-N 1 0 471.646 3.337 20 0 JGADRO C[C@H]1OCC[C@]12CN(c1nnc(C(C)(C)C)n1Cc1cccc(OCC[NH+](C)C)c1)C[C@@H](C)O2 ZINC001305127236 1068213531 /nfs/dbraw/zinc/21/35/31/1068213531.db2.gz JEVJBZINTJHSNN-KYTVRQNUSA-N 1 0 471.646 3.337 20 0 JGADRO CC(C)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001305127707 1068214008 /nfs/dbraw/zinc/21/40/08/1068214008.db2.gz BQZGQTBIBCTJBW-CJFMBICVSA-N 1 0 457.619 3.165 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001303676428 1068214915 /nfs/dbraw/zinc/21/49/15/1068214915.db2.gz YKGMZONDBCVBFP-FQEVSTJZSA-N 1 0 471.650 3.297 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001303675895 1068215084 /nfs/dbraw/zinc/21/50/84/1068215084.db2.gz VLYCFPJGKAXJRH-QHAWAJNXSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1([NH+](C)C)CCSC1)c1nccs1 ZINC001303676534 1068215413 /nfs/dbraw/zinc/21/54/13/1068215413.db2.gz ZBAKUKHPXCGPOV-KSFYIVLOSA-N 1 0 486.671 3.059 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001305131425 1068216572 /nfs/dbraw/zinc/21/65/72/1068216572.db2.gz CUVIMILPYNRPQQ-IYBDPMFKSA-N 1 0 453.429 3.390 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001305131424 1068216656 /nfs/dbraw/zinc/21/66/56/1068216656.db2.gz CUVIMILPYNRPQQ-HZPDHXFCSA-N 1 0 453.429 3.390 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C)S1 ZINC001305133137 1068218898 /nfs/dbraw/zinc/21/88/98/1068218898.db2.gz LMTOJFKMMHAPQW-MDOVXXIYSA-N 1 0 466.449 3.104 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCC(O)CC2)CC(C)(C)O1 ZINC001305133830 1068220485 /nfs/dbraw/zinc/22/04/85/1068220485.db2.gz AZRVWIVZDQSKEM-KRWDZBQOSA-N 1 0 479.572 3.397 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001305134941 1068222653 /nfs/dbraw/zinc/22/26/53/1068222653.db2.gz BSMLOKBKZIJEGT-IUODEOHRSA-N 1 0 477.329 3.288 20 0 JGADRO C[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001305137589 1068228175 /nfs/dbraw/zinc/22/81/75/1068228175.db2.gz VYSHASKCMCDIAO-HAGHYFMRSA-N 1 0 494.731 3.129 20 0 JGADRO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001303689361 1068228776 /nfs/dbraw/zinc/22/87/76/1068228776.db2.gz SGQXCSUGFHNTPY-APWZRJJASA-N 1 0 463.026 3.063 20 0 JGADRO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001303690309 1068230291 /nfs/dbraw/zinc/23/02/91/1068230291.db2.gz YNWUFYFQRNBMKO-FGZHOGPDSA-N 1 0 488.652 3.239 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[N@H+](C)C1CC1 ZINC001303691624 1068231617 /nfs/dbraw/zinc/23/16/17/1068231617.db2.gz GIQKGYFUHMTDSN-ROUUACIJSA-N 1 0 495.093 3.189 20 0 JGADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H]1c1nncn1C)[NH+](C)C ZINC001303692569 1068234648 /nfs/dbraw/zinc/23/46/48/1068234648.db2.gz ZDCTVNJOKOPGDJ-SUMWQHHRSA-N 1 0 477.386 3.267 20 0 JGADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1c1nncn1C)[NH+](C)C ZINC001303692567 1068234705 /nfs/dbraw/zinc/23/47/05/1068234705.db2.gz ZDCTVNJOKOPGDJ-DYVFJYSZSA-N 1 0 477.386 3.267 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](Cn2cccn2)C1)[NH+](C)C ZINC001303693768 1068236530 /nfs/dbraw/zinc/23/65/30/1068236530.db2.gz JLHACIVEBJPXGO-WBVHZDCISA-N 1 0 464.401 3.304 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001303693643 1068236609 /nfs/dbraw/zinc/23/66/09/1068236609.db2.gz ATKZKJBPTBSWQI-IRXDYDNUSA-N 1 0 459.545 3.299 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)C2)C1 ZINC001305141927 1068237410 /nfs/dbraw/zinc/23/74/10/1068237410.db2.gz CAXOETXLMLMFHJ-MOPGFXCFSA-N 1 0 477.700 3.411 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303694988 1068237748 /nfs/dbraw/zinc/23/77/48/1068237748.db2.gz QUVNESUSKDLLPO-GHTZIAJQSA-N 1 0 487.626 3.081 20 0 JGADRO C[C@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303694992 1068237778 /nfs/dbraw/zinc/23/77/78/1068237778.db2.gz QUVNESUSKDLLPO-WIYYLYMNSA-N 1 0 487.626 3.081 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCSCC2)C[C@H](C)O1 ZINC001305142446 1068239541 /nfs/dbraw/zinc/23/95/41/1068239541.db2.gz JIXSSBDVQXALRF-KBPBESRZSA-N 1 0 472.478 3.432 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCc2sccc2C1)[NH+](C)C ZINC001303696547 1068240069 /nfs/dbraw/zinc/24/00/69/1068240069.db2.gz RFKQHNNNUNDVIR-INIZCTEOSA-N 1 0 459.641 3.313 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303698689 1068241434 /nfs/dbraw/zinc/24/14/34/1068241434.db2.gz FDAKIHSMZNNVFC-SFTDATJTSA-N 1 0 484.645 3.359 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001303699320 1068241996 /nfs/dbraw/zinc/24/19/96/1068241996.db2.gz IAMSSJUDZXOORW-IRXDYDNUSA-N 1 0 472.435 3.460 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C)S1 ZINC001305143660 1068242282 /nfs/dbraw/zinc/24/22/82/1068242282.db2.gz VJFDOVVXFDYZBN-MDOVXXIYSA-N 1 0 466.449 3.104 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)C1)[NH+]1CCCC1 ZINC001305144661 1068244949 /nfs/dbraw/zinc/24/49/49/1068244949.db2.gz RAOFSFDNYHYACF-NQIIRXRSSA-N 1 0 477.700 3.411 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCC2)CCN1CC(F)(F)F ZINC001305145154 1068245488 /nfs/dbraw/zinc/24/54/88/1068245488.db2.gz DPRPEPADPUALBP-HNNXBMFYSA-N 1 0 457.932 3.162 20 0 JGADRO C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[NH+](C)C ZINC001303701898 1068246320 /nfs/dbraw/zinc/24/63/20/1068246320.db2.gz XTEHRKCSFPINKN-MRXNPFEDSA-N 1 0 468.993 3.194 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001303701969 1068246383 /nfs/dbraw/zinc/24/63/83/1068246383.db2.gz YRMJYWRIPXNZRR-RJGXRXQPSA-N 1 0 477.657 3.406 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)[NH+](C)C ZINC001303703007 1068247002 /nfs/dbraw/zinc/24/70/02/1068247002.db2.gz IRJPZYWODCPSIA-BJLQDIEVSA-N 1 0 457.623 3.069 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303707279 1068252339 /nfs/dbraw/zinc/25/23/39/1068252339.db2.gz HTYRXJRVPZNZNM-SFHVURJKSA-N 1 0 486.665 3.245 20 0 JGADRO C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)c1cccs1)[NH+](C)C ZINC001303707418 1068252373 /nfs/dbraw/zinc/25/23/73/1068252373.db2.gz HJONRAJCOPVDFC-CVEARBPZSA-N 1 0 451.600 3.401 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303707944 1068253593 /nfs/dbraw/zinc/25/35/93/1068253593.db2.gz KMIAXCRCXKAVRW-MOPGFXCFSA-N 1 0 470.622 3.055 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOCC[NH+](C)C)Cc2ccccc2O1 ZINC001305150431 1068255821 /nfs/dbraw/zinc/25/58/21/1068255821.db2.gz LCTHLKHKIJEGSW-QGZVFWFLSA-N 1 0 456.978 3.359 20 0 JGADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1)[N@H+](C)Cc1ccccc1 ZINC001303709674 1068256246 /nfs/dbraw/zinc/25/62/46/1068256246.db2.gz YRRXQUIJHFLZCM-LJQANCHMSA-N 1 0 467.618 3.034 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1)[NH+](C)C ZINC001303711893 1068257327 /nfs/dbraw/zinc/25/73/27/1068257327.db2.gz HFWZOZKWQYDSGL-KSSFIOAISA-N 1 0 499.969 3.178 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)CCN1CC(F)(F)F ZINC001305152695 1068259356 /nfs/dbraw/zinc/25/93/56/1068259356.db2.gz SNKDVBWUJAIZNC-GOSISDBHSA-N 1 0 497.585 3.183 20 0 JGADRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303714008 1068259510 /nfs/dbraw/zinc/25/95/10/1068259510.db2.gz SNMOOCKFNGOJCV-IFMALSPDSA-N 1 0 488.702 3.174 20 0 JGADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303714011 1068259649 /nfs/dbraw/zinc/25/96/49/1068259649.db2.gz SNMOOCKFNGOJCV-UNMCSNQZSA-N 1 0 488.702 3.174 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001305153191 1068261272 /nfs/dbraw/zinc/26/12/72/1068261272.db2.gz XZCJBWBZCBRXBW-DENIHFKCSA-N 1 0 461.054 3.486 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303715548 1068261601 /nfs/dbraw/zinc/26/16/01/1068261601.db2.gz DCEIGEHLVKADRS-TZIWHRDSSA-N 1 0 480.579 3.377 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303715547 1068261695 /nfs/dbraw/zinc/26/16/95/1068261695.db2.gz DCEIGEHLVKADRS-PZJWPPBQSA-N 1 0 480.579 3.377 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001305154303 1068262954 /nfs/dbraw/zinc/26/29/54/1068262954.db2.gz MQSWTYCIVLNPNK-MRXNPFEDSA-N 1 0 464.408 3.044 20 0 JGADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CCOC1)[N@H+](C)C1CC1 ZINC001303715879 1068263212 /nfs/dbraw/zinc/26/32/12/1068263212.db2.gz FHBQEVROESXXAD-MOPGFXCFSA-N 1 0 476.666 3.348 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303716211 1068263278 /nfs/dbraw/zinc/26/32/78/1068263278.db2.gz DPKJACBRQULFPA-MOPGFXCFSA-N 1 0 476.666 3.491 20 0 JGADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H]1CCOC1)[N@H+](C)C1CC1 ZINC001303715880 1068263308 /nfs/dbraw/zinc/26/33/08/1068263308.db2.gz FHBQEVROESXXAD-OALUTQOASA-N 1 0 476.666 3.348 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1)[NH+](C)C ZINC001303717073 1068265203 /nfs/dbraw/zinc/26/52/03/1068265203.db2.gz ITJCUIRJCZRWQS-AABGKKOBSA-N 1 0 462.664 3.041 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+](C)C ZINC001303717385 1068265745 /nfs/dbraw/zinc/26/57/45/1068265745.db2.gz KUJOLWPYRKIHGO-RXVVDRJESA-N 1 0 499.660 3.078 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001305157102 1068265748 /nfs/dbraw/zinc/26/57/48/1068265748.db2.gz JQBNVRXIFKDVQY-PZJWPPBQSA-N 1 0 453.635 3.155 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCC(F)(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC001303719602 1068268467 /nfs/dbraw/zinc/26/84/67/1068268467.db2.gz YOOPALHIVNHJEV-MOPGFXCFSA-N 1 0 466.552 3.381 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303719599 1068268525 /nfs/dbraw/zinc/26/85/25/1068268525.db2.gz YNWVJYPAAWZFQB-URXFXBBRSA-N 1 0 482.673 3.387 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305159915 1068268631 /nfs/dbraw/zinc/26/86/31/1068268631.db2.gz GSQJLLBOVCQERK-OALUTQOASA-N 1 0 459.639 3.363 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H](C(F)(F)F)O1 ZINC001305161385 1068269257 /nfs/dbraw/zinc/26/92/57/1068269257.db2.gz NFHBXTDNKIUWGG-UTKZUKDTSA-N 1 0 492.546 3.428 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCCC[NH+]2CCCCC2)C[C@H](C(F)(F)F)O1 ZINC001305163261 1068271570 /nfs/dbraw/zinc/27/15/70/1068271570.db2.gz DPXWOJGBIWJOHK-IEBWSBKVSA-N 1 0 469.556 3.491 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001303723159 1068273157 /nfs/dbraw/zinc/27/31/57/1068273157.db2.gz FUGZYXZYBGDKEC-BRWVUGGUSA-N 1 0 490.571 3.315 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001303723584 1068274462 /nfs/dbraw/zinc/27/44/62/1068274462.db2.gz UPASAVNTAUBEPV-OALUTQOASA-N 1 0 464.655 3.348 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC001303723730 1068274787 /nfs/dbraw/zinc/27/47/87/1068274787.db2.gz VEJXIZYSTGSOEP-SZVBFZGTSA-N 1 0 453.509 3.329 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C1CCC1)[NH+](C)C ZINC001303725475 1068276892 /nfs/dbraw/zinc/27/68/92/1068276892.db2.gz VUSFZAUVORGSTB-HOJAQTOUSA-N 1 0 462.639 3.306 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C1CCC1)[NH+](C)C ZINC001303725478 1068277571 /nfs/dbraw/zinc/27/75/71/1068277571.db2.gz VUSFZAUVORGSTB-RLLQIKCJSA-N 1 0 462.639 3.306 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001305166995 1068277754 /nfs/dbraw/zinc/27/77/54/1068277754.db2.gz JCODWPCCMTZHRV-YJBOKZPZSA-N 1 0 493.534 3.480 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC(C)(C)C1 ZINC001305167727 1068278733 /nfs/dbraw/zinc/27/87/33/1068278733.db2.gz BFQALZJEXAYKAX-UGKGYDQZSA-N 1 0 468.646 3.285 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001303726622 1068279417 /nfs/dbraw/zinc/27/94/17/1068279417.db2.gz GKXNHKDJTUHLOR-ROUUACIJSA-N 1 0 460.598 3.404 20 0 JGADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001303726618 1068279427 /nfs/dbraw/zinc/27/94/27/1068279427.db2.gz GKXNHKDJTUHLOR-MSOLQXFVSA-N 1 0 460.598 3.404 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303727030 1068280447 /nfs/dbraw/zinc/28/04/47/1068280447.db2.gz IXYJJAQIRJMNRA-XLIONFOSSA-N 1 0 460.598 3.404 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001303727201 1068280585 /nfs/dbraw/zinc/28/05/85/1068280585.db2.gz JVECILKFVDSCFL-ROUUACIJSA-N 1 0 457.623 3.298 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N(CCO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC001303728322 1068282867 /nfs/dbraw/zinc/28/28/67/1068282867.db2.gz MBWURHXDIGTRJL-INIZCTEOSA-N 1 0 491.409 3.115 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001305173689 1068285696 /nfs/dbraw/zinc/28/56/96/1068285696.db2.gz DYWFUXRAHPOEOE-GOSISDBHSA-N 1 0 462.639 3.102 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305173707 1068286371 /nfs/dbraw/zinc/28/63/71/1068286371.db2.gz FKFDFCRJCMATSZ-FGTMMUONSA-N 1 0 459.557 3.450 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1)C(C)C ZINC001305174999 1068287387 /nfs/dbraw/zinc/28/73/87/1068287387.db2.gz LCBOWHOJVVWGRD-CEMLEFRQSA-N 1 0 454.619 3.314 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)[NH+](C)C ZINC001303731757 1068287555 /nfs/dbraw/zinc/28/75/55/1068287555.db2.gz PMHRCVZDFZFVPF-DYESRHJHSA-N 1 0 472.540 3.393 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001305176013 1068288484 /nfs/dbraw/zinc/28/84/84/1068288484.db2.gz QYEZLSBAXNVTCO-UUOWRZLLSA-N 1 0 494.706 3.055 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305176369 1068289500 /nfs/dbraw/zinc/28/95/00/1068289500.db2.gz AGNIUNXSOJUQMP-RTBURBONSA-N 1 0 464.655 3.206 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC001305177611 1068291556 /nfs/dbraw/zinc/29/15/56/1068291556.db2.gz XXRABANSWWKYRH-SJBKTWHCSA-N 1 0 457.619 3.165 20 0 JGADRO C[C@H](Cn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC001303734939 1068291738 /nfs/dbraw/zinc/29/17/38/1068291738.db2.gz RPYCRVYKUDVNOI-OAQYLSRUSA-N 1 0 488.702 3.003 20 0 JGADRO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC001303734938 1068291810 /nfs/dbraw/zinc/29/18/10/1068291810.db2.gz RPYCRVYKUDVNOI-NRFANRHFSA-N 1 0 488.702 3.003 20 0 JGADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001303734971 1068291828 /nfs/dbraw/zinc/29/18/28/1068291828.db2.gz SRQZQSBCAOFUPG-QHCPKHFHSA-N 1 0 468.690 3.485 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001303735724 1068293471 /nfs/dbraw/zinc/29/34/71/1068293471.db2.gz CMANFUOIPGSYGT-FQEVSTJZSA-N 1 0 478.645 3.221 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001303737500 1068295721 /nfs/dbraw/zinc/29/57/21/1068295721.db2.gz OTVUPFBOAKWEDL-KRWDZBQOSA-N 1 0 463.026 3.155 20 0 JGADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+](C)C ZINC001303738745 1068298087 /nfs/dbraw/zinc/29/80/87/1068298087.db2.gz VPCYSUATMDZZNP-CABCVRRESA-N 1 0 469.417 3.206 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCSCC2)CCCO1 ZINC001305181881 1068298772 /nfs/dbraw/zinc/29/87/72/1068298772.db2.gz XEVLMYFMZPQFIA-PMACEKPBSA-N 1 0 494.706 3.057 20 0 JGADRO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001303739272 1068299353 /nfs/dbraw/zinc/29/93/53/1068299353.db2.gz YAXRMLXBIOUGPC-MDZRGWNJSA-N 1 0 463.051 3.136 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183711 1068301642 /nfs/dbraw/zinc/30/16/42/1068301642.db2.gz RMSIDPITESPJDT-ZCNNSNEGSA-N 1 0 451.681 3.173 20 0 JGADRO C[C@H](c1nccs1)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001303743182 1068301904 /nfs/dbraw/zinc/30/19/04/1068301904.db2.gz AXDAYEALBKQISU-MTQWCTHYSA-N 1 0 475.707 3.487 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303743519 1068302534 /nfs/dbraw/zinc/30/25/34/1068302534.db2.gz DEOGMWXQMCLCLC-HSALFYBXSA-N 1 0 462.639 3.450 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001303744235 1068303959 /nfs/dbraw/zinc/30/39/59/1068303959.db2.gz GPGYLYJIKPYYIJ-IFMALSPDSA-N 1 0 454.619 3.196 20 0 JGADRO C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303744149 1068303973 /nfs/dbraw/zinc/30/39/73/1068303973.db2.gz APBUWEGXUSWYCY-LEWJYISDSA-N 1 0 467.662 3.451 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1)[NH+](C)C ZINC001303744298 1068304277 /nfs/dbraw/zinc/30/42/77/1068304277.db2.gz IAUWLRSGTQLBSU-KSEOMHKRSA-N 1 0 474.694 3.376 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC001303744351 1068304294 /nfs/dbraw/zinc/30/42/94/1068304294.db2.gz HINUXJAISMVTOK-FGTMMUONSA-N 1 0 481.613 3.388 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C[C@H]1SCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCC[NH+](C)C)[C@H]1C ZINC001305255661 1068418650 /nfs/dbraw/zinc/41/86/50/1068418650.db2.gz NWYTTYYPJZNIAJ-RBUKOAKNSA-N 1 0 496.722 3.301 20 0 JGADRO C[C@H]1SCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCC[NH+](C)C)[C@@H]1C ZINC001305255662 1068418686 /nfs/dbraw/zinc/41/86/86/1068418686.db2.gz NWYTTYYPJZNIAJ-RTBURBONSA-N 1 0 496.722 3.301 20 0 JGADRO C[C@H]1SCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[NH+]2CCCCC2)[C@@H]1C ZINC001305256798 1068420024 /nfs/dbraw/zinc/42/00/24/1068420024.db2.gz RSRTYODTOMCWJT-RTBURBONSA-N 1 0 492.715 3.012 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001303812350 1068422411 /nfs/dbraw/zinc/42/24/11/1068422411.db2.gz XNYVZAQIMFQUBS-MRXNPFEDSA-N 1 0 484.617 3.067 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+](C)C(C)C)C1 ZINC001305261725 1068431411 /nfs/dbraw/zinc/43/14/11/1068431411.db2.gz IFDKHTWAMFSMQC-KRWDZBQOSA-N 1 0 480.455 3.261 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001303817853 1068431500 /nfs/dbraw/zinc/43/15/00/1068431500.db2.gz UCENLLVKCUTFOF-PKOBYXMFSA-N 1 0 480.704 3.413 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303818265 1068432192 /nfs/dbraw/zinc/43/21/92/1068432192.db2.gz ATBIIVAAMYLFPT-UWJYYQICSA-N 1 0 492.665 3.317 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001305262166 1068432921 /nfs/dbraw/zinc/43/29/21/1068432921.db2.gz INPYLBUQZQCBCE-HXUWFJFHSA-N 1 0 460.667 3.106 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCCC2)C1 ZINC001305262429 1068434088 /nfs/dbraw/zinc/43/40/88/1068434088.db2.gz BJQXBTUNKFPVJD-AZUAARDMSA-N 1 0 458.582 3.148 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001305263873 1068439281 /nfs/dbraw/zinc/43/92/81/1068439281.db2.gz HEWFKHWEHWLMPC-IBGZPJMESA-N 1 0 494.644 3.208 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001305264532 1068442389 /nfs/dbraw/zinc/44/23/89/1068442389.db2.gz GOVAWMWTXXZBQY-YADHBBJMSA-N 1 0 456.610 3.377 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001305265592 1068443698 /nfs/dbraw/zinc/44/36/98/1068443698.db2.gz HNJZCPAAQJBBCH-IFMALSPDSA-N 1 0 454.619 3.001 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303826667 1068444238 /nfs/dbraw/zinc/44/42/38/1068444238.db2.gz MAOYHQXPQGILKA-ONTIZHBOSA-N 1 0 488.702 3.393 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001303827172 1068445651 /nfs/dbraw/zinc/44/56/51/1068445651.db2.gz OSCOXVZCRXOOMF-HXHBTQRASA-N 1 0 492.665 3.174 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001305265760 1068446815 /nfs/dbraw/zinc/44/68/15/1068446815.db2.gz IDBSBRBMPONVEU-HXUWFJFHSA-N 1 0 454.619 3.145 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303828396 1068449038 /nfs/dbraw/zinc/44/90/38/1068449038.db2.gz VMSOPLFZLSDFLW-FHWLQOOXSA-N 1 0 460.648 3.234 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001305266858 1068451377 /nfs/dbraw/zinc/45/13/77/1068451377.db2.gz PKTVSSVHFMKQLZ-ICSRJNTNSA-N 1 0 455.632 3.143 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001305267670 1068455260 /nfs/dbraw/zinc/45/52/60/1068455260.db2.gz NHYBTUKPQDGCHV-DNVJHFABSA-N 1 0 490.693 3.152 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC001303832694 1068459246 /nfs/dbraw/zinc/45/92/46/1068459246.db2.gz YUKXNIHBVAQWMN-QKNQBKEWSA-N 1 0 492.665 3.142 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CC1(C)CC1 ZINC001303834211 1068461977 /nfs/dbraw/zinc/46/19/77/1068461977.db2.gz MOKFSUSNFRPYNE-MOPGFXCFSA-N 1 0 466.696 3.169 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CC1(C)CC1 ZINC001303834214 1068461987 /nfs/dbraw/zinc/46/19/87/1068461987.db2.gz MOKFSUSNFRPYNE-RTBURBONSA-N 1 0 466.696 3.169 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H]1CCCS1 ZINC001303835070 1068464010 /nfs/dbraw/zinc/46/40/10/1068464010.db2.gz VOYCTOWFRHROJY-ZJOUEHCJSA-N 1 0 498.763 3.265 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CCC1CC1 ZINC001303835134 1068464102 /nfs/dbraw/zinc/46/41/02/1068464102.db2.gz WGILODNGJOHFOS-RTBURBONSA-N 1 0 466.696 3.169 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001305270873 1068467190 /nfs/dbraw/zinc/46/71/90/1068467190.db2.gz XYJQPWZPFJYZBX-OAQYLSRUSA-N 1 0 465.577 3.106 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001305272643 1068472196 /nfs/dbraw/zinc/47/21/96/1068472196.db2.gz YBDCEEDVDFTCJL-FGZHOGPDSA-N 1 0 456.610 3.377 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001303843150 1068472919 /nfs/dbraw/zinc/47/29/19/1068472919.db2.gz VJEGPTACNRMZGP-UXHICEINSA-N 1 0 466.696 3.313 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001305272888 1068473416 /nfs/dbraw/zinc/47/34/16/1068473416.db2.gz VLYVJCMSNLKAQS-SFTDATJTSA-N 1 0 454.619 3.145 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305272945 1068474029 /nfs/dbraw/zinc/47/40/29/1068474029.db2.gz ZBULBGZWXJGRHL-MOPGFXCFSA-N 1 0 474.600 3.374 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1)[NH+]1CCCC1 ZINC001303844832 1068477431 /nfs/dbraw/zinc/47/74/31/1068477431.db2.gz VNQAVQIPVGXQAP-LAUBAEHRSA-N 1 0 495.093 3.225 20 0 JGADRO CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001305276709 1068478279 /nfs/dbraw/zinc/47/82/79/1068478279.db2.gz GMKASXJLLFWZDM-FQEVSTJZSA-N 1 0 484.645 3.141 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC1=CCCCC1 ZINC001303850324 1068485435 /nfs/dbraw/zinc/48/54/35/1068485435.db2.gz SSRLNVOYOCLZMF-ONTIZHBOSA-N 1 0 478.707 3.480 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001303851235 1068488613 /nfs/dbraw/zinc/48/86/13/1068488613.db2.gz DFHLBJVDBVDCLC-SLFFLAALSA-N 1 0 478.663 3.477 20 0 JGADRO CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001305287640 1068489553 /nfs/dbraw/zinc/48/95/53/1068489553.db2.gz SKROHLDPDBFIDG-FQEVSTJZSA-N 1 0 470.666 3.045 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1CC[NH+]1CCCCCC1 ZINC001303851534 1068489628 /nfs/dbraw/zinc/48/96/28/1068489628.db2.gz GQYRVBJINFSWOF-NQIIRXRSSA-N 1 0 478.638 3.245 20 0 JGADRO CC[C@@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001305287846 1068490242 /nfs/dbraw/zinc/49/02/42/1068490242.db2.gz LASYWKJAIUWFDR-UQBPGWFLSA-N 1 0 485.608 3.164 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2CCC[C@H]21)C(C)C ZINC001303851842 1068490897 /nfs/dbraw/zinc/49/08/97/1068490897.db2.gz IRLZDPMJAJFVPJ-SLFFLAALSA-N 1 0 454.685 3.166 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C1CC(C(C)(C)C)C1 ZINC001303853687 1068493656 /nfs/dbraw/zinc/49/36/56/1068493656.db2.gz SCAAXSKBHBRIPT-WWDZGPRUSA-N 1 0 454.685 3.196 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001303858989 1068499889 /nfs/dbraw/zinc/49/98/89/1068499889.db2.gz ZFVYMCRJAPYKLX-PGYGNJIDSA-N 1 0 466.696 3.340 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001305295090 1068501913 /nfs/dbraw/zinc/50/19/13/1068501913.db2.gz BIZVSECNMNXCNT-QFIPXVFZSA-N 1 0 478.435 3.409 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305295421 1068502467 /nfs/dbraw/zinc/50/24/67/1068502467.db2.gz QJVJJGYXZSIIRP-UGKGYDQZSA-N 1 0 478.435 3.170 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCc1ccc(Cl)cc1 ZINC001303865384 1068502660 /nfs/dbraw/zinc/50/26/60/1068502660.db2.gz SBTFHQOEHIVLBX-SFHVURJKSA-N 1 0 497.109 3.343 20 0 JGADRO CC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001305299452 1068508032 /nfs/dbraw/zinc/50/80/32/1068508032.db2.gz MTBIDRKMXYORMV-NNPDTBDGSA-N 1 0 476.666 3.227 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303874887 1068509083 /nfs/dbraw/zinc/50/90/83/1068509083.db2.gz FKUAMYNCTBFOER-RTBURBONSA-N 1 0 498.763 3.265 20 0 JGADRO CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001305301928 1068510787 /nfs/dbraw/zinc/51/07/87/1068510787.db2.gz VVYNOSSTVGRHRB-ZDQHKECQSA-N 1 0 476.666 3.227 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001305302978 1068511804 /nfs/dbraw/zinc/51/18/04/1068511804.db2.gz WQSGYKXDBIXWGF-VWLOTQADSA-N 1 0 450.587 3.011 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303879063 1068514321 /nfs/dbraw/zinc/51/43/21/1068514321.db2.gz VFOLUKWZCXYZQZ-ZMMAXQRCSA-N 1 0 490.665 3.126 20 0 JGADRO CC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001305307340 1068515427 /nfs/dbraw/zinc/51/54/27/1068515427.db2.gz LKJPMUHGXGJOFR-KYTVRQNUSA-N 1 0 490.643 3.303 20 0 JGADRO CC[C@@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001305308314 1068516358 /nfs/dbraw/zinc/51/63/58/1068516358.db2.gz DXAPYBFWRHJRBN-RUZDIDTESA-N 1 0 483.686 3.486 20 0 JGADRO CC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001305308795 1068517475 /nfs/dbraw/zinc/51/74/75/1068517475.db2.gz AQBGTWKGHNDMRB-AREMUKBSSA-N 1 0 471.646 3.184 20 0 JGADRO CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001305311103 1068520985 /nfs/dbraw/zinc/52/09/85/1068520985.db2.gz JJBSRGJQNFKEBQ-VWLOTQADSA-N 1 0 482.654 3.143 20 0 JGADRO CS(C)(=O)=NCC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)CC1 ZINC001303882685 1068521422 /nfs/dbraw/zinc/52/14/22/1068521422.db2.gz AZNUOCPXQOIHQP-NHCUHLMSSA-N 1 0 460.669 3.325 20 0 JGADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001303887589 1068525379 /nfs/dbraw/zinc/52/53/79/1068525379.db2.gz KJRASQRKQOOIJL-FCGDIQPGSA-N 1 0 493.649 3.299 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001305314984 1068528507 /nfs/dbraw/zinc/52/85/07/1068528507.db2.gz QHRYVWQSZJAWHS-UZINWLIJSA-N 1 0 470.662 3.314 20 0 JGADRO CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001305314818 1068528876 /nfs/dbraw/zinc/52/88/76/1068528876.db2.gz JSTRFTPNXDBQAK-HWBMXIPRSA-N 1 0 463.667 3.256 20 0 JGADRO CC[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001305315648 1068529659 /nfs/dbraw/zinc/52/96/59/1068529659.db2.gz UAUUEIMHXMPRTJ-AREMUKBSSA-N 1 0 455.647 3.163 20 0 JGADRO CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001305315698 1068529694 /nfs/dbraw/zinc/52/96/94/1068529694.db2.gz VGZJMIHWSJGASJ-LFAGZIFBSA-N 1 0 457.667 3.392 20 0 JGADRO CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001305316714 1068531626 /nfs/dbraw/zinc/53/16/26/1068531626.db2.gz ZGCVKYZZEXAWIB-VWLOTQADSA-N 1 0 457.667 3.393 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCCC1 ZINC001303894217 1068532562 /nfs/dbraw/zinc/53/25/62/1068532562.db2.gz ZMDZRVAHUKYDNL-UYAOXDASSA-N 1 0 479.622 3.057 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[C@H]2COCCO2)CC1 ZINC001303896672 1068536306 /nfs/dbraw/zinc/53/63/06/1068536306.db2.gz BCYZEXKSTLXTSW-KNQAVFIVSA-N 1 0 461.582 3.283 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001305321496 1068539734 /nfs/dbraw/zinc/53/97/34/1068539734.db2.gz GOUYAFNNDUFAAM-CUVVAGTFSA-N 1 0 466.630 3.447 20 0 JGADRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305321915 1068540748 /nfs/dbraw/zinc/54/07/48/1068540748.db2.gz JEZMRWQTQFGHJO-IBVKSMDESA-N 1 0 495.676 3.276 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cnnn1C ZINC001303899004 1068541269 /nfs/dbraw/zinc/54/12/69/1068541269.db2.gz STQKBXJLSLNBKY-QGZVFWFLSA-N 1 0 456.570 3.045 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001305322532 1068541570 /nfs/dbraw/zinc/54/15/70/1068541570.db2.gz OWNCNUQYUIGMHV-FBRPZDKASA-N 1 0 486.661 3.023 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001303900045 1068543270 /nfs/dbraw/zinc/54/32/70/1068543270.db2.gz XTUCSUAJKZZOSO-CYFREDJKSA-N 1 0 461.582 3.283 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001305324129 1068544684 /nfs/dbraw/zinc/54/46/84/1068544684.db2.gz RLSZCXICQOITPB-RXFWQSSRSA-N 1 0 487.645 3.060 20 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CC[C@@H](C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001305570191 1068844524 /nfs/dbraw/zinc/84/45/24/1068844524.db2.gz FMCXRVJVTYXBMD-HSALFYBXSA-N 1 0 464.655 3.252 20 0 JGADRO CC[C@H](C)c1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001305572377 1068846127 /nfs/dbraw/zinc/84/61/27/1068846127.db2.gz SOVDYGPIOKJTGO-VNTMZGSJSA-N 1 0 492.665 3.026 20 0 JGADRO CC[C@H](C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305574348 1068847861 /nfs/dbraw/zinc/84/78/61/1068847861.db2.gz XFUBOINGFKKEJO-MHPIHPPYSA-N 1 0 476.666 3.130 20 0 JGADRO CC[C@@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001305577213 1068849824 /nfs/dbraw/zinc/84/98/24/1068849824.db2.gz KKBOFSSWYVSEPT-IAGOWNOFSA-N 1 0 467.456 3.497 20 0 JGADRO CC[C@H](C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305577214 1068850058 /nfs/dbraw/zinc/85/00/58/1068850058.db2.gz KKBOFSSWYVSEPT-IRXDYDNUSA-N 1 0 467.456 3.497 20 0 JGADRO CC[C@H](C)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1cc(C)nn1C ZINC001305595075 1068860583 /nfs/dbraw/zinc/86/05/83/1068860583.db2.gz YIMGQVYETYRBCP-NRFANRHFSA-N 1 0 464.662 3.215 20 0 JGADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305603004 1068866249 /nfs/dbraw/zinc/86/62/49/1068866249.db2.gz HTFBIGATEJAPDX-PMACEKPBSA-N 1 0 491.681 3.080 20 0 JGADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001305603034 1068866314 /nfs/dbraw/zinc/86/63/14/1068866314.db2.gz ICRWILNKWFZKRY-ROUUACIJSA-N 1 0 460.627 3.037 20 0 JGADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001305603232 1068866853 /nfs/dbraw/zinc/86/68/53/1068866853.db2.gz KEEJZLNARCNRRA-FQEVSTJZSA-N 1 0 479.633 3.077 20 0 JGADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001305603298 1068866927 /nfs/dbraw/zinc/86/69/27/1068866927.db2.gz BBZZNBILAYANJW-KRWDZBQOSA-N 1 0 483.082 3.237 20 0 JGADRO 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/nfs/dbraw/zinc/09/14/32/1069091432.db2.gz MSMYNWPDWGDEKG-HSZRJFAPSA-N 1 0 489.064 3.226 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001305704978 1069092293 /nfs/dbraw/zinc/09/22/93/1069092293.db2.gz HJADPBSHHWHJQS-VXKWHMMOSA-N 1 0 453.635 3.298 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(C)nn(C)c1C)[NH+]1CCOCC1 ZINC001305704984 1069092978 /nfs/dbraw/zinc/09/29/78/1069092978.db2.gz HLOOIMJZSJVEFV-HSZRJFAPSA-N 1 0 468.650 3.397 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(N2CCCC2=O)CC1)[NH+](C)C ZINC001305705742 1069093422 /nfs/dbraw/zinc/09/34/22/1069093422.db2.gz JQOIZEDFSUSQSQ-QFIPXVFZSA-N 1 0 455.651 3.241 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(OC)c2)CC1)[NH+](C)C ZINC001305705794 1069094783 /nfs/dbraw/zinc/09/47/83/1069094783.db2.gz KBTSSYKJSKTUAE-DEOSSOPVSA-N 1 0 480.661 3.380 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@]2(CCOC2)C1)[NH+](C)C ZINC001305705970 1069094816 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/nfs/dbraw/zinc/09/80/01/1069098001.db2.gz RLRUMQLJPPYKKV-UXHICEINSA-N 1 0 457.623 3.153 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001305707345 1069098483 /nfs/dbraw/zinc/09/84/83/1069098483.db2.gz DVPYMNWHLPTPLV-VWLOTQADSA-N 1 0 495.716 3.446 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001305707443 1069098614 /nfs/dbraw/zinc/09/86/14/1069098614.db2.gz FSPYPJILMYGDON-NOZRDPDXSA-N 1 0 482.673 3.495 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)[NH+](C)C ZINC001305708412 1069100461 /nfs/dbraw/zinc/10/04/61/1069100461.db2.gz VKCNDFCDRMGDHD-OFVILXPXSA-N 1 0 456.635 3.481 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](C)(C(=O)NC)C1)[NH+](C)C ZINC001305708560 1069101266 /nfs/dbraw/zinc/10/12/66/1069101266.db2.gz KSZDREAVFMBOGE-FNZWTVRRSA-N 1 0 484.645 3.045 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001305708831 1069102007 /nfs/dbraw/zinc/10/20/07/1069102007.db2.gz ZABJGSUIWUTTIL-PZJWPPBQSA-N 1 0 479.633 3.019 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001305709075 1069102638 /nfs/dbraw/zinc/10/26/38/1069102638.db2.gz ZVUYEFAVQITBDU-JOCHJYFZSA-N 1 0 470.666 3.026 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001305709301 1069103220 /nfs/dbraw/zinc/10/32/20/1069103220.db2.gz OPLHKHSEYDUFAK-JOCHJYFZSA-N 1 0 487.645 3.326 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC(C)CC1)[NH+]1CCOCC1 ZINC001305709288 1069103272 /nfs/dbraw/zinc/10/32/72/1069103272.db2.gz CARJARDVQHGEAV-QJWFJBDNSA-N 1 0 460.667 3.381 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1)[NH+](C)C ZINC001305709622 1069104719 /nfs/dbraw/zinc/10/47/19/1069104719.db2.gz QQZDQWWKFNJKDK-WIOPSUGQSA-N 1 0 493.656 3.201 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCOCC1 ZINC001305709710 1069104775 /nfs/dbraw/zinc/10/47/75/1069104775.db2.gz RDPOORMAOSBRLP-HSZRJFAPSA-N 1 0 498.672 3.149 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1)[NH+](C)C ZINC001305709920 1069106109 /nfs/dbraw/zinc/10/61/09/1069106109.db2.gz CCQAMBUSBQDZOW-FGZHOGPDSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001305710344 1069107256 /nfs/dbraw/zinc/10/72/56/1069107256.db2.gz VAVAFZRAXCRWAY-ATIYNZHBSA-N 1 0 468.646 3.092 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](OC)C1)[NH+]1CCOCC1 ZINC001305710479 1069107876 /nfs/dbraw/zinc/10/78/76/1069107876.db2.gz HNWJNTXJXJWORA-XZOQPEGZSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)(C(=O)NC)C1)[NH+](C)C ZINC001305710663 1069108276 /nfs/dbraw/zinc/10/82/76/1069108276.db2.gz WULCUNFVFYVNHH-WZONZLPQSA-N 1 0 462.042 3.322 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCC2(COC(=O)N2)CC1)[NH+](C)C ZINC001305710983 1069109454 /nfs/dbraw/zinc/10/94/54/1069109454.db2.gz YDZXCQNVYXEBMO-OAQYLSRUSA-N 1 0 470.618 3.399 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)[C@H]1CC)[NH+](C)C ZINC001305711135 1069109558 /nfs/dbraw/zinc/10/95/58/1069109558.db2.gz KRYNZOOLRPQYMJ-RTWAWAEBSA-N 1 0 462.589 3.228 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1)[NH+](C)C ZINC001305711318 1069110062 /nfs/dbraw/zinc/11/00/62/1069110062.db2.gz OARJWCDROWWVAI-HSZRJFAPSA-N 1 0 476.629 3.263 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2nc(C)cc2C)CC1)[NH+](C)C ZINC001305711261 1069110138 /nfs/dbraw/zinc/11/01/38/1069110138.db2.gz NMSLJHWDPAFSMB-PKTZIBPZSA-N 1 0 484.693 3.326 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001305712097 1069112275 /nfs/dbraw/zinc/11/22/75/1069112275.db2.gz PJPHZJDZYWSEQG-RLWLMLJZSA-N 1 0 487.693 3.192 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCOCC1 ZINC001305712107 1069112309 /nfs/dbraw/zinc/11/23/09/1069112309.db2.gz PNQNLFBLNBOOFW-REWPJTCUSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305712801 1069113028 /nfs/dbraw/zinc/11/30/28/1069113028.db2.gz CRGXFFGGNUUFRN-YADHBBJMSA-N 1 0 476.710 3.454 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1)[NH+]1CCOCC1 ZINC001305712454 1069113047 /nfs/dbraw/zinc/11/30/47/1069113047.db2.gz RAGKQWJCLMERMO-YWEHKCAJSA-N 1 0 496.700 3.277 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001305712705 1069113080 /nfs/dbraw/zinc/11/30/80/1069113080.db2.gz CCJPMYHPCARTRO-HXUWFJFHSA-N 1 0 484.615 3.190 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001305713097 1069114697 /nfs/dbraw/zinc/11/46/97/1069114697.db2.gz WMQFCFWPMHIVSB-QHCPKHFHSA-N 1 0 466.634 3.155 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1)[NH+](C)C ZINC001305713542 1069115994 /nfs/dbraw/zinc/11/59/94/1069115994.db2.gz JMGAGZUELYVKTJ-FCHUYYIVSA-N 1 0 492.690 3.054 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(cc[nH]c2=O)C1)[NH+](C)C ZINC001305714330 1069117654 /nfs/dbraw/zinc/11/76/54/1069117654.db2.gz FJXKAOFQEPRSAB-BVSLBCMMSA-N 1 0 472.634 3.032 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001305714988 1069119037 /nfs/dbraw/zinc/11/90/37/1069119037.db2.gz LSTSPAAZXKCEAF-KSEOMHKRSA-N 1 0 463.667 3.313 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001305715205 1069119626 /nfs/dbraw/zinc/11/96/26/1069119626.db2.gz LTZSAFULCSRONZ-ONTIZHBOSA-N 1 0 460.667 3.020 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1)[NH+](C)C ZINC001305715358 1069120199 /nfs/dbraw/zinc/12/01/99/1069120199.db2.gz KRLZWPLWJPOMSC-DHIUTWEWSA-N 1 0 484.645 3.164 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1)[NH+](C)C ZINC001305715996 1069121595 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/nfs/dbraw/zinc/12/66/39/1069126639.db2.gz ZYWXXFLTORWZCT-UDIDDNNKSA-N 1 0 462.683 3.043 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001305720907 1069129682 /nfs/dbraw/zinc/12/96/82/1069129682.db2.gz FLGXOGDUKLFBBU-HXUWFJFHSA-N 1 0 471.675 3.490 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)CC(C)(C)C)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001305722367 1069133865 /nfs/dbraw/zinc/13/38/65/1069133865.db2.gz KSUGHQCDBLVPCE-QFIPXVFZSA-N 1 0 470.662 3.294 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305724203 1069138729 /nfs/dbraw/zinc/13/87/29/1069138729.db2.gz IYRCERVEVVIFEC-GOSISDBHSA-N 1 0 494.644 3.214 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCOC2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001305728220 1069148428 /nfs/dbraw/zinc/14/84/28/1069148428.db2.gz JDKSTGHEJOWJBY-WOJBJXKFSA-N 1 0 468.646 3.116 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305735229 1069155223 /nfs/dbraw/zinc/15/52/23/1069155223.db2.gz DTYLIMZYOUWJII-HHHXNRCGSA-N 1 0 498.672 3.103 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305736050 1069157860 /nfs/dbraw/zinc/15/78/60/1069157860.db2.gz MOARKQQNWCLWJM-RXFWQSSRSA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737258 1069160454 /nfs/dbraw/zinc/16/04/54/1069160454.db2.gz GZWKUEAXVYDYPM-RTBURBONSA-N 1 0 467.662 3.438 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCc1ccc2c[nH]nc2c1 ZINC001305738102 1069163007 /nfs/dbraw/zinc/16/30/07/1069163007.db2.gz LCUCGOKOTLYKNV-ROUUACIJSA-N 1 0 466.634 3.234 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305738461 1069164342 /nfs/dbraw/zinc/16/43/42/1069164342.db2.gz FZWSCZNADLUHAQ-UHFFFAOYSA-N 1 0 486.583 3.131 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738890 1069165073 /nfs/dbraw/zinc/16/50/73/1069165073.db2.gz MZTXHEPBARCRHH-QZTJIDSGSA-N 1 0 496.660 3.059 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CC(C)(C)c1ccccn1 ZINC001305739104 1069166256 /nfs/dbraw/zinc/16/62/56/1069166256.db2.gz JEMMSYUBTMLYNI-UYAOXDASSA-N 1 0 453.635 3.242 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC[NH+]1CCCCCC1 ZINC001305739587 1069167675 /nfs/dbraw/zinc/16/76/75/1069167675.db2.gz OUDLLZKXDSMOEF-AEFFLSMTSA-N 1 0 474.572 3.229 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](C)Oc1ccccc1OC ZINC001305739836 1069168784 /nfs/dbraw/zinc/16/87/84/1069168784.db2.gz LRRRREHKSIWPGN-DYXWJJEUSA-N 1 0 484.645 3.346 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H](OC)c1ccccc1 ZINC001305740530 1069170955 /nfs/dbraw/zinc/17/09/55/1069170955.db2.gz OZQJJRJSOQIOBP-BVYCBKJFSA-N 1 0 454.619 3.257 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001305740606 1069171138 /nfs/dbraw/zinc/17/11/38/1069171138.db2.gz MDLAMJODWDXWJX-UHFFFAOYSA-N 1 0 498.594 3.419 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305740875 1069172263 /nfs/dbraw/zinc/17/22/63/1069172263.db2.gz IVTOVQRKUDJGDC-RDPSFJRHSA-N 1 0 498.672 3.010 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305743146 1069178680 /nfs/dbraw/zinc/17/86/80/1069178680.db2.gz QVYYZDJZHMVVJR-HBMCJLEFSA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305743148 1069179400 /nfs/dbraw/zinc/17/94/00/1069179400.db2.gz QVYYZDJZHMVVJR-NJYVYQBISA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743733 1069180591 /nfs/dbraw/zinc/18/05/91/1069180591.db2.gz YEHUYIOBFLYMDM-OALUTQOASA-N 1 0 498.676 3.257 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001305744659 1069184307 /nfs/dbraw/zinc/18/43/07/1069184307.db2.gz XCQIBSXRWGXMGW-NHCUHLMSSA-N 1 0 474.625 3.500 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC(C)(C)O ZINC001305748338 1069192884 /nfs/dbraw/zinc/19/28/84/1069192884.db2.gz GQLGTYUKVFMHQB-LJQANCHMSA-N 1 0 456.635 3.068 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCC[NH+]1CCCCC1 ZINC001305750688 1069196788 /nfs/dbraw/zinc/19/67/88/1069196788.db2.gz KZRLXSNVFDABNX-UHFFFAOYSA-N 1 0 470.666 3.190 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305752487 1069200412 /nfs/dbraw/zinc/20/04/12/1069200412.db2.gz SNPQJNVWQDSYGK-UZUQRXQVSA-N 1 0 460.648 3.221 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001305753907 1069202578 /nfs/dbraw/zinc/20/25/78/1069202578.db2.gz POLMHWYHPRBMSL-UHFFFAOYSA-N 1 0 470.666 3.102 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001305754413 1069204621 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/nfs/dbraw/zinc/21/89/73/1069218973.db2.gz MXRQFSKSSWTQBD-BCHFMIIMSA-N 1 0 486.636 3.165 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001305758996 1069220070 /nfs/dbraw/zinc/22/00/70/1069220070.db2.gz NKJPKVUSYPGPIF-VWLOTQADSA-N 1 0 462.683 3.495 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C2)CCCOC3)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305759224 1069220570 /nfs/dbraw/zinc/22/05/70/1069220570.db2.gz CARBNBUYUAXXJL-SANMLTNESA-N 1 0 490.693 3.093 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC1CC[NH+](CC)CC1 ZINC001305759323 1069221102 /nfs/dbraw/zinc/22/11/02/1069221102.db2.gz MLRUJTIUABSBKR-UHFFFAOYSA-N 1 0 496.704 3.342 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001305759454 1069221477 /nfs/dbraw/zinc/22/14/77/1069221477.db2.gz QEZZAOUISRFCMN-UHFFFAOYSA-N 1 0 479.670 3.030 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1CC[NH+]1CCCCC1 ZINC001305762884 1069224020 /nfs/dbraw/zinc/22/40/20/1069224020.db2.gz AEZCRHMAYYSZPG-UHFFFAOYSA-N 1 0 453.429 3.171 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001305763706 1069232707 /nfs/dbraw/zinc/23/27/07/1069232707.db2.gz GVWHCVPDYKYFHW-GHTZIAJQSA-N 1 0 488.608 3.028 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1CC[N@H+](CC)C1CC1 ZINC001305765214 1069235811 /nfs/dbraw/zinc/23/58/11/1069235811.db2.gz SKSPNQCMFGDBBU-UHFFFAOYSA-N 1 0 453.429 3.170 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305767859 1069239615 /nfs/dbraw/zinc/23/96/15/1069239615.db2.gz JAYUSTFCXLIOLF-UYAOXDASSA-N 1 0 486.665 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1ccccc1OC ZINC001305768364 1069241357 /nfs/dbraw/zinc/24/13/57/1069241357.db2.gz AMRDNJUTIBBZMN-OAQYLSRUSA-N 1 0 454.619 3.318 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1cccc(OC)c1 ZINC001305769012 1069243211 /nfs/dbraw/zinc/24/32/11/1069243211.db2.gz FBJLXLWKOHEXKH-NRFANRHFSA-N 1 0 454.619 3.318 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H](C)[NH+](C)C ZINC001305770570 1069246983 /nfs/dbraw/zinc/24/69/83/1069246983.db2.gz LXZLAGNDXZSKPD-NVXWUHKLSA-N 1 0 484.571 3.203 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1Cc1cnn(C)c1 ZINC001305771041 1069247066 /nfs/dbraw/zinc/24/70/66/1069247066.db2.gz WYBCGIKOZSRPNM-FQEVSTJZSA-N 1 0 470.666 3.071 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001305771948 1069249405 /nfs/dbraw/zinc/24/94/05/1069249405.db2.gz NNXLHYGVTNVXLS-LJQANCHMSA-N 1 0 493.697 3.278 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1CC[NH+]1CCCCC1 ZINC001305773796 1069254063 /nfs/dbraw/zinc/25/40/63/1069254063.db2.gz XXMUIQUPHDKGTP-QFIPXVFZSA-N 1 0 470.666 3.337 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305774329 1069255211 /nfs/dbraw/zinc/25/52/11/1069255211.db2.gz FIUCWLUOYGFTNR-ZWKOTPCHSA-N 1 0 485.662 3.031 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1noc2c1CCCC2 ZINC001305774812 1069256151 /nfs/dbraw/zinc/25/61/51/1069256151.db2.gz YPZGURQCLXOSTB-UHFFFAOYSA-N 1 0 471.650 3.422 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305775462 1069257552 /nfs/dbraw/zinc/25/75/52/1069257552.db2.gz MRWJLCPFGFWZMZ-RTWAWAEBSA-N 1 0 456.639 3.146 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1Cc1ccc(F)cn1 ZINC001305776664 1069260935 /nfs/dbraw/zinc/26/09/35/1069260935.db2.gz PQSBUVMNXICWDP-UHFFFAOYSA-N 1 0 479.604 3.491 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001305777170 1069261708 /nfs/dbraw/zinc/26/17/08/1069261708.db2.gz UUCBAJGMZIDCQF-QHCPKHFHSA-N 1 0 466.630 3.254 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001305777203 1069262164 /nfs/dbraw/zinc/26/21/64/1069262164.db2.gz WAQXOADGGPCVKX-HHHXNRCGSA-N 1 0 494.640 3.410 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1Cc2ccccc2O1 ZINC001305777387 1069262667 /nfs/dbraw/zinc/26/26/67/1069262667.db2.gz YJQPPNDMJIGWIT-NRFANRHFSA-N 1 0 454.619 3.121 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001305777531 1069263056 /nfs/dbraw/zinc/26/30/56/1069263056.db2.gz KQPCAQYPBIXVCQ-VWPQPMDRSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CC[N@H+]1CC=CCC1 ZINC001305777671 1069263614 /nfs/dbraw/zinc/26/36/14/1069263614.db2.gz OGQKQCPRIMANAX-QHCPKHFHSA-N 1 0 466.630 3.426 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1(C)CCO[C@@H]1C1CC1 ZINC001305779071 1069268115 /nfs/dbraw/zinc/26/81/15/1069268115.db2.gz KDMUZVGMEGRQFA-NLFFAJNJSA-N 1 0 460.667 3.322 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1CCc1nc2c(s1)CCCC2 ZINC001305780492 1069271119 /nfs/dbraw/zinc/27/11/19/1069271119.db2.gz SDGBEDDBQVWLQC-UHFFFAOYSA-N 1 0 473.691 3.305 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305782393 1069274452 /nfs/dbraw/zinc/27/44/52/1069274452.db2.gz AJPWXGPAOZBEGF-OAQYLSRUSA-N 1 0 483.661 3.103 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305782391 1069274458 /nfs/dbraw/zinc/27/44/58/1069274458.db2.gz AJPWXGPAOZBEGF-NRFANRHFSA-N 1 0 483.661 3.103 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC1(COC)CCC1 ZINC001305785017 1069283384 /nfs/dbraw/zinc/28/33/84/1069283384.db2.gz DZIOKGSZEDGNOT-LJQANCHMSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCN(C)CC(F)(F)F ZINC001305785100 1069283802 /nfs/dbraw/zinc/28/38/02/1069283802.db2.gz HOWSDQNKUUCEKD-KRWDZBQOSA-N 1 0 487.615 3.001 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCN(C)CC(F)(F)F ZINC001305785101 1069283929 /nfs/dbraw/zinc/28/39/29/1069283929.db2.gz HOWSDQNKUUCEKD-QGZVFWFLSA-N 1 0 487.615 3.001 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCc1cccc(F)c1F ZINC001305785396 1069285621 /nfs/dbraw/zinc/28/56/21/1069285621.db2.gz FTLOFVMPDVVVNG-UHFFFAOYSA-N 1 0 462.589 3.495 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCNC(=O)OC(C)(C)C ZINC001305785636 1069286305 /nfs/dbraw/zinc/28/63/05/1069286305.db2.gz NTQJTCFSGOYTSU-SFHVURJKSA-N 1 0 491.681 3.032 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001305785740 1069287149 /nfs/dbraw/zinc/28/71/49/1069287149.db2.gz KIHFTBNKEWHDFY-GOSISDBHSA-N 1 0 491.681 3.126 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](C)c1c(C)noc1C ZINC001305785830 1069288297 /nfs/dbraw/zinc/28/82/97/1069288297.db2.gz MNNSZAIUNTZHAN-KRWDZBQOSA-N 1 0 459.639 3.383 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1Cc1ccc(OC)cc1F ZINC001305785942 1069288492 /nfs/dbraw/zinc/28/84/92/1069288492.db2.gz RPGKYQRDPXCVNG-UHFFFAOYSA-N 1 0 458.582 3.067 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1Cc1c(C)oc2ccccc21 ZINC001305786198 1069289516 /nfs/dbraw/zinc/28/95/16/1069289516.db2.gz CGFQCIMKSJYXMN-SFHVURJKSA-N 1 0 482.629 3.456 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305786419 1069290125 /nfs/dbraw/zinc/29/01/25/1069290125.db2.gz TWNOQJXTJRCWJD-OAHLLOKOSA-N 1 0 467.540 3.189 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCCn1cnc2ccccc21 ZINC001305786744 1069291179 /nfs/dbraw/zinc/29/11/79/1069291179.db2.gz YAZWAPUFTCTQAJ-IBGZPJMESA-N 1 0 466.634 3.167 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCCn1cnc2ccccc21 ZINC001305786745 1069291250 /nfs/dbraw/zinc/29/12/50/1069291250.db2.gz YAZWAPUFTCTQAJ-LJQANCHMSA-N 1 0 466.634 3.167 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccsc1 ZINC001305786629 1069291339 /nfs/dbraw/zinc/29/13/39/1069291339.db2.gz WFESYEFVBPSHKT-GOSISDBHSA-N 1 0 474.675 3.190 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305786985 1069292363 /nfs/dbraw/zinc/29/23/63/1069292363.db2.gz ZXRFUXXVOBDZHO-MJGOQNOKSA-N 1 0 487.615 3.144 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1Cc1ccccc1F ZINC001305786931 1069292563 /nfs/dbraw/zinc/29/25/63/1069292563.db2.gz IQDIEMYSQUSNOO-SFTDATJTSA-N 1 0 499.679 3.379 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1c(C)nn(C)c1C ZINC001305787112 1069292989 /nfs/dbraw/zinc/29/29/89/1069292989.db2.gz GBIMXZGJVIMHGE-LJQANCHMSA-N 1 0 492.672 3.306 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1Cc1cccc(Cl)c1C ZINC001305787423 1069293599 /nfs/dbraw/zinc/29/35/99/1069293599.db2.gz PIECFGPSKTVKHR-KRWDZBQOSA-N 1 0 477.053 3.364 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1c(C)nn(C)c1C ZINC001305788613 1069297442 /nfs/dbraw/zinc/29/74/42/1069297442.db2.gz XMUYWEXZWFWAIN-UHFFFAOYSA-N 1 0 484.693 3.297 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001305788597 1069297633 /nfs/dbraw/zinc/29/76/33/1069297633.db2.gz YGRVCZGPVXLQNV-IFMALSPDSA-N 1 0 490.693 3.235 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@](C)(O)C1CCCCC1 ZINC001305788885 1069298250 /nfs/dbraw/zinc/29/82/50/1069298250.db2.gz MJPJRWPZHRYPMG-PXDATVDWSA-N 1 0 460.667 3.202 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001305788996 1069298609 /nfs/dbraw/zinc/29/86/09/1069298609.db2.gz YYUKYAOWBKSLLK-RTWAWAEBSA-N 1 0 468.646 3.159 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001305789031 1069298809 /nfs/dbraw/zinc/29/88/09/1069298809.db2.gz ZPHNLPIVAXMODB-VWLOTQADSA-N 1 0 460.667 3.060 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(CC)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305789272 1069299145 /nfs/dbraw/zinc/29/91/45/1069299145.db2.gz CUSKEYNVFUUQBX-VWLOTQADSA-N 1 0 478.682 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305789951 1069300962 /nfs/dbraw/zinc/30/09/62/1069300962.db2.gz GORCAJPNEBWDER-IAGOWNOFSA-N 1 0 474.572 3.084 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CC)C2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001305790787 1069302324 /nfs/dbraw/zinc/30/23/24/1069302324.db2.gz GKNMCDVDAQAGSZ-JOCHJYFZSA-N 1 0 469.634 3.123 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1c(F)cc(F)c(F)c1F ZINC001305790726 1069302469 /nfs/dbraw/zinc/30/24/69/1069302469.db2.gz WVGJLSRBPTZHKY-HNNXBMFYSA-N 1 0 482.526 3.476 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)C2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001305793126 1069307831 /nfs/dbraw/zinc/30/78/31/1069307831.db2.gz WSMCASAJPLDBCN-LJQANCHMSA-N 1 0 468.646 3.259 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305793315 1069308909 /nfs/dbraw/zinc/30/89/09/1069308909.db2.gz YLERGTLFOVDBQB-DYLHXGEVSA-N 1 0 492.709 3.337 20 0 JGADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCCCC23CC[NH2+]CC3)C1=O ZINC001164420513 718911266 /nfs/dbraw/zinc/91/12/66/718911266.db2.gz JXGOBIWNDSUOIW-QFIPXVFZSA-N 1 0 450.990 3.129 20 0 JGADRO F[C@@]1(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164422816 718915212 /nfs/dbraw/zinc/91/52/12/718915212.db2.gz BITVGIWQARGAQL-XZOQPEGZSA-N 1 0 496.414 3.002 20 0 JGADRO O=C(c1cccnc1N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164423737 718944254 /nfs/dbraw/zinc/94/42/54/718944254.db2.gz KBVHZPPVOMWBBT-UIOOFZCWSA-N 1 0 453.590 3.115 20 0 JGADRO c1ccc2c(c1)C[NH2+][C@H]1CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164423132 718945017 /nfs/dbraw/zinc/94/50/17/718945017.db2.gz FHGGVAHESQPCAN-SFTDATJTSA-N 1 0 461.635 3.478 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164616107 719008161 /nfs/dbraw/zinc/00/81/61/719008161.db2.gz KLEHCVPCXXUMSV-HRAATJIYSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001164620355 719008416 /nfs/dbraw/zinc/00/84/16/719008416.db2.gz YNRBQYPTXDHVFR-CUBQBAPOSA-N 1 0 475.637 3.184 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164616634 719010537 /nfs/dbraw/zinc/01/05/37/719010537.db2.gz LFJKUINDKYAUFY-IERDGZPVSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1[C@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164614462 719015279 /nfs/dbraw/zinc/01/52/79/719015279.db2.gz FLHNGFSOXYBHPA-LCRZVWJLSA-N 1 0 494.398 3.147 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1[C@@]1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164614466 719015465 /nfs/dbraw/zinc/01/54/65/719015465.db2.gz FLHNGFSOXYBHPA-SYKKWBAMSA-N 1 0 494.398 3.147 20 0 JGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164617097 719017480 /nfs/dbraw/zinc/01/74/80/719017480.db2.gz MBPQRPJTZRENMY-YTQUADARSA-N 1 0 469.655 3.286 20 0 JGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc(OC)c2)nnc1Cl ZINC001164615660 719019530 /nfs/dbraw/zinc/01/95/30/719019530.db2.gz JMPSNNRYXDQDRK-KKXDTOCCSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccccc2OC)nnc1Cl ZINC001164619254 719019662 /nfs/dbraw/zinc/01/96/62/719019662.db2.gz UWZUWDOFEYTDFO-AFAVFJNCSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)CC2)CC1 ZINC001164617350 719030084 /nfs/dbraw/zinc/03/00/84/719030084.db2.gz KERDHKWTRWBPPF-UHFFFAOYSA-N 1 0 453.921 3.467 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(C(=O)NCC(C)C)ccc43)CC2)CC1 ZINC001164617437 719030219 /nfs/dbraw/zinc/03/02/19/719030219.db2.gz LZIKULLKFYHTBA-UHFFFAOYSA-N 1 0 467.614 3.260 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(=O)OC)ccc3NC(=O)C(C)(C)C)CC2)CC1 ZINC001164618428 719030291 /nfs/dbraw/zinc/03/02/91/719030291.db2.gz WTIAUJBLODENHT-UHFFFAOYSA-N 1 0 474.602 3.097 20 0 JGADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164618942 719085159 /nfs/dbraw/zinc/08/51/59/719085159.db2.gz BQOJVNCBIXWYRL-ROUUACIJSA-N 1 0 454.962 3.144 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cnoc3C)C2)nc1 ZINC001164649299 719320912 /nfs/dbraw/zinc/32/09/12/719320912.db2.gz BZLCGWLRYZNSQO-KZDDHRSZSA-N 1 0 453.587 3.339 20 0 JGADRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc43)C[C@H]21 ZINC001164674331 719428348 /nfs/dbraw/zinc/42/83/48/719428348.db2.gz WHCDYXKMNUYMSD-XLIONFOSSA-N 1 0 470.570 3.052 20 0 JGADRO CCOC(=O)c1sc2nc(Cc3ccccc3OC)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164670353 719443457 /nfs/dbraw/zinc/44/34/57/719443457.db2.gz NWSJXBCGZUJLCZ-HKUYNNGSSA-N 1 0 482.606 3.295 20 0 JGADRO O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1)N1CCCC1 ZINC001164679329 719547298 /nfs/dbraw/zinc/54/72/98/719547298.db2.gz XTPVDLCEXPQXDQ-NSISKUIASA-N 1 0 466.960 3.263 20 0 JGADRO O=C([C@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC12CCOCC2)N1CC=CC1 ZINC001164678584 719557286 /nfs/dbraw/zinc/55/72/86/719557286.db2.gz ZZNTUKGFOGTHAD-XMMPIXPASA-N 1 0 458.606 3.271 20 0 JGADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)c2c1CC[NH2+]C2 ZINC001164686179 719611068 /nfs/dbraw/zinc/61/10/68/719611068.db2.gz YYEXMXHRLVNORS-UHFFFAOYSA-N 1 0 466.033 3.360 20 0 JGADRO CCOC(=O)Cc1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679923 719660821 /nfs/dbraw/zinc/66/08/21/719660821.db2.gz AFYSUHHUDUFAJD-JOCHJYFZSA-N 1 0 478.637 3.281 20 0 JGADRO CC(C)OC(=O)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164681787 719661833 /nfs/dbraw/zinc/66/18/33/719661833.db2.gz QXBDNXREURCTMJ-FQEVSTJZSA-N 1 0 479.625 3.135 20 0 JGADRO COC(=O)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164684419 719665510 /nfs/dbraw/zinc/66/55/10/719665510.db2.gz TZMWVNMTLKRANW-HXUWFJFHSA-N 1 0 464.610 3.270 20 0 JGADRO COC(=O)c1cc(F)c(C)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686819 719669217 /nfs/dbraw/zinc/66/92/17/719669217.db2.gz XCJXVLKSOXHABT-LJQANCHMSA-N 1 0 482.600 3.409 20 0 JGADRO COCOc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164680391 719670417 /nfs/dbraw/zinc/67/04/17/719670417.db2.gz DNAOJOQAJCAZBK-HXUWFJFHSA-N 1 0 452.599 3.158 20 0 JGADRO CNC(=O)c1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1Cl ZINC001164686896 719672315 /nfs/dbraw/zinc/67/23/15/719672315.db2.gz YVJAWEKGPFKYSG-SFHVURJKSA-N 1 0 484.044 3.188 20 0 JGADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(OC)c1 ZINC001164684482 719673543 /nfs/dbraw/zinc/67/35/43/719673543.db2.gz UHWYYXIMJRZVNE-FQEVSTJZSA-N 1 0 494.636 3.360 20 0 JGADRO CC(=O)Nc1c(C)ccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680860 719675199 /nfs/dbraw/zinc/67/51/99/719675199.db2.gz IEPIUWYSJNIQOL-NRFANRHFSA-N 1 0 463.626 3.442 20 0 JGADRO CC(=O)Nc1c(C)ccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680861 719676158 /nfs/dbraw/zinc/67/61/58/719676158.db2.gz IEPIUWYSJNIQOL-OAQYLSRUSA-N 1 0 463.626 3.442 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(C(N)=O)cc4ccccc43)CC2)c2ccccc21 ZINC001164680070 719679411 /nfs/dbraw/zinc/67/94/11/719679411.db2.gz BFUUCYMAGQSPIZ-OAQYLSRUSA-N 1 0 485.632 3.427 20 0 JGADRO CCOC(=O)Cc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164687813 719682447 /nfs/dbraw/zinc/68/24/47/719682447.db2.gz VTEMAUTWRAIUMP-JOCHJYFZSA-N 1 0 478.637 3.281 20 0 JGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3cc(OCc4ccccc4)c(OC)cc31)CC2 ZINC001164681794 719704922 /nfs/dbraw/zinc/70/49/22/719704922.db2.gz AQCBBJFYFUOHQO-UHFFFAOYSA-N 1 0 475.593 3.398 20 0 JGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)CC2 ZINC001164686783 719719418 /nfs/dbraw/zinc/71/94/18/719719418.db2.gz SJJOGMYDNQOBQD-UHFFFAOYSA-N 1 0 459.953 3.307 20 0 JGADRO Fc1cccnc1N(c1ncnc2c1CN(Cc1ccccc1)CC2)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690667 719759008 /nfs/dbraw/zinc/75/90/08/719759008.db2.gz GVBZDICCGNWGFT-FQRUVTKNSA-N 1 0 460.557 3.228 20 0 JGADRO CCOC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1C(=O)OCC ZINC001164692597 719806661 /nfs/dbraw/zinc/80/66/61/719806661.db2.gz KOTVCTKAZPVMJL-UHFFFAOYSA-N 1 0 473.599 3.230 20 0 JGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(S(=O)(=O)N4CCCC4)ccn2)CC3)cs1 ZINC001164692228 719815027 /nfs/dbraw/zinc/81/50/27/719815027.db2.gz OUCVRVCSYKOEOP-UHFFFAOYSA-N 1 0 461.657 3.266 20 0 JGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c12 ZINC001164811439 720070748 /nfs/dbraw/zinc/07/07/48/720070748.db2.gz OJARQLHIJWIPHH-SIBVEZHUSA-N 1 0 463.582 3.244 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164812193 720073784 /nfs/dbraw/zinc/07/37/84/720073784.db2.gz PVCTZTFXPSNRAY-QRWLVFNGSA-N 1 0 458.937 3.036 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1Cl ZINC001164809298 720074238 /nfs/dbraw/zinc/07/42/38/720074238.db2.gz JGRBUYSZPNRJIB-QRWLVFNGSA-N 1 0 458.937 3.036 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164812191 720074776 /nfs/dbraw/zinc/07/47/76/720074776.db2.gz PVCTZTFXPSNRAY-MGPUTAFESA-N 1 0 458.937 3.036 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164710772 720095769 /nfs/dbraw/zinc/09/57/69/720095769.db2.gz MIOLZOGCQHGGTK-SFHVURJKSA-N 1 0 459.978 3.209 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)CC2 ZINC001164710272 720096595 /nfs/dbraw/zinc/09/65/95/720096595.db2.gz IDGQVVJUXLULPA-KRWDZBQOSA-N 1 0 479.959 3.281 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)C2 ZINC001164814956 720117741 /nfs/dbraw/zinc/11/77/41/720117741.db2.gz USNSBCZLXIUNKA-UQBPGWFLSA-N 1 0 455.603 3.163 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164719468 720123224 /nfs/dbraw/zinc/12/32/24/720123224.db2.gz XKEFXCIKRJBTCH-INIZCTEOSA-N 1 0 459.953 3.020 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3cnccc3cc1C(=O)OC)CC2 ZINC001164719081 720123615 /nfs/dbraw/zinc/12/36/15/720123615.db2.gz VLZCUJYEWQJHMO-OAQYLSRUSA-N 1 0 461.566 3.319 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3cc(C)sc3c(N3CCOCC3)n1)C2 ZINC001164814271 720135045 /nfs/dbraw/zinc/13/50/45/720135045.db2.gz RRQOVMOMTJYAKV-DVECYGJZSA-N 1 0 457.644 3.021 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(SCC(=O)OC)n1)CC2 ZINC001164710827 720135132 /nfs/dbraw/zinc/13/51/32/720135132.db2.gz DJMJBDKGUWZMJX-HXUWFJFHSA-N 1 0 456.612 3.249 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3cc(C)sc3c(N3CCOCC3)n1)C2 ZINC001164814251 720135722 /nfs/dbraw/zinc/13/57/22/720135722.db2.gz RRQOVMOMTJYAKV-CYFREDJKSA-N 1 0 457.644 3.021 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)COc1ccc(Cl)nn1)CC2 ZINC001164713533 720141280 /nfs/dbraw/zinc/14/12/80/720141280.db2.gz RLSPDGIIHOWLOU-GOSISDBHSA-N 1 0 467.948 3.500 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815022 720147735 /nfs/dbraw/zinc/14/77/35/720147735.db2.gz GVTFJWVBAGFRNI-BVZFJXPGSA-N 1 0 458.603 3.038 20 0 JGADRO CCOC(=O)c1cnc(CC)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164713964 720151472 /nfs/dbraw/zinc/15/14/72/720151472.db2.gz UMHPDMBGJFZBGC-HXUWFJFHSA-N 1 0 453.587 3.118 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164716332 720156014 /nfs/dbraw/zinc/15/60/14/720156014.db2.gz ZKOFNNUDZKSMTA-PMACEKPBSA-N 1 0 474.005 3.200 20 0 JGADRO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)cc2C1 ZINC001164715118 720157640 /nfs/dbraw/zinc/15/76/40/720157640.db2.gz STIFOAVDGUQDAA-NZQKXSOJSA-N 1 0 479.625 3.047 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164711903 720157864 /nfs/dbraw/zinc/15/78/64/720157864.db2.gz DJKDBOZVURPOTH-LJQANCHMSA-N 1 0 452.933 3.421 20 0 JGADRO Cn1nnc2c1CCN(c1nc3ccc(Cl)cc3nc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164716575 720176417 /nfs/dbraw/zinc/17/64/17/720176417.db2.gz HYXPHMAHOMDRKD-SFHVURJKSA-N 1 0 462.385 3.281 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001164815597 720178209 /nfs/dbraw/zinc/17/82/09/720178209.db2.gz IKYSIIYHIHIYCI-KKSFZXQISA-N 1 0 463.007 3.024 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c(Cl)cccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717011 720178943 /nfs/dbraw/zinc/17/89/43/720178943.db2.gz IZYLBJJSSNASPG-QGZVFWFLSA-N 1 0 462.385 3.281 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)C2 ZINC001164815971 720180692 /nfs/dbraw/zinc/18/06/92/720180692.db2.gz JEFFEAVDJUEBGK-QFQXNSOFSA-N 1 0 450.583 3.490 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)cc3c(Cl)ccnc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716553 720181185 /nfs/dbraw/zinc/18/11/85/720181185.db2.gz HFUQWJOBDDDAEP-QGZVFWFLSA-N 1 0 462.385 3.281 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)C2 ZINC001164815969 720181395 /nfs/dbraw/zinc/18/13/95/720181395.db2.gz JEFFEAVDJUEBGK-HFZDXXHNSA-N 1 0 450.583 3.490 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715951 720182181 /nfs/dbraw/zinc/18/21/81/720182181.db2.gz FHEHKTCWCJEEEX-OAHLLOKOSA-N 1 0 461.344 3.278 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)ncc1-c1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716569 720183445 /nfs/dbraw/zinc/18/34/45/720183445.db2.gz HUKPZKMFRDNACH-HXUWFJFHSA-N 1 0 453.978 3.142 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)ncc1-c1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716568 720183843 /nfs/dbraw/zinc/18/38/43/720183843.db2.gz HUKPZKMFRDNACH-FQEVSTJZSA-N 1 0 453.978 3.142 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001164817738 720188837 /nfs/dbraw/zinc/18/88/37/720188837.db2.gz QCQMEOOQVWJBQA-YIXXDRMTSA-N 1 0 463.626 3.165 20 0 JGADRO Cc1cccc(Sc2cncc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)n2)c1 ZINC001164714543 720192685 /nfs/dbraw/zinc/19/26/85/720192685.db2.gz GJDUWTBHQVUNTH-NRFANRHFSA-N 1 0 465.627 3.281 20 0 JGADRO CSc1cnc(Cl)c(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164718315 720193845 /nfs/dbraw/zinc/19/38/45/720193845.db2.gz ZITJTOJRXHCQNR-QGZVFWFLSA-N 1 0 472.993 3.347 20 0 JGADRO Cn1nnc2c1CCN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716655 720196037 /nfs/dbraw/zinc/19/60/37/720196037.db2.gz QYMUMWVXEQNVET-LJQANCHMSA-N 1 0 455.651 3.416 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cccc3c(Cl)ncnc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716617 720198928 /nfs/dbraw/zinc/19/89/28/720198928.db2.gz QCWRXZKOHFVJCS-SFHVURJKSA-N 1 0 477.947 3.173 20 0 JGADRO Cn1nnc2c1CCN(c1nnc(Cl)c3ccc(Cl)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164714529 720201667 /nfs/dbraw/zinc/20/16/67/720201667.db2.gz GGGJGARXCRCKMU-SFHVURJKSA-N 1 0 462.385 3.281 20 0 JGADRO Cn1nnc2c1CCN(c1nccc(SCc3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716669 720202773 /nfs/dbraw/zinc/20/27/73/720202773.db2.gz RFXMWXDIKMXCAL-OAQYLSRUSA-N 1 0 465.627 3.114 20 0 JGADRO Cn1nnc2c1CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717231 720207061 /nfs/dbraw/zinc/20/70/61/720207061.db2.gz GWZLROPFRFMNTQ-MRXNPFEDSA-N 1 0 475.808 3.043 20 0 JGADRO Cn1nnc2c1CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720089 720207342 /nfs/dbraw/zinc/20/73/42/720207342.db2.gz VUJOTVPXKANYRF-QGZVFWFLSA-N 1 0 495.459 3.118 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CCC2 ZINC001164814114 720226687 /nfs/dbraw/zinc/22/66/87/720226687.db2.gz UQFCKGWSNNDGDU-UHFFFAOYSA-N 1 0 461.994 3.498 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)OCc3ccccc3)cn1)CCC2 ZINC001164814551 720240235 /nfs/dbraw/zinc/24/02/35/720240235.db2.gz YCMBZKOGICEUIW-UHFFFAOYSA-N 1 0 461.566 3.246 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C(=O)N3CCCCC3)cc(Cl)n2)CC1 ZINC001164828239 720302573 /nfs/dbraw/zinc/30/25/73/720302573.db2.gz ZFNBEDYYEUZZPM-SFTDATJTSA-N 1 0 474.049 3.273 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2ncn3Cc2ccccc2)CC1 ZINC001164823195 720307174 /nfs/dbraw/zinc/30/71/74/720307174.db2.gz PJKBKRASUYHQSQ-LEWJYISDSA-N 1 0 494.043 3.440 20 0 JGADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823155 720315379 /nfs/dbraw/zinc/31/53/79/720315379.db2.gz OWXVJAFZIHUCLP-WOJBJXKFSA-N 1 0 486.016 3.371 20 0 JGADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164823151 720315655 /nfs/dbraw/zinc/31/56/55/720315655.db2.gz OWXVJAFZIHUCLP-UXHICEINSA-N 1 0 486.016 3.371 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2ccn3Cc2ccccc2)CC1 ZINC001164833002 720323205 /nfs/dbraw/zinc/32/32/05/720323205.db2.gz VJOFXZVGUULTRT-DNQXCXABSA-N 1 0 458.610 3.391 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2ccn3Cc2ccccc2)CC1 ZINC001164833001 720323326 /nfs/dbraw/zinc/32/33/26/720323326.db2.gz VJOFXZVGUULTRT-BJKOFHAPSA-N 1 0 458.610 3.391 20 0 JGADRO COc1cccc(Oc2cncc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)c1 ZINC001164832978 720329648 /nfs/dbraw/zinc/32/96/48/720329648.db2.gz VEIMWAMKHKPLFH-VXKWHMMOSA-N 1 0 451.571 3.189 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC1 ZINC001164830875 720333556 /nfs/dbraw/zinc/33/35/56/720333556.db2.gz QGHQZVDKALRIGF-CABCVRRESA-N 1 0 462.372 3.326 20 0 JGADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164822191 720337222 /nfs/dbraw/zinc/33/72/22/720337222.db2.gz CDFOIMCYFNLWGI-OALUTQOASA-N 1 0 485.654 3.396 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC001164822836 720337675 /nfs/dbraw/zinc/33/76/75/720337675.db2.gz FSAHDPJDRGOJOZ-LOSJGSFVSA-N 1 0 473.621 3.196 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC001164822837 720337946 /nfs/dbraw/zinc/33/79/46/720337946.db2.gz FSAHDPJDRGOJOZ-RPBOFIJWSA-N 1 0 473.621 3.196 20 0 JGADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164822195 720338032 /nfs/dbraw/zinc/33/80/32/720338032.db2.gz CDFOIMCYFNLWGI-RTBURBONSA-N 1 0 485.654 3.396 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2c3c(nnc2Cl)CCC3)CC1 ZINC001164825768 720340899 /nfs/dbraw/zinc/34/08/99/720340899.db2.gz JSHUUVNHTMAKEP-MSOLQXFVSA-N 1 0 453.965 3.075 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC001164825729 720343074 /nfs/dbraw/zinc/34/30/74/720343074.db2.gz JMPWWPWYWHPVTC-JKSUJKDBSA-N 1 0 452.937 3.068 20 0 JGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2N1C1CCCC1 ZINC001164724283 720382550 /nfs/dbraw/zinc/38/25/50/720382550.db2.gz IYVPLWSURUDBRC-FSSWDIPSSA-N 1 0 461.614 3.229 20 0 JGADRO O=C(c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731373 720406557 /nfs/dbraw/zinc/40/65/57/720406557.db2.gz ZHJGQGFYUHLLLA-SXOMAYOGSA-N 1 0 482.632 3.288 20 0 JGADRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nccc(NC(=O)C(C)(C)C)c3C[N@@H+]3CC[C@H](CO)C3)O2)n1 ZINC001164830444 720406695 /nfs/dbraw/zinc/40/66/95/720406695.db2.gz QURQEFZJMKHYAP-UPZYVNNASA-N 1 0 498.628 3.071 20 0 JGADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164731495 720439843 /nfs/dbraw/zinc/43/98/43/720439843.db2.gz KYEOGKZQKODANC-LEWJYISDSA-N 1 0 464.639 3.389 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834299 720517649 /nfs/dbraw/zinc/51/76/49/720517649.db2.gz FGSQFVDLVSQVPO-IRFCIJBXSA-N 1 0 467.643 3.102 20 0 JGADRO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2s1 ZINC001164839546 720572889 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CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001165011896 721738986 /nfs/dbraw/zinc/73/89/86/721738986.db2.gz WHPFPPPAYIAHGB-UHFFFAOYSA-N 1 0 450.562 3.142 20 0 JGADRO C[NH+]1CCN(c2cccc(N3C[C@H](c4ccccc4)[C@]4(CCN(c5cccnc5)C4=O)C3)n2)CC1 ZINC001164911777 721741575 /nfs/dbraw/zinc/74/15/75/721741575.db2.gz KHWBTZCQXZIFQJ-YWEHKCAJSA-N 1 0 468.605 3.256 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1 ZINC001165019400 721778326 /nfs/dbraw/zinc/77/83/26/721778326.db2.gz KYNUITCLMYPRFU-JQYIIUTOSA-N 1 0 456.631 3.253 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1 ZINC001165019403 721778363 /nfs/dbraw/zinc/77/83/63/721778363.db2.gz KYNUITCLMYPRFU-UMFSSWHCSA-N 1 0 456.631 3.253 20 0 JGADRO O=C1N(c2cncnc2)CC[C@@]12CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001165023688 721784149 /nfs/dbraw/zinc/78/41/49/721784149.db2.gz TWWJSBGUFJYORF-HHHXNRCGSA-N 1 0 454.578 3.453 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@@H]3C2)nc1 ZINC001165027247 721797022 /nfs/dbraw/zinc/79/70/22/721797022.db2.gz UVRTXDXZEOLVLZ-WXFUMESZSA-N 1 0 450.583 3.253 20 0 JGADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165018773 721816652 /nfs/dbraw/zinc/81/66/52/721816652.db2.gz AAFHBZRDXVJIKE-YTQUADARSA-N 1 0 484.004 3.175 20 0 JGADRO COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(N2CCCCCC2)n1 ZINC001165020790 721823164 /nfs/dbraw/zinc/82/31/64/721823164.db2.gz DUFVIYRRWGMEOU-KSEOMHKRSA-N 1 0 451.619 3.393 20 0 JGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)C1 ZINC001165025158 721824217 /nfs/dbraw/zinc/82/42/17/721824217.db2.gz MCAWUFDSIKXTCT-SCDRESIJSA-N 1 0 478.641 3.388 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C[C@H]21 ZINC001165018857 721825585 /nfs/dbraw/zinc/82/55/85/721825585.db2.gz AKRWKEMWZWDERB-CEMLEFRQSA-N 1 0 462.598 3.044 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCCC3)C[C@@H]21 ZINC001165029567 721827138 /nfs/dbraw/zinc/82/71/38/721827138.db2.gz XFQPYWPUZKMGQC-ACIOBRDBSA-N 1 0 469.655 3.388 20 0 JGADRO CCOC(=O)N1CCc2nnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)cc2C1 ZINC001165022742 721843813 /nfs/dbraw/zinc/84/38/13/721843813.db2.gz TWMKYGZJIMUSTO-UHFFFAOYSA-N 1 0 469.586 3.109 20 0 JGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001164928993 721849485 /nfs/dbraw/zinc/84/94/85/721849485.db2.gz PJBUFOPYLIXYJL-MOPGFXCFSA-N 1 0 479.959 3.247 20 0 JGADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001164928995 721849564 /nfs/dbraw/zinc/84/95/64/721849564.db2.gz PJBUFOPYLIXYJL-RBUKOAKNSA-N 1 0 479.959 3.247 20 0 JGADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164933918 721879964 /nfs/dbraw/zinc/87/99/64/721879964.db2.gz OSTFUGBGNZBYRB-UXHICEINSA-N 1 0 454.688 3.381 20 0 JGADRO 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CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164956230 722022502 /nfs/dbraw/zinc/02/25/02/722022502.db2.gz ZKURMOPGRFIVHD-HXUWFJFHSA-N 1 0 457.644 3.436 20 0 JGADRO CCOC(=O)c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1C(=O)OCC ZINC001164961418 722025022 /nfs/dbraw/zinc/02/50/22/722025022.db2.gz NTNYQAOQFKFIAT-UHFFFAOYSA-N 1 0 452.555 3.323 20 0 JGADRO FC(F)(COc1ccc(Cl)nn1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959997 722059712 /nfs/dbraw/zinc/05/97/12/722059712.db2.gz CBXSMCGPSFVHMU-UHFFFAOYSA-N 1 0 453.921 3.111 20 0 JGADRO C(c1nc2sc3c(c2c(N2C[C@@H]4C[N@H+](CC5CC5)C[C@H](C2)O4)n1)CCC3)N1CCCCC1 ZINC001164967752 722075378 /nfs/dbraw/zinc/07/53/78/722075378.db2.gz UYSGLDFWEVTVBH-KDURUIRLSA-N 1 0 453.656 3.465 20 0 JGADRO C(c1nc2sc3c(c2c(N2C[C@@H]4C[N@H+](CC5CC5)C[C@H](C2)O4)n1)CCCC3)N1CCCC1 ZINC001164966564 722075676 /nfs/dbraw/zinc/07/56/76/722075676.db2.gz BJVFWXMPWVBQII-KDURUIRLSA-N 1 0 453.656 3.465 20 0 JGADRO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21 ZINC001164970193 722081298 /nfs/dbraw/zinc/08/12/98/722081298.db2.gz OELSLCRXZOXGIO-VCOUNFBDSA-N 1 0 490.986 3.369 20 0 JGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981647 722100114 /nfs/dbraw/zinc/10/01/14/722100114.db2.gz LUSSAUHRWQWPBW-UNMCSNQZSA-N 1 0 486.576 3.182 20 0 JGADRO COc1cc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164974909 722110027 /nfs/dbraw/zinc/11/00/27/722110027.db2.gz IVLYOWXKKPPIKS-HTAPYJJXSA-N 1 0 469.973 3.423 20 0 JGADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983156 722113306 /nfs/dbraw/zinc/11/33/06/722113306.db2.gz YKAQGVYVQJBOAW-WMZOPIPTSA-N 1 0 466.916 3.189 20 0 JGADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978389 722119130 /nfs/dbraw/zinc/11/91/30/722119130.db2.gz ONIZIOFMVHXTIR-NQIIRXRSSA-N 1 0 467.957 3.192 20 0 JGADRO CCOC(=O)c1cc2c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164980407 722127269 /nfs/dbraw/zinc/12/72/69/722127269.db2.gz QZDAANSHFXQZNL-REWPJTCUSA-N 1 0 463.582 3.479 20 0 JGADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2[nH]cnc21 ZINC001164978044 722137825 /nfs/dbraw/zinc/13/78/25/722137825.db2.gz JIKWZGMPMILFLL-QUCCMNQESA-N 1 0 479.585 3.427 20 0 JGADRO COC(=O)C[C@H](c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1)C1CC1 ZINC001164976993 722137929 /nfs/dbraw/zinc/13/79/29/722137929.db2.gz HMTABNCLNUXICZ-KMDXXIMOSA-N 1 0 450.583 3.261 20 0 JGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164980319 722142289 /nfs/dbraw/zinc/14/22/89/722142289.db2.gz MTBJYWWUORWHFM-PXDATVDWSA-N 1 0 459.550 3.037 20 0 JGADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983818 722146223 /nfs/dbraw/zinc/14/62/23/722146223.db2.gz VJPXHQKCMRKGSP-WWMYMODYSA-N 1 0 471.911 3.058 20 0 JGADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975176 722150905 /nfs/dbraw/zinc/15/09/05/722150905.db2.gz FHRDLSJOWVMAHQ-MSOLQXFVSA-N 1 0 476.915 3.452 20 0 JGADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974692 722156986 /nfs/dbraw/zinc/15/69/86/722156986.db2.gz OWXSLYFIWDPABK-MJGOQNOKSA-N 1 0 481.931 3.494 20 0 JGADRO CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)[nH+]cc21 ZINC001164985052 722184812 /nfs/dbraw/zinc/18/48/12/722184812.db2.gz AMLINVLIYLBROX-NHCUHLMSSA-N 1 0 455.584 3.374 20 0 JGADRO CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)[nH+]cc21 ZINC001164985055 722184815 /nfs/dbraw/zinc/18/48/15/722184815.db2.gz AMLINVLIYLBROX-SFTDATJTSA-N 1 0 455.584 3.374 20 0 JGADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[C@H]32)cs1 ZINC001164988560 722186589 /nfs/dbraw/zinc/18/65/89/722186589.db2.gz MUPXPQMJYDPIRP-DHIUTWEWSA-N 1 0 457.644 3.095 20 0 JGADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994806 722203395 /nfs/dbraw/zinc/20/33/95/722203395.db2.gz IHSUYBGSJNNOOS-QHCPKHFHSA-N 1 0 472.952 3.427 20 0 JGADRO COCCO[C@H]1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]1Cc1cnn(C)c1 ZINC001164997433 722222948 /nfs/dbraw/zinc/22/29/48/722222948.db2.gz DPAIJLPBHLHSGJ-FTJBHMTQSA-N 1 0 461.610 3.226 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165003125 722241869 /nfs/dbraw/zinc/24/18/69/722241869.db2.gz IIEUEXJZVSCYQB-NFBKMPQASA-N 1 0 474.613 3.072 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CCC2 ZINC001165000940 722251830 /nfs/dbraw/zinc/25/18/30/722251830.db2.gz WYZBGJIKERVHPN-UHFFFAOYSA-N 1 0 471.780 3.065 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)CCC2 ZINC001165000068 722252201 /nfs/dbraw/zinc/25/22/01/722252201.db2.gz KNGOSFYHDXTNFI-UHFFFAOYSA-N 1 0 481.004 3.213 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)CCC2 ZINC001165004089 722255890 /nfs/dbraw/zinc/25/58/90/722255890.db2.gz MVSDIJULNNYXKZ-UHFFFAOYSA-N 1 0 477.947 3.422 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)CCC2 ZINC001165003846 722257859 /nfs/dbraw/zinc/25/78/59/722257859.db2.gz JLIPVHPLHFFKSI-UHFFFAOYSA-N 1 0 472.924 3.057 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C[C@@H](C)[NH+](C)C ZINC001305795077 1069313644 /nfs/dbraw/zinc/31/36/44/1069313644.db2.gz NOBDTFAMYWSTEH-QRWLVFNGSA-N 1 0 464.561 3.003 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305795540 1069314705 /nfs/dbraw/zinc/31/47/05/1069314705.db2.gz QBOBXUUHRDTVOG-FCEUIQTBSA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305795503 1069314760 /nfs/dbraw/zinc/31/47/60/1069314760.db2.gz PSTKBRFQPISGEH-NRFANRHFSA-N 1 0 472.634 3.489 20 0 JGADRO 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CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C)[NH+]1CCCC1 ZINC001305804795 1069330584 /nfs/dbraw/zinc/33/05/84/1069330584.db2.gz IYSIATAHOQUSFC-SEIRJHJZSA-N 1 0 474.675 3.145 20 0 JGADRO CC[C@H](Cn1c(C(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001305806555 1069334635 /nfs/dbraw/zinc/33/46/35/1069334635.db2.gz OBSLGQUQYLVABX-GOSISDBHSA-N 1 0 450.628 3.006 20 0 JGADRO CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1)[NH+]1CCCC1 ZINC001305808071 1069336791 /nfs/dbraw/zinc/33/67/91/1069336791.db2.gz SZJZGUPRECXZPK-QFIPXVFZSA-N 1 0 473.710 3.189 20 0 JGADRO CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1)[NH+]1CCCC1 ZINC001305808226 1069337074 /nfs/dbraw/zinc/33/70/74/1069337074.db2.gz UGJLMEXZKOITTF-HSZRJFAPSA-N 1 0 452.647 3.476 20 0 JGADRO CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1)[NH+]1CCCC1 ZINC001305808228 1069337349 /nfs/dbraw/zinc/33/73/49/1069337349.db2.gz UGJLMEXZKOITTF-QHCPKHFHSA-N 1 0 452.647 3.476 20 0 JGADRO CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001305808172 1069337366 /nfs/dbraw/zinc/33/73/66/1069337366.db2.gz JFYSTTGWZWGPLC-PMACEKPBSA-N 1 0 476.691 3.393 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCCC1 ZINC001305808997 1069338574 /nfs/dbraw/zinc/33/85/74/1069338574.db2.gz LNMKDLMSIXLBRG-GUDVDZBRSA-N 1 0 458.582 3.099 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCCC1 ZINC001305810813 1069340870 /nfs/dbraw/zinc/34/08/70/1069340870.db2.gz OFXXFONBMUBUPI-GAJHUEQPSA-N 1 0 462.545 3.123 20 0 JGADRO CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](COC)C1)[NH+]1CCCC1 ZINC001305809153 1069339237 /nfs/dbraw/zinc/33/92/37/1069339237.db2.gz MIBKEOQQHXOXGZ-DWLFOUALSA-N 1 0 461.582 3.283 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001305812967 1069343168 /nfs/dbraw/zinc/34/31/68/1069343168.db2.gz WOKFCAXBTCHNLL-RDJZCZTQSA-N 1 0 451.413 3.383 20 0 JGADRO 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CC[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001305829484 1069370585 /nfs/dbraw/zinc/37/05/85/1069370585.db2.gz AEIGXIGDQSHFML-ZWKOTPCHSA-N 1 0 456.557 3.315 20 0 JGADRO CC[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001305829483 1069370632 /nfs/dbraw/zinc/37/06/32/1069370632.db2.gz AEIGXIGDQSHFML-ROUUACIJSA-N 1 0 456.557 3.315 20 0 JGADRO CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305831833 1069372690 /nfs/dbraw/zinc/37/26/90/1069372690.db2.gz WLVIAHANBVEQAV-FPOVZHCZSA-N 1 0 476.666 3.398 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305831895 1069372841 /nfs/dbraw/zinc/37/28/41/1069372841.db2.gz GMSPQKOGJUAOSA-FCGDIQPGSA-N 1 0 450.628 3.004 20 0 JGADRO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001305836446 1069378659 /nfs/dbraw/zinc/37/86/59/1069378659.db2.gz JQNGNGKZQBYRIF-YADHBBJMSA-N 1 0 477.650 3.286 20 0 JGADRO 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CN(CCS(C)(=O)=O)c1nnc(Cc2ccsc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001298782774 1064587398 /nfs/dbraw/zinc/58/73/98/1064587398.db2.gz XZJTVEVKAWMJHN-UHFFFAOYSA-N 1 0 493.724 3.385 20 0 JGADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C1CC1 ZINC001298802135 1064601468 /nfs/dbraw/zinc/60/14/68/1064601468.db2.gz WWEAHAVAPSMERF-UHFFFAOYSA-N 1 0 491.356 3.472 20 0 JGADRO Cn1cc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCCCNC(=O)OC(C)(C)C)cn1 ZINC001298811654 1064614033 /nfs/dbraw/zinc/61/40/33/1064614033.db2.gz VGPFBEJLIWOLCT-FQEVSTJZSA-N 1 0 472.638 3.048 20 0 JGADRO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(F)cc1 ZINC001298814620 1064616680 /nfs/dbraw/zinc/61/66/80/1064616680.db2.gz WJOLYKCAVUHDLE-LJQANCHMSA-N 1 0 453.605 3.023 20 0 JGADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)cc2)CC1 ZINC001298815679 1064617633 /nfs/dbraw/zinc/61/76/33/1064617633.db2.gz IBKYFDGKBYWSPP-SANMLTNESA-N 1 0 456.631 3.297 20 0 JGADRO Cn1cc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCSCC(F)(F)F)cn1 ZINC001298817480 1064618878 /nfs/dbraw/zinc/61/88/78/1064618878.db2.gz DOEOJNTUNIUBRM-UHFFFAOYSA-N 1 0 457.570 3.429 20 0 JGADRO Cn1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2cccc(Br)n2)cn1 ZINC001298818952 1064620989 /nfs/dbraw/zinc/62/09/89/1064620989.db2.gz ZDLNRMUJHPNAPC-UHFFFAOYSA-N 1 0 487.450 3.443 20 0 JGADRO Cn1cc(-c2nnc(N3CC[NH+](CCc4ccccc4)CC3)n2CCSC(F)(F)F)cn1 ZINC001298819677 1064622416 /nfs/dbraw/zinc/62/24/16/1064622416.db2.gz ZNRDPOQGFHLWQS-UHFFFAOYSA-N 1 0 465.549 3.296 20 0 JGADRO Cn1cc(C2CCN(c3nnc(CC(C)(C)C)n3CCCC[N@@H+]3CCC[C@H]3CO)CC2)cn1 ZINC001298824343 1064625196 /nfs/dbraw/zinc/62/51/96/1064625196.db2.gz LILWVKACCKGDSU-QFIPXVFZSA-N 1 0 457.667 3.221 20 0 JGADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(-c4ccccc4)n3CCCOCC(F)F)CC2)cn1 ZINC001298828795 1064633944 /nfs/dbraw/zinc/63/39/44/1064633944.db2.gz XBEAUDKGFVKWTD-UHFFFAOYSA-N 1 0 459.545 3.063 20 0 JGADRO Cn1cccc1-c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCCC1 ZINC001298852755 1064654693 /nfs/dbraw/zinc/65/46/93/1064654693.db2.gz PFJIFNOUEHUDOM-UHFFFAOYSA-N 1 0 457.623 3.263 20 0 JGADRO Cn1cccc1-c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001298857810 1064660482 /nfs/dbraw/zinc/66/04/82/1064660482.db2.gz GZUJXVFXQZLWMP-UHFFFAOYSA-N 1 0 469.634 3.287 20 0 JGADRO Cn1cnc(Cn2c(-c3ccccc3Br)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001298866507 1064670999 /nfs/dbraw/zinc/67/09/99/1064670999.db2.gz PNAARCNXCAPAMT-UHFFFAOYSA-N 1 0 487.450 3.443 20 0 JGADRO CN(c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC001298877546 1064682453 /nfs/dbraw/zinc/68/24/53/1064682453.db2.gz GXOGYFVQNIWNSK-LJQANCHMSA-N 1 0 454.800 3.416 20 0 JGADRO CN(Cc1ccc(F)c(F)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298878111 1064683098 /nfs/dbraw/zinc/68/30/98/1064683098.db2.gz JLNNBSUQQSFNQE-HXUWFJFHSA-N 1 0 481.345 3.017 20 0 JGADRO CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298881198 1064687443 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1064698924 /nfs/dbraw/zinc/69/89/24/1064698924.db2.gz PQCMMUMBSUMMHU-QDSKXPNFSA-N 1 0 457.640 3.467 20 0 JGADRO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCSC1 ZINC001298889970 1064699271 /nfs/dbraw/zinc/69/92/71/1064699271.db2.gz XNZLWVDWXZEEEA-WMZOPIPTSA-N 1 0 462.689 3.332 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C ZINC001298890019 1064699365 /nfs/dbraw/zinc/69/93/65/1064699365.db2.gz YSMBHJSTDJHSAY-HOTGVXAUSA-N 1 0 458.573 3.201 20 0 JGADRO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCSC1 ZINC001298889969 1064699411 /nfs/dbraw/zinc/69/94/11/1064699411.db2.gz XNZLWVDWXZEEEA-SJLPKXTDSA-N 1 0 462.689 3.332 20 0 JGADRO C[C@@H]1[C@@H](NC(=O)COc2ccc(I)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001298890768 1064700531 /nfs/dbraw/zinc/70/05/31/1064700531.db2.gz YNKCOBSNGXSURN-BEFAXECRSA-N 1 0 450.320 3.449 20 0 JGADRO CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCCCC2)CC1=O ZINC001298890818 1064700924 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CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccsc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001299028198 1064812281 /nfs/dbraw/zinc/81/22/81/1064812281.db2.gz LYQLAQXFAPCEMS-DEOSSOPVSA-N 1 0 470.618 3.164 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001299028336 1064812337 /nfs/dbraw/zinc/81/23/37/1064812337.db2.gz KJLAJXJSBUDBGA-BCHFMIIMSA-N 1 0 470.637 3.481 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001299029021 1064814592 /nfs/dbraw/zinc/81/45/92/1064814592.db2.gz QTWZKYSKYYTCDI-JIPXPUAJSA-N 1 0 482.673 3.373 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001299031835 1064818690 /nfs/dbraw/zinc/81/86/90/1064818690.db2.gz BPSJWMUZMKVKAX-VHFRWLAGSA-N 1 0 482.673 3.496 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299031833 1064818796 /nfs/dbraw/zinc/81/87/96/1064818796.db2.gz BPSJWMUZMKVKAX-UMTXDNHDSA-N 1 0 482.673 3.496 20 0 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COc1cc(Cl)ccc1-c1nnc(N2CCCOCC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001299907911 1065151140 /nfs/dbraw/zinc/15/11/40/1065151140.db2.gz NPOJGMWODIFDOP-GOSISDBHSA-N 1 0 464.010 3.335 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCC(C)(C)O ZINC001299908346 1065152036 /nfs/dbraw/zinc/15/20/36/1065152036.db2.gz RYSZTSQDOSPPEX-GOSISDBHSA-N 1 0 478.037 3.317 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(OC)CCOC1 ZINC001299908411 1065152575 /nfs/dbraw/zinc/15/25/75/1065152575.db2.gz UPLIGAMOSRYILS-QHCPKHFHSA-N 1 0 464.010 3.333 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1nncn1C ZINC001299908425 1065152640 /nfs/dbraw/zinc/15/26/40/1065152640.db2.gz UVUYVCXHOGILNV-UHFFFAOYSA-N 1 0 458.998 3.095 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001299908748 1065153386 /nfs/dbraw/zinc/15/33/86/1065153386.db2.gz BFEMUTRCUAJFNY-IBGZPJMESA-N 1 0 461.010 3.006 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@H+](C)C(C)C ZINC001299909083 1065155041 /nfs/dbraw/zinc/15/50/41/1065155041.db2.gz MSSXNDSSHWKPSO-UHFFFAOYSA-N 1 0 485.036 3.372 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1C[C@H](C)[NH+](C)C ZINC001299909152 1065155570 /nfs/dbraw/zinc/15/55/70/1065155570.db2.gz OSVHJRXUNIAPGT-INIZCTEOSA-N 1 0 488.036 3.484 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001299910549 1065159984 /nfs/dbraw/zinc/15/99/84/1065159984.db2.gz BRKJEYGKEFSOJU-KRWDZBQOSA-N 1 0 496.077 3.495 20 0 JGADRO COc1cc(Cl)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001299916097 1065167293 /nfs/dbraw/zinc/16/72/93/1065167293.db2.gz KZYKZGLAPPVQLA-LJQANCHMSA-N 1 0 475.037 3.498 20 0 JGADRO COc1cc(F)cc(Cn2c(N3CC[NH+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001299920982 1065173361 /nfs/dbraw/zinc/17/33/61/1065173361.db2.gz ZVTDPVKMJZOKOB-XMMPIXPASA-N 1 0 461.582 3.045 20 0 JGADRO COc1cc(N(C)c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCC2)cc(OC)c1OC ZINC001299921715 1065174628 /nfs/dbraw/zinc/17/46/28/1065174628.db2.gz CMEXBMONPOMVQF-KRWDZBQOSA-N 1 0 459.591 3.450 20 0 JGADRO COc1cc(N(C)c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC001299922018 1065174635 /nfs/dbraw/zinc/17/46/35/1065174635.db2.gz CWDGSRQZTOQKLW-KRWDZBQOSA-N 1 0 467.574 3.261 20 0 JGADRO COc1cc(N(C)c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299924037 1065178690 /nfs/dbraw/zinc/17/86/90/1065178690.db2.gz PIULNNMGFYYPTR-ROUUACIJSA-N 1 0 459.591 3.450 20 0 JGADRO COc1cc(N(C)c2nnc([C@H]3CCC(=O)N3)n2CC2([NH+](C)C)CCCCC2)cc(OC)c1OC ZINC001299924311 1065179276 /nfs/dbraw/zinc/17/92/76/1065179276.db2.gz YMAZEAJCZQWCSM-GOSISDBHSA-N 1 0 486.617 3.287 20 0 JGADRO COc1cc(N(C)c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCCC2)cc(OC)c1OC ZINC001299924231 1065179311 /nfs/dbraw/zinc/17/93/11/1065179311.db2.gz VZTPYMDSPGPLDI-SFHVURJKSA-N 1 0 459.591 3.452 20 0 JGADRO COc1cc(NC2CCN(c3nnc(CC(C)(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)CC2)cc(OC)c1 ZINC001299925789 1065185312 /nfs/dbraw/zinc/18/53/12/1065185312.db2.gz KGHAGCMPODJPHN-AREMUKBSSA-N 1 0 486.661 3.031 20 0 JGADRO COc1cc(N[C@H]2CCCN(c3nnc(-c4ccc[nH]4)n3C[C@@H](C)[NH+](C)C)C2)cc(OC)c1 ZINC001299925953 1065185860 /nfs/dbraw/zinc/18/58/60/1065185860.db2.gz MEWGCOBSCHDGQK-MSOLQXFVSA-N 1 0 453.591 3.321 20 0 JGADRO CCN1C(=O)N=NC1C1CCN(C(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001299926611 1065187235 /nfs/dbraw/zinc/18/72/35/1065187235.db2.gz XEXKJZQGYUYVTH-NRFANRHFSA-N 1 0 451.493 3.164 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001299927325 1065188326 /nfs/dbraw/zinc/18/83/26/1065188326.db2.gz CLJAMZUTFPHUIM-UHFFFAOYSA-N 1 0 472.634 3.186 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)Cc3ccoc3C)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001299930532 1065193574 /nfs/dbraw/zinc/19/35/74/1065193574.db2.gz MOFVBCNAJGIPAF-SFHVURJKSA-N 1 0 469.586 3.468 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)Cc3cnn(C)c3C)n2CC2([NH+](C)C)CCC2)c1 ZINC001299930995 1065194210 /nfs/dbraw/zinc/19/42/10/1065194210.db2.gz QWXJCVBVCUXOHC-UHFFFAOYSA-N 1 0 453.591 3.125 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001299930873 1065194240 /nfs/dbraw/zinc/19/42/40/1065194240.db2.gz ONFOEKMHEBPWBP-NRFANRHFSA-N 1 0 465.558 3.228 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001299934292 1065200551 /nfs/dbraw/zinc/20/05/51/1065200551.db2.gz RZIKNBWVWNDMOZ-KDURUIRLSA-N 1 0 456.635 3.081 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001299934136 1065200630 /nfs/dbraw/zinc/20/06/30/1065200630.db2.gz QGHLXVDMBOXCAL-FQEVSTJZSA-N 1 0 484.645 3.141 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299935861 1065202663 /nfs/dbraw/zinc/20/26/63/1065202663.db2.gz IAKCTFMBAPODAD-SIBVEZHUSA-N 1 0 487.645 3.324 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001299943227 1065213757 /nfs/dbraw/zinc/21/37/57/1065213757.db2.gz IGDVAXRUOGNJBW-DEOSSOPVSA-N 1 0 473.618 3.078 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001299944983 1065216952 /nfs/dbraw/zinc/21/69/52/1065216952.db2.gz NLUICCPECOQOPM-LAUBAEHRSA-N 1 0 498.653 3.419 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001299945871 1065219125 /nfs/dbraw/zinc/21/91/25/1065219125.db2.gz WGOIERYLWGYSPQ-HXUWFJFHSA-N 1 0 472.634 3.044 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCN2CCOC2=O)c1 ZINC001299946844 1065221848 /nfs/dbraw/zinc/22/18/48/1065221848.db2.gz QDBLSCHSOFJBAQ-UHFFFAOYSA-N 1 0 486.617 3.115 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC001299946888 1065221986 /nfs/dbraw/zinc/22/19/86/1065221986.db2.gz RPFYTCVQYMGFMG-IBGZPJMESA-N 1 0 487.645 3.467 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001299951170 1065227737 /nfs/dbraw/zinc/22/77/37/1065227737.db2.gz QQJCRHXCPKDXOX-TZIWHRDSSA-N 1 0 487.645 3.203 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCC(F)(F)F)c1 ZINC001299953256 1065233761 /nfs/dbraw/zinc/23/37/61/1065233761.db2.gz XKMKBMMNXOFUEU-QGZVFWFLSA-N 1 0 483.535 3.463 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001299956601 1065235538 /nfs/dbraw/zinc/23/55/38/1065235538.db2.gz BERGQBVNPXDPLT-HXOBKFHXSA-N 1 0 461.632 3.395 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001299959450 1065239837 /nfs/dbraw/zinc/23/98/37/1065239837.db2.gz PODROYFMMUTECC-NHCUHLMSSA-N 1 0 497.644 3.424 20 0 JGADRO COc1cc(OC)cc(N2CCCN(c3nnc(-c4cccc(C)n4)n3C[C@H](C)[NH+](C)C)CC2)c1 ZINC001299959453 1065239860 /nfs/dbraw/zinc/23/98/60/1065239860.db2.gz POGAALRUXYMINP-FQEVSTJZSA-N 1 0 479.629 3.333 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)OC)n2CC2([NH+]3CCCC3)CCOCC2)c1 ZINC001299969520 1065255796 /nfs/dbraw/zinc/25/57/96/1065255796.db2.gz SOCWTGREBVYPIK-UHFFFAOYSA-N 1 0 480.407 3.359 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2(O)CCC2)c1 ZINC001299973181 1065260934 /nfs/dbraw/zinc/26/09/34/1065260934.db2.gz GJBGHGYCRGCDTG-UHFFFAOYSA-N 1 0 478.435 3.409 20 0 JGADRO COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC001299978457 1065274956 /nfs/dbraw/zinc/27/49/56/1065274956.db2.gz AOUVISORUASSRB-UYAOXDASSA-N 1 0 454.619 3.076 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001299984960 1065286638 /nfs/dbraw/zinc/28/66/38/1065286638.db2.gz RJXUXVWXEQTHTF-FFZOFVMBSA-N 1 0 452.559 3.331 20 0 JGADRO COc1ccc([C@@H](C)N(C)c2nnc(CN3CCCC3=O)n2CC[NH+]2CCCCCC2)cc1 ZINC001299987200 1065289103 /nfs/dbraw/zinc/28/91/03/1065289103.db2.gz QWZWREMRQHFLAG-HXUWFJFHSA-N 1 0 454.619 3.483 20 0 JGADRO COc1ccc([C@@H](Cn2c(C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)[NH+]2CCCC2)cc1 ZINC001299988252 1065291446 /nfs/dbraw/zinc/29/14/46/1065291446.db2.gz MDQMJWGEQNQSSE-AUSIDOKSSA-N 1 0 454.619 3.125 20 0 JGADRO COc1ccc([C@@H](Cn2c(-c3ccc(C)o3)nnc2N(C)[C@@H](C)CC(N)=O)[NH+]2CCCC2)cc1 ZINC001299988501 1065292030 /nfs/dbraw/zinc/29/20/30/1065292030.db2.gz OJTLJWSCZGYPBM-LAUBAEHRSA-N 1 0 466.586 3.392 20 0 JGADRO COc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C)C(=O)[C@H]2C)[NH+]2CCCC2)cc1 ZINC001299988807 1065292461 /nfs/dbraw/zinc/29/24/61/1065292461.db2.gz XLZQPPRWEBADDU-DENIHFKCSA-N 1 0 468.646 3.379 20 0 JGADRO COc1ccc(C)cc1CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001299990282 1065293893 /nfs/dbraw/zinc/29/38/93/1065293893.db2.gz GBTFBXWPDIDRSZ-NRFANRHFSA-N 1 0 463.630 3.238 20 0 JGADRO COc1ccc(-c2nnc(N(C)C3CC[NH+](CCn4cccn4)CC3)n2CC(C)C)cc1OC ZINC001299995142 1065302074 /nfs/dbraw/zinc/30/20/74/1065302074.db2.gz LWQLBSULRFBICC-UHFFFAOYSA-N 1 0 467.618 3.416 20 0 JGADRO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC(C)(C)[NH+]2CCCCC2)cc1OC ZINC001299996839 1065306115 /nfs/dbraw/zinc/30/61/15/1065306115.db2.gz QJDCXQMOIYZFDL-UHFFFAOYSA-N 1 0 472.634 3.188 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1Br ZINC001299997397 1065307522 /nfs/dbraw/zinc/30/75/22/1065307522.db2.gz VTKWJVZESGXFDU-RDJZCZTQSA-N 1 0 464.408 3.426 20 0 JGADRO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001492205838 1065320027 /nfs/dbraw/zinc/32/00/27/1065320027.db2.gz PDJFQYWHAPQLLE-DEOSSOPVSA-N 1 0 474.650 3.004 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(Cc4ccccn4)n3CC[N@@H+](C)C(C)C)CC2)cc1 ZINC001492205816 1065320081 /nfs/dbraw/zinc/32/00/81/1065320081.db2.gz OJPFKOKALCTFRL-UHFFFAOYSA-N 1 0 489.668 3.445 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001492207931 1065322057 /nfs/dbraw/zinc/32/20/57/1065322057.db2.gz DBMFFZQBDIDIRC-OTWHNJEPSA-N 1 0 480.654 3.093 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492208050 1065322272 /nfs/dbraw/zinc/32/22/72/1065322272.db2.gz ISQNRSAIKFZJGC-RBUKOAKNSA-N 1 0 480.654 3.093 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C[NH+]2CCCC2)c1 ZINC001492208708 1065322893 /nfs/dbraw/zinc/32/28/93/1065322893.db2.gz XKTQRBMSMGIHHD-GOSISDBHSA-N 1 0 480.654 3.094 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001492211204 1065323496 /nfs/dbraw/zinc/32/34/96/1065323496.db2.gz JSGHNJGWHKZZKH-JOCHJYFZSA-N 1 0 452.578 3.195 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)CC2)cc1 ZINC001492226259 1065329274 /nfs/dbraw/zinc/32/92/74/1065329274.db2.gz DDQFXXLJYWEKBS-UHFFFAOYSA-N 1 0 467.662 3.173 20 0 JGADRO Cc1ccc(N2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCC[N@H+](C)C(C)C)CC2=O)cc1 ZINC001492230060 1065331764 /nfs/dbraw/zinc/33/17/64/1065331764.db2.gz JTIHQPGKCDBLDQ-MHZLTWQESA-N 1 0 498.672 3.211 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001492234306 1065334758 /nfs/dbraw/zinc/33/47/58/1065334758.db2.gz BPYVPFJPVJFABM-RXVVDRJESA-N 1 0 483.661 3.228 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001492234307 1065334932 /nfs/dbraw/zinc/33/49/32/1065334932.db2.gz BPYVPFJPVJFABM-WIYYLYMNSA-N 1 0 483.661 3.228 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2[C@@H]2C[C@H]2CF)cc1C ZINC001492241557 1065340616 /nfs/dbraw/zinc/34/06/16/1065340616.db2.gz YCXDRNSXHHFKRN-AZUAARDMSA-N 1 0 458.582 3.225 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H]2C[C@@H]2C)cc1C ZINC001492241540 1065340824 /nfs/dbraw/zinc/34/08/24/1065340824.db2.gz YBFIFMDJUZTKTQ-VQTJNVASSA-N 1 0 454.619 3.350 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(N)=O)CC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001492247810 1065346537 /nfs/dbraw/zinc/34/65/37/1065346537.db2.gz OSTZBXOKDPZRNA-FQEVSTJZSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1C ZINC001492248653 1065347278 /nfs/dbraw/zinc/34/72/78/1065347278.db2.gz TUHGPSFVVIOMSA-QHCPKHFHSA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCC(=O)N(C)C)cc1C ZINC001492250224 1065349853 /nfs/dbraw/zinc/34/98/53/1065349853.db2.gz KJMREKYYDHOYCH-UHFFFAOYSA-N 1 0 481.645 3.080 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C)C3)n2CC2([NH+](C)C)CCOCC2)cc1C ZINC001492255316 1065355591 /nfs/dbraw/zinc/35/55/91/1065355591.db2.gz TUVALKUZSADYOB-SFHVURJKSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H]3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492268913 1065364035 /nfs/dbraw/zinc/36/40/35/1065364035.db2.gz ZMIMTSGNZNJBJL-RBBKRZOGSA-N 1 0 481.645 3.079 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001492268113 1065364356 /nfs/dbraw/zinc/36/43/56/1065364356.db2.gz SEWQVLQSTBNUNJ-QHCPKHFHSA-N 1 0 497.688 3.428 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001492289111 1065364943 /nfs/dbraw/zinc/36/49/43/1065364943.db2.gz SUCWSDFHKJFDGD-NRFANRHFSA-N 1 0 481.645 3.048 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001492273770 1065366663 /nfs/dbraw/zinc/36/66/63/1065366663.db2.gz MBRCHVBHGZFYBL-NRFANRHFSA-N 1 0 497.688 3.177 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCOCC[NH+](C)C)cc1C ZINC001492273572 1065366847 /nfs/dbraw/zinc/36/68/47/1065366847.db2.gz GOXDWMRCCQVDQC-AREMUKBSSA-N 1 0 486.661 3.367 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492273899 1065367385 /nfs/dbraw/zinc/36/73/85/1065367385.db2.gz OYNTZVXVYJNULT-JOCHJYFZSA-N 1 0 484.645 3.119 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@H]3CO)C2)nc1 ZINC001492276264 1065370418 /nfs/dbraw/zinc/37/04/18/1065370418.db2.gz NWQSAUNRDIGLEM-VXKWHMMOSA-N 1 0 497.688 3.371 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)C2)nc1 ZINC001492280290 1065373186 /nfs/dbraw/zinc/37/31/86/1065373186.db2.gz FFDQQXMRPPCPTL-XZOQPEGZSA-N 1 0 497.688 3.392 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492283876 1065376404 /nfs/dbraw/zinc/37/64/04/1065376404.db2.gz MYBFWVVEMFBAIZ-HNNXBMFYSA-N 1 0 474.407 3.369 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001492286661 1065378499 /nfs/dbraw/zinc/37/84/99/1065378499.db2.gz GYOYYYZRIUUSHQ-RUZDIDTESA-N 1 0 479.654 3.085 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001492286640 1065378534 /nfs/dbraw/zinc/37/85/34/1065378534.db2.gz FZWUCEJPQBGXAM-OAQYLSRUSA-N 1 0 454.619 3.287 20 0 JGADRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc([C@@H]4CCCOC4)n3C[C@@H](C)[NH+](C)C)C2)cc1 ZINC001492287102 1065379973 /nfs/dbraw/zinc/37/99/73/1065379973.db2.gz AXQLNSKQZDEWBH-BHIFYINESA-N 1 0 483.661 3.469 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001492288522 1065383165 /nfs/dbraw/zinc/38/31/65/1065383165.db2.gz YPEMRFVMVNCBPR-UHFFFAOYSA-N 1 0 462.602 3.383 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001492318559 1065394186 /nfs/dbraw/zinc/39/41/86/1065394186.db2.gz XEGHXJKLSJNTNN-FQEVSTJZSA-N 1 0 475.659 3.053 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3cscn3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001492325697 1065398117 /nfs/dbraw/zinc/39/81/17/1065398117.db2.gz QJJGKJXHNQJCDW-UHFFFAOYSA-N 1 0 456.616 3.105 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001492337591 1065405342 /nfs/dbraw/zinc/40/53/42/1065405342.db2.gz HUETWUUAWGOETF-VXKWHMMOSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001492339982 1065408357 /nfs/dbraw/zinc/40/83/57/1065408357.db2.gz PRLVYOOOVSNSCP-OAQYLSRUSA-N 1 0 471.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001492352896 1065414733 /nfs/dbraw/zinc/41/47/33/1065414733.db2.gz RGXPHBNJALRTDD-WNCULLNHSA-N 1 0 484.689 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001492359296 1065420435 /nfs/dbraw/zinc/42/04/35/1065420435.db2.gz IZHLXSOCPPUHPL-NRFANRHFSA-N 1 0 490.599 3.344 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001492369781 1065430303 /nfs/dbraw/zinc/43/03/03/1065430303.db2.gz BJYJKGPRAVBXGX-OAQYLSRUSA-N 1 0 454.619 3.097 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492370307 1065431790 /nfs/dbraw/zinc/43/17/90/1065431790.db2.gz HQTFPZZWAXROIH-BDTNDASRSA-N 1 0 498.672 3.145 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492370304 1065431826 /nfs/dbraw/zinc/43/18/26/1065431826.db2.gz HPXOMIZSKUMCBX-SFTDATJTSA-N 1 0 456.635 3.104 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492372203 1065436505 /nfs/dbraw/zinc/43/65/05/1065436505.db2.gz XHWBEDCHIYXPGU-OFVILXPXSA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492372205 1065436561 /nfs/dbraw/zinc/43/65/61/1065436561.db2.gz XHWBEDCHIYXPGU-SQJMNOBHSA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492376862 1065439862 /nfs/dbraw/zinc/43/98/62/1065439862.db2.gz GXPWDGVMBHISMO-YADHBBJMSA-N 1 0 468.646 3.379 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCO[C@H]2CCOC2)cc1 ZINC001492382790 1065444748 /nfs/dbraw/zinc/44/47/48/1065444748.db2.gz DAMWDLKKBGPEHY-QFIPXVFZSA-N 1 0 457.619 3.282 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CCC(C)C)cc1C ZINC001492383327 1065447938 /nfs/dbraw/zinc/44/79/38/1065447938.db2.gz QUEWWFVYYHRTNM-QHCPKHFHSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001492384087 1065450208 /nfs/dbraw/zinc/45/02/08/1065450208.db2.gz DGAPWWSPOVIUPB-QFIPXVFZSA-N 1 0 468.646 3.261 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CCNC(=O)C(C)C)cc1 ZINC001492384202 1065450352 /nfs/dbraw/zinc/45/03/52/1065450352.db2.gz DWWVVEABAQDXHO-OAQYLSRUSA-N 1 0 468.646 3.248 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001492384085 1065450408 /nfs/dbraw/zinc/45/04/08/1065450408.db2.gz DGAPWWSPOVIUPB-JOCHJYFZSA-N 1 0 468.646 3.261 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCC(=O)NC(C)C)cc1C ZINC001492385197 1065452037 /nfs/dbraw/zinc/45/20/37/1065452037.db2.gz OBYWFQWQKKGDBI-QFIPXVFZSA-N 1 0 498.672 3.078 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H](c2cccs2)[NH+](C)C)cc1C ZINC001492390858 1065455566 /nfs/dbraw/zinc/45/55/66/1065455566.db2.gz DIWJCIVHFPNBSW-HXUWFJFHSA-N 1 0 468.627 3.165 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492346148 1065461152 /nfs/dbraw/zinc/46/11/52/1065461152.db2.gz YUKHDXXMCJUTMT-SFTDATJTSA-N 1 0 457.619 3.198 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001492346907 1065461750 /nfs/dbraw/zinc/46/17/50/1065461750.db2.gz NFIJAEKDLTVJGX-GOSISDBHSA-N 1 0 494.562 3.155 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001492391972 1065463585 /nfs/dbraw/zinc/46/35/85/1065463585.db2.gz VOWPQPNAKQTWEA-LJQANCHMSA-N 1 0 468.646 3.311 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@](C)(c4cnn(C)c4)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492393821 1065466011 /nfs/dbraw/zinc/46/60/11/1065466011.db2.gz MTOZMQBLXPNOPS-AREMUKBSSA-N 1 0 481.645 3.300 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001492396097 1065468507 /nfs/dbraw/zinc/46/85/07/1065468507.db2.gz XRRQUZAFYDKXHW-DEOSSOPVSA-N 1 0 471.646 3.448 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1C ZINC001492401480 1065471029 /nfs/dbraw/zinc/47/10/29/1065471029.db2.gz NGMMDQFGUDSKJS-UHFFFAOYSA-N 1 0 459.660 3.165 20 0 JGADRO Cc1ccc(OCc2nnc(Nc3ccn(C)n3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001492409392 1065475180 /nfs/dbraw/zinc/47/51/80/1065475180.db2.gz UPEVXRYFPFRUOX-WOJBJXKFSA-N 1 0 453.591 3.450 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492409984 1065475493 /nfs/dbraw/zinc/47/54/93/1065475493.db2.gz ZUHOBXKHJPMOIM-AOHZBQACSA-N 1 0 471.646 3.444 20 0 JGADRO Cc1ccc(OCCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001492412058 1065476210 /nfs/dbraw/zinc/47/62/10/1065476210.db2.gz LAFYKDNMKNFSBE-JOCHJYFZSA-N 1 0 454.619 3.364 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492432267 1065489822 /nfs/dbraw/zinc/48/98/22/1065489822.db2.gz YQOPSSOXKOGKGO-SFTDATJTSA-N 1 0 488.702 3.389 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001492452609 1065503404 /nfs/dbraw/zinc/50/34/04/1065503404.db2.gz IIOWCWWMRNFVJC-PMACEKPBSA-N 1 0 456.660 3.278 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492461679 1065509621 /nfs/dbraw/zinc/50/96/21/1065509621.db2.gz HCGYTEOHUXWZCX-QUCCMNQESA-N 1 0 465.689 3.232 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001492470380 1065520508 /nfs/dbraw/zinc/52/05/08/1065520508.db2.gz MLSRODOOTHOBFL-YDIMBITNSA-N 1 0 474.675 3.401 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001300797625 1065529740 /nfs/dbraw/zinc/52/97/40/1065529740.db2.gz OFPWLQSRPGKQIC-FBLLAGFSSA-N 1 0 463.667 3.302 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CC(C)C)[NH+](C)C)CC1(C)C ZINC001300798843 1065531247 /nfs/dbraw/zinc/53/12/47/1065531247.db2.gz TYXAFDUKGBTACS-DCLXLUIPSA-N 1 0 451.656 3.156 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCSCC2)CC[C@H]1C ZINC001300799089 1065531763 /nfs/dbraw/zinc/53/17/63/1065531763.db2.gz USAPVKJTLVXDHL-LVCYWYKZSA-N 1 0 463.623 3.467 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC001300809602 1065540406 /nfs/dbraw/zinc/54/04/06/1065540406.db2.gz KKMVHTBYHWBUIZ-DOADOZAASA-N 1 0 463.026 3.354 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1(C)C ZINC001300812641 1065542800 /nfs/dbraw/zinc/54/28/00/1065542800.db2.gz KTPWJNDENGVUQO-FGZHOGPDSA-N 1 0 468.646 3.057 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2([NH+](C)C)CCOCC2)CC[C@H]1C ZINC001300826515 1065554954 /nfs/dbraw/zinc/55/49/54/1065554954.db2.gz NWIYULSBIFSPRA-DYESRHJHSA-N 1 0 463.573 3.119 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CC1(C)C ZINC001300828569 1065557311 /nfs/dbraw/zinc/55/73/11/1065557311.db2.gz YBPPYLKZYVEPNA-HSZRJFAPSA-N 1 0 472.653 3.143 20 0 JGADRO 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COC[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001301265310 1066081147 /nfs/dbraw/zinc/08/11/47/1066081147.db2.gz KVXDPEIOPCLLJC-PCCBWWKXSA-N 1 0 457.619 3.316 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001301276338 1066087343 /nfs/dbraw/zinc/08/73/43/1066087343.db2.gz QQEKUJNABWHXCM-OAQYLSRUSA-N 1 0 462.038 3.498 20 0 JGADRO COC[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001301283092 1066091046 /nfs/dbraw/zinc/09/10/46/1066091046.db2.gz NUJSCUMBBKKLMM-MBSDFSHPSA-N 1 0 463.623 3.296 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001301283553 1066091579 /nfs/dbraw/zinc/09/15/79/1066091579.db2.gz PKOLQJQLWSNIHK-HSZRJFAPSA-N 1 0 484.689 3.363 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301293684 1066098165 /nfs/dbraw/zinc/09/81/65/1066098165.db2.gz IWVXLCWPQLCPHT-HSALFYBXSA-N 1 0 487.645 3.323 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001301293257 1066098338 /nfs/dbraw/zinc/09/83/38/1066098338.db2.gz GJXUSDGEZOSFJI-GHTZIAJQSA-N 1 0 479.572 3.376 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001301294341 1066099403 /nfs/dbraw/zinc/09/94/03/1066099403.db2.gz MJHMGDYBXPCBBY-RXVVDRJESA-N 1 0 479.572 3.376 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001301295050 1066099974 /nfs/dbraw/zinc/09/99/74/1066099974.db2.gz QBRGBUBWELBAKD-RHSMWYFYSA-N 1 0 463.380 3.404 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001301296105 1066101099 /nfs/dbraw/zinc/10/10/99/1066101099.db2.gz USSZZNLEYSVVPA-MRXNPFEDSA-N 1 0 496.425 3.430 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001301296790 1066101793 /nfs/dbraw/zinc/10/17/93/1066101793.db2.gz BBAMTXQPNJQQKX-INIZCTEOSA-N 1 0 466.449 3.229 20 0 JGADRO 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COC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301396324 1066177439 /nfs/dbraw/zinc/17/74/39/1066177439.db2.gz JIUOQRDICBTMJH-FUPPJEDESA-N 1 0 471.646 3.097 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001301396361 1066177461 /nfs/dbraw/zinc/17/74/61/1066177461.db2.gz JSYXSKIBUGCDQZ-RCZSKKKRSA-N 1 0 459.610 3.369 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001301398007 1066179023 /nfs/dbraw/zinc/17/90/23/1066179023.db2.gz YFYSCYKDIDTWRB-IRLDBZIGSA-N 1 0 459.610 3.228 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H](C)O1 ZINC001301397987 1066179065 /nfs/dbraw/zinc/17/90/65/1066179065.db2.gz XZQYQLLDONNWIL-HFSMHLIXSA-N 1 0 457.550 3.144 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@@H](C)O1 ZINC001301398375 1066179517 /nfs/dbraw/zinc/17/95/17/1066179517.db2.gz DCEVLDHGSQBBGY-QNJCZANYSA-N 1 0 476.691 3.384 20 0 JGADRO 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COCCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001301416378 1066207408 /nfs/dbraw/zinc/20/74/08/1066207408.db2.gz GQQSYJKLUIBTSB-OAQYLSRUSA-N 1 0 489.686 3.476 20 0 JGADRO COCCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001301426255 1066221581 /nfs/dbraw/zinc/22/15/81/1066221581.db2.gz KIRCBWLHVXUHKL-UHFFFAOYSA-N 1 0 456.635 3.260 20 0 JGADRO CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001301431392 1066228907 /nfs/dbraw/zinc/22/89/07/1066228907.db2.gz MHOAXIMKMCRMIP-QHCPKHFHSA-N 1 0 454.640 3.325 20 0 JGADRO COCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301944941 1066229370 /nfs/dbraw/zinc/22/93/70/1066229370.db2.gz SEZFVDYYDGHCIQ-JOCHJYFZSA-N 1 0 470.662 3.166 20 0 JGADRO COCC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001301434781 1066233873 /nfs/dbraw/zinc/23/38/73/1066233873.db2.gz OTARYOCWTMQVEY-MHZLTWQESA-N 1 0 498.672 3.389 20 0 JGADRO COCC[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301437752 1066239512 /nfs/dbraw/zinc/23/95/12/1066239512.db2.gz MCPXNSRCQKYVCX-VGOFRKELSA-N 1 0 496.425 3.309 20 0 JGADRO COCC[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001301438570 1066242221 /nfs/dbraw/zinc/24/22/21/1066242221.db2.gz BLQDTTXAXRWYRM-KBMIEXCESA-N 1 0 453.587 3.345 20 0 JGADRO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001301948999 1066243423 /nfs/dbraw/zinc/24/34/23/1066243423.db2.gz YKPWSWIWUDRAQY-DENIHFKCSA-N 1 0 474.675 3.107 20 0 JGADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001301948963 1066243835 /nfs/dbraw/zinc/24/38/35/1066243835.db2.gz PAOLNQPDQLNQLW-RTBURBONSA-N 1 0 484.674 3.003 20 0 JGADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(C(C)C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001301948971 1066243943 /nfs/dbraw/zinc/24/39/43/1066243943.db2.gz PIDGSHFXMZGDTC-NRFANRHFSA-N 1 0 450.678 3.043 20 0 JGADRO 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COCCO[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001302151544 1066602829 /nfs/dbraw/zinc/60/28/29/1066602829.db2.gz MBECGDFWONOLEN-TZIWHRDSSA-N 1 0 456.616 3.336 20 0 JGADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001301709601 1066603538 /nfs/dbraw/zinc/60/35/38/1066603538.db2.gz UVHILTQHJRXZKH-AEFFLSMTSA-N 1 0 458.573 3.297 20 0 JGADRO COCCO[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC001302152015 1066603999 /nfs/dbraw/zinc/60/39/99/1066603999.db2.gz SZUVCSRUTACRLU-KNQAVFIVSA-N 1 0 488.036 3.267 20 0 JGADRO COCCO[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001302151975 1066604002 /nfs/dbraw/zinc/60/40/02/1066604002.db2.gz PFCISKGZHCWQSN-ZVDOUQERSA-N 1 0 493.052 3.125 20 0 JGADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCOc3c(C)cccc3C)C[C@@H]2C)CC1 ZINC001301710126 1066604120 /nfs/dbraw/zinc/60/41/20/1066604120.db2.gz XEBGOHMAAZXXKX-LADGPHEKSA-N 1 0 482.673 3.476 20 0 JGADRO 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CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2OCC[NH+](C)C)[C@H](C)C1 ZINC001301723487 1066634860 /nfs/dbraw/zinc/63/48/60/1066634860.db2.gz ZPWNZJSIZQMLJY-GOSISDBHSA-N 1 0 498.031 3.039 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001301723350 1066634897 /nfs/dbraw/zinc/63/48/97/1066634897.db2.gz ZKAAIDLPYZAFQR-UHFFFAOYSA-N 1 0 460.026 3.318 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC001301723867 1066635322 /nfs/dbraw/zinc/63/53/22/1066635322.db2.gz FGKITGQMDSHYLX-INIZCTEOSA-N 1 0 475.435 3.249 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001301724282 1066635943 /nfs/dbraw/zinc/63/59/43/1066635943.db2.gz DPILHBFSXSNAJL-UHFFFAOYSA-N 1 0 463.424 3.106 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001301724278 1066635964 /nfs/dbraw/zinc/63/59/64/1066635964.db2.gz DNQLUDNRKMPNMG-AWEZNQCLSA-N 1 0 469.453 3.166 20 0 JGADRO 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CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001301790170 1066740504 /nfs/dbraw/zinc/74/05/04/1066740504.db2.gz XTPZUBHASMRFOQ-SZPZYZBQSA-N 1 0 481.689 3.478 20 0 JGADRO CC(=O)Nc1ccc(Cn2c(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)nnc2C(C)(C)C)cc1 ZINC001301794011 1066743848 /nfs/dbraw/zinc/74/38/48/1066743848.db2.gz QBUGBHZVAJDKAP-QHCPKHFHSA-N 1 0 467.662 3.187 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301795216 1066745841 /nfs/dbraw/zinc/74/58/41/1066745841.db2.gz FXZKNWFYWORRBF-KPQWGBOZSA-N 1 0 496.660 3.073 20 0 JGADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCCCCO ZINC001302231811 1066747453 /nfs/dbraw/zinc/74/74/53/1066747453.db2.gz JQGBTEBDTVCGPR-FQEVSTJZSA-N 1 0 462.639 3.045 20 0 JGADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@@H]1COCCO1 ZINC001302233075 1066751169 /nfs/dbraw/zinc/75/11/69/1066751169.db2.gz QNVMFLPLNQKEBY-UXHICEINSA-N 1 0 492.665 3.076 20 0 JGADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCSCC2)n1CC[NH+]1CCCCC1 ZINC001302233657 1066752569 /nfs/dbraw/zinc/75/25/69/1066752569.db2.gz TTWKMSHSYSWCAG-SFHVURJKSA-N 1 0 450.653 3.389 20 0 JGADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC(F)(F)CC2)n1CC[N@H+]1CC=CCC1 ZINC001302234778 1066754751 /nfs/dbraw/zinc/75/47/51/1066754751.db2.gz UWBYWARQTKTNJN-GOSISDBHSA-N 1 0 482.576 3.084 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccn3C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001301804690 1066756555 /nfs/dbraw/zinc/75/65/55/1066756555.db2.gz YEPSLMAAAGXNBP-KPQWGBOZSA-N 1 0 455.651 3.289 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001301804653 1066756640 /nfs/dbraw/zinc/75/66/40/1066756640.db2.gz HIODTCAYBNWLJZ-VNXZQDSDSA-N 1 0 482.608 3.004 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1CC[NH+]1CCCC1 ZINC001302237512 1066757303 /nfs/dbraw/zinc/75/73/03/1066757303.db2.gz FCPRQIRUKDTDKB-MZKBIRTCSA-N 1 0 475.659 3.033 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302238882 1066759560 /nfs/dbraw/zinc/75/95/60/1066759560.db2.gz RIZQIUGFTWPWMZ-ZRBLBEILSA-N 1 0 457.619 3.116 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302239070 1066760039 /nfs/dbraw/zinc/76/00/39/1066760039.db2.gz YESMUKNYAYYDOI-JBIZMDSKSA-N 1 0 475.659 3.342 20 0 JGADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCCCO1 ZINC001302239724 1066761880 /nfs/dbraw/zinc/76/18/80/1066761880.db2.gz CHNLHIMYEOPHSN-VQTJNVASSA-N 1 0 492.665 3.076 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[NH+]2CCOCC2)C1 ZINC001301817126 1066774680 /nfs/dbraw/zinc/77/46/80/1066774680.db2.gz BPMBODDPIWRPKU-LJQANCHMSA-N 1 0 495.455 3.469 20 0 JGADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001301817388 1066775774 /nfs/dbraw/zinc/77/57/74/1066775774.db2.gz CGAKQCLNLKMVTM-YJBOKZPZSA-N 1 0 493.425 3.436 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[NH+]1CCC(C)CC1 ZINC001302248015 1066779589 /nfs/dbraw/zinc/77/95/89/1066779589.db2.gz GCRCBFGWTKOYOV-RXVVDRJESA-N 1 0 463.026 3.419 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301819563 1066780543 /nfs/dbraw/zinc/78/05/43/1066780543.db2.gz VNGLYIOBVWEHSC-KGVIQGDOSA-N 1 0 475.037 3.203 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001301819981 1066781735 /nfs/dbraw/zinc/78/17/35/1066781735.db2.gz XTEMKYXCZDQHTF-TZIWHRDSSA-N 1 0 474.053 3.466 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001301819980 1066781772 /nfs/dbraw/zinc/78/17/72/1066781772.db2.gz XTEMKYXCZDQHTF-PZJWPPBQSA-N 1 0 474.053 3.466 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(F)(F)F)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001302248822 1066781977 /nfs/dbraw/zinc/78/19/77/1066781977.db2.gz WMNMLTGTVUJTAO-PMACEKPBSA-N 1 0 467.536 3.449 20 0 JGADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301820830 1066782230 /nfs/dbraw/zinc/78/22/30/1066782230.db2.gz LMZKRDDOFTWYDZ-VWPQPMDRSA-N 1 0 468.646 3.246 20 0 JGADRO COCCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001301828236 1066793610 /nfs/dbraw/zinc/79/36/10/1066793610.db2.gz SIKOOFBWNADTJF-UHFFFAOYSA-N 1 0 474.009 3.051 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301829555 1066794887 /nfs/dbraw/zinc/79/48/87/1066794887.db2.gz OMNSOFBKPMKYBN-YZUZCNPQSA-N 1 0 452.647 3.289 20 0 JGADRO CC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001301829633 1066795358 /nfs/dbraw/zinc/79/53/58/1066795358.db2.gz PZEOEXRCJOZVAV-RPWUZVMVSA-N 1 0 452.647 3.289 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301829690 1066795411 /nfs/dbraw/zinc/79/54/11/1066795411.db2.gz VDUQEJBYDQLLMI-ZRCGQRJVSA-N 1 0 467.662 3.125 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001301829689 1066795546 /nfs/dbraw/zinc/79/55/46/1066795546.db2.gz VDUQEJBYDQLLMI-TXTKFYIRSA-N 1 0 467.662 3.125 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccn2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302254534 1066796254 /nfs/dbraw/zinc/79/62/54/1066796254.db2.gz XDGJYTFYNLROQO-PMOQBDJRSA-N 1 0 468.577 3.476 20 0 JGADRO CC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001301830425 1066796378 /nfs/dbraw/zinc/79/63/78/1066796378.db2.gz YGUPFKPNRKKURE-RBBKRZOGSA-N 1 0 485.633 3.181 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001301831192 1066797487 /nfs/dbraw/zinc/79/74/87/1066797487.db2.gz CTGCELQJHHCUGA-JTHBVZDNSA-N 1 0 468.646 3.392 20 0 JGADRO CC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001301833009 1066799552 /nfs/dbraw/zinc/79/95/52/1066799552.db2.gz NKDOQSNKBFHHCE-GMAHTHKFSA-N 1 0 468.646 3.311 20 0 JGADRO C[NH+](C)CCSc1nc(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cs1 ZINC001302257425 1066802078 /nfs/dbraw/zinc/80/20/78/1066802078.db2.gz QRXQQSLKCUVJKK-HNNXBMFYSA-N 1 0 456.996 3.054 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cnc(C)s2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302257678 1066802637 /nfs/dbraw/zinc/80/26/37/1066802637.db2.gz DSRCYOKUSWRCSX-VKRLORBYSA-N 1 0 492.690 3.291 20 0 JGADRO CC(=O)NC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001301843489 1066815358 /nfs/dbraw/zinc/81/53/58/1066815358.db2.gz MEBICQXPUKPNCA-XMMPIXPASA-N 1 0 484.645 3.404 20 0 JGADRO CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCC2)CCO1 ZINC001302264464 1066815556 /nfs/dbraw/zinc/81/55/56/1066815556.db2.gz STPFQJLMMCBJJP-HXUWFJFHSA-N 1 0 462.639 3.152 20 0 JGADRO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301843870 1066816367 /nfs/dbraw/zinc/81/63/67/1066816367.db2.gz CGCDYFKUPVZXRQ-HXUWFJFHSA-N 1 0 473.691 3.107 20 0 JGADRO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001301844136 1066816942 /nfs/dbraw/zinc/81/69/42/1066816942.db2.gz FKNBGDOXJUUIFO-UHFFFAOYSA-N 1 0 487.718 3.497 20 0 JGADRO CC(=O)NC1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001301851122 1066827226 /nfs/dbraw/zinc/82/72/26/1066827226.db2.gz PEGWBVTUVDFLLD-UHFFFAOYSA-N 1 0 486.686 3.095 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCCCC2)C1 ZINC001301852468 1066829602 /nfs/dbraw/zinc/82/96/02/1066829602.db2.gz DLVZSQXGJPUIBN-IBGZPJMESA-N 1 0 460.026 3.222 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001302271201 1066829832 /nfs/dbraw/zinc/82/98/32/1066829832.db2.gz CGJBZTZDDIUBCJ-GBAJDQEWSA-N 1 0 457.619 3.309 20 0 JGADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001301853321 1066831409 /nfs/dbraw/zinc/83/14/09/1066831409.db2.gz KJUGUGDXDLTTML-WZONZLPQSA-N 1 0 477.078 3.388 20 0 JGADRO CC(C)(C)OC(=O)NCCCn1c(N2CCC(C[NH+]3CCOCC3)CC2)nnc1C(C)(C)C ZINC001302273562 1066833889 /nfs/dbraw/zinc/83/38/89/1066833889.db2.gz RUIZKARLOVVWBX-UHFFFAOYSA-N 1 0 464.655 3.039 20 0 JGADRO COCCn1cc(Cn2c(CC(C)(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC001301854801 1066834348 /nfs/dbraw/zinc/83/43/48/1066834348.db2.gz WJBZZQVBYVJRRI-NRFANRHFSA-N 1 0 465.646 3.469 20 0 JGADRO CC(C)(C)OC(=O)NCCn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001302274614 1066836816 /nfs/dbraw/zinc/83/68/16/1066836816.db2.gz BGJWKJWUFMBSIE-UHFFFAOYSA-N 1 0 455.607 3.320 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001301856622 1066837792 /nfs/dbraw/zinc/83/77/92/1066837792.db2.gz GVPYBOUEKZPZCQ-QHCPKHFHSA-N 1 0 461.614 3.133 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301857971 1066840053 /nfs/dbraw/zinc/84/00/53/1066840053.db2.gz MSHFNOQKCCOQLP-UNMCSNQZSA-N 1 0 453.635 3.121 20 0 JGADRO 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MCQKDHYMGJIJHA-NRFANRHFSA-N 1 0 498.672 3.284 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2(C(N)=O)CCOCC2)c1C ZINC001304023347 1067068545 /nfs/dbraw/zinc/06/85/45/1067068545.db2.gz MCQKDHYMGJIJHA-OAQYLSRUSA-N 1 0 498.672 3.284 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCn2cc(CO)nn2)c1C ZINC001304026422 1067073358 /nfs/dbraw/zinc/07/33/58/1067073358.db2.gz SDURNJODTWVOBB-QFIPXVFZSA-N 1 0 496.660 3.130 20 0 JGADRO CC(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001302470667 1067074783 /nfs/dbraw/zinc/07/47/83/1067074783.db2.gz USDCLBQGBVLWST-DHIUTWEWSA-N 1 0 468.646 3.393 20 0 JGADRO CC1=C(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001304029024 1067076984 /nfs/dbraw/zinc/07/69/84/1067076984.db2.gz MWPVPEYPUTVJLD-OAQYLSRUSA-N 1 0 486.686 3.347 20 0 JGADRO CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041950 1067085360 /nfs/dbraw/zinc/08/53/60/1067085360.db2.gz AHZPXPPEXDXUCG-QZTJIDSGSA-N 1 0 454.384 3.429 20 0 JGADRO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041952 1067085697 /nfs/dbraw/zinc/08/56/97/1067085697.db2.gz AHZPXPPEXDXUCG-ZWKOTPCHSA-N 1 0 454.384 3.429 20 0 JGADRO Cc1nc(CN2CCN(c3nnc(Cc4ccncc4)n3CC[NH+](C(C)C)C(C)C)CC2)oc1C ZINC001304044514 1067086914 /nfs/dbraw/zinc/08/69/14/1067086914.db2.gz FZKGRPSOFDSUBZ-UHFFFAOYSA-N 1 0 480.661 3.310 20 0 JGADRO Cc1nc(CN2CCN(c3nnc([C@H]4CCCO4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)oc1C ZINC001304045775 1067088470 /nfs/dbraw/zinc/08/84/70/1067088470.db2.gz SYFZJUDQKDBAOS-LEWJYISDSA-N 1 0 459.639 3.033 20 0 JGADRO Cc1nc(CCn2c(CC(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)sc1C ZINC001304046017 1067088799 /nfs/dbraw/zinc/08/87/99/1067088799.db2.gz LLTMBRFBLKJYTE-UHFFFAOYSA-N 1 0 456.664 3.238 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)(F)F)n1CC[N@H+]1CC=CCC1 ZINC001304056880 1067096836 /nfs/dbraw/zinc/09/68/36/1067096836.db2.gz GCHBBPDTMAJXRI-UHFFFAOYSA-N 1 0 485.580 3.197 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C ZINC001304057702 1067099289 /nfs/dbraw/zinc/09/92/89/1067099289.db2.gz ZUJBFKPXZGOWGB-SJLPKXTDSA-N 1 0 461.680 3.369 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001302502936 1067102335 /nfs/dbraw/zinc/10/23/35/1067102335.db2.gz GYISVLHKZQMKIV-RBUKOAKNSA-N 1 0 453.635 3.200 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)Cc2cccs2)n1C[C@@H](C)[NH+](C)C ZINC001304059542 1067102341 /nfs/dbraw/zinc/10/23/41/1067102341.db2.gz VSLCTWXXSSNVAM-OAHLLOKOSA-N 1 0 461.661 3.195 20 0 JGADRO Cc1n[nH]cc1CCCn1c(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001304064796 1067109301 /nfs/dbraw/zinc/10/93/01/1067109301.db2.gz XUSXVGIBSKQMSF-JOCHJYFZSA-N 1 0 451.619 3.096 20 0 JGADRO C[S@@](=O)C1(Cn2c(N3CCC(CCC[NH+]4CCOCC4)CC3)nnc2C(C)(C)C)CCC1 ZINC001302507867 1067111170 /nfs/dbraw/zinc/11/11/70/1067111170.db2.gz FBQKZUKBUKRWBJ-JGCGQSQUSA-N 1 0 465.708 3.206 20 0 JGADRO C[S@@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC001302508978 1067114110 /nfs/dbraw/zinc/11/41/10/1067114110.db2.gz WTJGZLYCPHBECJ-JGCGQSQUSA-N 1 0 465.708 3.249 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCCCC2)CC1 ZINC001302511136 1067121268 /nfs/dbraw/zinc/12/12/68/1067121268.db2.gz QPVLVLVWMDHFQD-IFMALSPDSA-N 1 0 460.667 3.383 20 0 JGADRO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCCC1 ZINC001302511717 1067123067 /nfs/dbraw/zinc/12/30/67/1067123067.db2.gz WGLXFOLRCNERQZ-OAQYLSRUSA-N 1 0 472.609 3.289 20 0 JGADRO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)[C@@H]1C)[NH+]1CCCC1 ZINC001302512102 1067124311 /nfs/dbraw/zinc/12/43/11/1067124311.db2.gz BHPGZNSYENJYGH-OTWHNJEPSA-N 1 0 457.648 3.376 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCCCC1 ZINC001304080403 1067125654 /nfs/dbraw/zinc/12/56/54/1067125654.db2.gz ZSHOZVCFHJYOLJ-UHFFFAOYSA-N 1 0 474.656 3.236 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H](C)[NH+]2CCCCC2)cnn1C ZINC001304080100 1067125705 /nfs/dbraw/zinc/12/57/05/1067125705.db2.gz XFZAQGHJYMCRPV-LJQANCHMSA-N 1 0 499.685 3.291 20 0 JGADRO Cc1c(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCOCC2)cnn1C ZINC001304081173 1067127040 /nfs/dbraw/zinc/12/70/40/1067127040.db2.gz IBLINBQZTYBLOH-IBGZPJMESA-N 1 0 485.608 3.346 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCOCC2)cnn1C ZINC001304081175 1067127061 /nfs/dbraw/zinc/12/70/61/1067127061.db2.gz IBLINBQZTYBLOH-LJQANCHMSA-N 1 0 485.608 3.346 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC(F)F)cc1)[NH+]1CCOCC1 ZINC001302514295 1067130660 /nfs/dbraw/zinc/13/06/60/1067130660.db2.gz AQHUZJMCNJGOAN-OAQYLSRUSA-N 1 0 489.571 3.273 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSC[C@@H]1C)[NH+]1CCOCC1 ZINC001302514763 1067131755 /nfs/dbraw/zinc/13/17/55/1067131755.db2.gz SLMFFNXKPBKNHI-MAUKXSAKSA-N 1 0 483.480 3.334 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001302515284 1067133390 /nfs/dbraw/zinc/13/33/90/1067133390.db2.gz WSLNKEGQWDZVRV-XLIONFOSSA-N 1 0 478.435 3.290 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001302515277 1067133415 /nfs/dbraw/zinc/13/34/15/1067133415.db2.gz WRWLDYJGUSMCLS-GOSISDBHSA-N 1 0 495.853 3.418 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(Cc2cccnc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001304091646 1067134619 /nfs/dbraw/zinc/13/46/19/1067134619.db2.gz FQZYQNJOGOVUQH-SFHVURJKSA-N 1 0 455.632 3.166 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302516615 1067135628 /nfs/dbraw/zinc/13/56/28/1067135628.db2.gz WGWKEOOQIPZJHO-SFTDATJTSA-N 1 0 486.665 3.245 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001304092372 1067135759 /nfs/dbraw/zinc/13/57/59/1067135759.db2.gz WRIHKHVOKUBGNM-IBGZPJMESA-N 1 0 458.607 3.256 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCCc1ccccn1)[NH+]1CCOCC1 ZINC001302517951 1067137411 /nfs/dbraw/zinc/13/74/11/1067137411.db2.gz CAMAEEICFTVNJB-HSZRJFAPSA-N 1 0 451.619 3.104 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302518357 1067137856 /nfs/dbraw/zinc/13/78/56/1067137856.db2.gz FXEBZEHGXCMWEU-FQEVSTJZSA-N 1 0 493.578 3.355 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001302519381 1067139058 /nfs/dbraw/zinc/13/90/58/1067139058.db2.gz NEAZLDNFPGRPNT-BJLQDIEVSA-N 1 0 457.623 3.495 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302521412 1067140643 /nfs/dbraw/zinc/14/06/43/1067140643.db2.gz XUNTWWBIMNATSF-UGKGYDQZSA-N 1 0 484.567 3.160 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302523942 1067145262 /nfs/dbraw/zinc/14/52/62/1067145262.db2.gz MGDROEXYNSBCCH-WOJBJXKFSA-N 1 0 464.655 3.252 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001302525175 1067147423 /nfs/dbraw/zinc/14/74/23/1067147423.db2.gz QSYLSSFUOVMYDW-FHWLQOOXSA-N 1 0 459.557 3.450 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCCC1 ZINC001302525547 1067148660 /nfs/dbraw/zinc/14/86/60/1067148660.db2.gz NRXINTULUBXARC-NQIIRXRSSA-N 1 0 459.038 3.310 20 0 JGADRO CSC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001302525791 1067149197 /nfs/dbraw/zinc/14/91/97/1067149197.db2.gz GFNWDBNHSCOSPK-RBUKOAKNSA-N 1 0 494.706 3.403 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302525964 1067149223 /nfs/dbraw/zinc/14/92/23/1067149223.db2.gz UANGTSQBUULRJG-ACRUOGEOSA-N 1 0 476.666 3.396 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001302526362 1067150543 /nfs/dbraw/zinc/15/05/43/1067150543.db2.gz TWNGQRWCKXZKIZ-HXUWFJFHSA-N 1 0 465.689 3.064 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001302527519 1067153504 /nfs/dbraw/zinc/15/35/04/1067153504.db2.gz YDXLHWSPDPRKQY-ACRUOGEOSA-N 1 0 460.667 3.034 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302527818 1067154855 /nfs/dbraw/zinc/15/48/55/1067154855.db2.gz ZSBYCORELLISKF-HBMCJLEFSA-N 1 0 481.707 3.085 20 0 JGADRO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)C1)[NH+]1CCCC1 ZINC001302529118 1067157864 /nfs/dbraw/zinc/15/78/64/1067157864.db2.gz RXXRCWHHOMGCQI-MRXNPFEDSA-N 1 0 452.575 3.235 20 0 JGADRO CSC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001302531414 1067160654 /nfs/dbraw/zinc/16/06/54/1067160654.db2.gz OPTHHQJBCZKMEV-UHFFFAOYSA-N 1 0 471.719 3.400 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+]1CCCC1 ZINC001302532125 1067161297 /nfs/dbraw/zinc/16/12/97/1067161297.db2.gz UJQHTAOABKEPFZ-FCHUYYIVSA-N 1 0 460.667 3.333 20 0 JGADRO CC(C)c1ccnc(N2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001302536197 1067166667 /nfs/dbraw/zinc/16/66/67/1067166667.db2.gz KQLCKSGRUVSHAT-SFHVURJKSA-N 1 0 484.599 3.337 20 0 JGADRO Cc1c(Cl)cccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001304131042 1067169179 /nfs/dbraw/zinc/16/91/79/1067169179.db2.gz UWRVATDUJRSXJF-GOSISDBHSA-N 1 0 497.109 3.455 20 0 JGADRO CS[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302542634 1067174901 /nfs/dbraw/zinc/17/49/01/1067174901.db2.gz UGXRLYXHKOKCAG-QRVBRYPASA-N 1 0 463.623 3.467 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304136656 1067175431 /nfs/dbraw/zinc/17/54/31/1067175431.db2.gz UPNIMBXSIDQAMH-CPJSRVTESA-N 1 0 486.686 3.301 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)[NH+](C)C ZINC001304136790 1067176117 /nfs/dbraw/zinc/17/61/17/1067176117.db2.gz YKEVAMQMWQIHSN-HXUWFJFHSA-N 1 0 474.613 3.158 20 0 JGADRO CS[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001302545709 1067179369 /nfs/dbraw/zinc/17/93/69/1067179369.db2.gz UBPFYAOQDJAXQO-KRWDZBQOSA-N 1 0 463.051 3.094 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCC[NH+]1CCCC1 ZINC001304142290 1067184080 /nfs/dbraw/zinc/18/40/80/1067184080.db2.gz VBEZWQAKYVMION-RTBURBONSA-N 1 0 475.037 3.486 20 0 JGADRO Cc1cc(C(=O)N2CCN(c3nnc(-c4ccccn4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c(C)o1 ZINC001304144105 1067186439 /nfs/dbraw/zinc/18/64/39/1067186439.db2.gz MFMATITXQWARQE-NRFANRHFSA-N 1 0 479.629 3.489 20 0 JGADRO Cc1cc(C(=O)N2CCN(c3nnc([C@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)CC2)c(C)o1 ZINC001304145048 1067187582 /nfs/dbraw/zinc/18/75/82/1067187582.db2.gz XLCJUIPPXGNARG-OAQYLSRUSA-N 1 0 472.634 3.280 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)no1 ZINC001304145422 1067188276 /nfs/dbraw/zinc/18/82/76/1067188276.db2.gz CKVSXDDWSYPULR-FQEVSTJZSA-N 1 0 457.623 3.217 20 0 JGADRO 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CC(C)[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC001302789676 1067380979 /nfs/dbraw/zinc/38/09/79/1067380979.db2.gz RQCFDLNMBQUGIP-DHIUTWEWSA-N 1 0 457.619 3.370 20 0 JGADRO Cc1ccc([C@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCCC2)o1 ZINC001304334372 1067381111 /nfs/dbraw/zinc/38/11/11/1067381111.db2.gz YWGXWHBPUKOVBI-RTBURBONSA-N 1 0 464.636 3.007 20 0 JGADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001304334541 1067381205 /nfs/dbraw/zinc/38/12/05/1067381205.db2.gz ZHBUOVRLRNWIQI-HLAWJBBLSA-N 1 0 486.642 3.434 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001302790207 1067381301 /nfs/dbraw/zinc/38/13/01/1067381301.db2.gz YEEUZCSBBZEQKT-LJQANCHMSA-N 1 0 460.648 3.007 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001302790206 1067381343 /nfs/dbraw/zinc/38/13/43/1067381343.db2.gz YEEUZCSBBZEQKT-IBGZPJMESA-N 1 0 460.648 3.007 20 0 JGADRO Cc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304336774 1067382618 /nfs/dbraw/zinc/38/26/18/1067382618.db2.gz PMUHNRCVDHAMKA-HDICACEKSA-N 1 0 460.648 3.020 20 0 JGADRO CC(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001302793382 1067384238 /nfs/dbraw/zinc/38/42/38/1067384238.db2.gz IOMDWIXPCXFPPR-PKTZIBPZSA-N 1 0 488.721 3.455 20 0 JGADRO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cn1 ZINC001304345730 1067388159 /nfs/dbraw/zinc/38/81/59/1067388159.db2.gz OVUSUEWULADHGE-NRFANRHFSA-N 1 0 461.614 3.269 20 0 JGADRO CSCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001302799245 1067388262 /nfs/dbraw/zinc/38/82/62/1067388262.db2.gz JYMQSGDBBHSJDO-UHFFFAOYSA-N 1 0 494.612 3.044 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC001304346299 1067388839 /nfs/dbraw/zinc/38/88/39/1067388839.db2.gz NLEDAEAZOABAER-GWJPWWOOSA-N 1 0 463.648 3.229 20 0 JGADRO CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001302800409 1067389253 /nfs/dbraw/zinc/38/92/53/1067389253.db2.gz VSLPPOLVANYPSZ-URVUXULASA-N 1 0 460.667 3.239 20 0 JGADRO CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001302800410 1067389375 /nfs/dbraw/zinc/38/93/75/1067389375.db2.gz VSLPPOLVANYPSZ-VWPQPMDRSA-N 1 0 460.667 3.239 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCCCC2)C1)[NH+](C)C ZINC001302801710 1067390611 /nfs/dbraw/zinc/39/06/11/1067390611.db2.gz AFWMADLQXADMBP-FQEVSTJZSA-N 1 0 469.634 3.441 20 0 JGADRO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)s1 ZINC001304349324 1067390781 /nfs/dbraw/zinc/39/07/81/1067390781.db2.gz FXSSKKMYHCOAFR-UYAOXDASSA-N 1 0 488.683 3.017 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001302807446 1067394975 /nfs/dbraw/zinc/39/49/75/1067394975.db2.gz GBESZOKQDQARGQ-DOTOQJQBSA-N 1 0 495.441 3.490 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)[NH+](C)C ZINC001302807662 1067395315 /nfs/dbraw/zinc/39/53/15/1067395315.db2.gz HSGSADYQAPCBJN-FDFHNCONSA-N 1 0 489.686 3.188 20 0 JGADRO Cc1ccc(Cn2c(CC(C)C)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)cn1 ZINC001304356177 1067395949 /nfs/dbraw/zinc/39/59/49/1067395949.db2.gz CEACEEXCKQTNGM-UHFFFAOYSA-N 1 0 454.541 3.319 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC[C@@H]21)[NH+](C)C ZINC001302808205 1067396126 /nfs/dbraw/zinc/39/61/26/1067396126.db2.gz NKWJQADMVLONND-SJBKTWHCSA-N 1 0 474.675 3.160 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1)[NH+](C)C ZINC001302808441 1067396484 /nfs/dbraw/zinc/39/64/84/1067396484.db2.gz PWIBHPDVUYXUNM-SLFFLAALSA-N 1 0 472.609 3.345 20 0 JGADRO Cc1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)c(=O)n1C ZINC001304356856 1067396672 /nfs/dbraw/zinc/39/66/72/1067396672.db2.gz LAMDXYBHDZSKGN-UHFFFAOYSA-N 1 0 452.578 3.030 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001302809429 1067398097 /nfs/dbraw/zinc/39/80/97/1067398097.db2.gz WJYSPQXZRHJVGG-HOJAQTOUSA-N 1 0 495.466 3.396 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001302809630 1067398467 /nfs/dbraw/zinc/39/84/67/1067398467.db2.gz YDXZZDLRPLGQCV-WOJBJXKFSA-N 1 0 470.643 3.093 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001302811180 1067399105 /nfs/dbraw/zinc/39/91/05/1067399105.db2.gz FDRSGBCJGKSOSY-RBUKOAKNSA-N 1 0 451.619 3.115 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001302811666 1067399399 /nfs/dbraw/zinc/39/93/99/1067399399.db2.gz KFVKWKAZFDFIKF-CTNGQTDRSA-N 1 0 472.682 3.034 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(OC[C@H]2CCOC2)CC1)[NH+](C)C ZINC001302811699 1067399416 /nfs/dbraw/zinc/39/94/16/1067399416.db2.gz LEMRSGRADXIVKO-SFTDATJTSA-N 1 0 456.635 3.338 20 0 JGADRO CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001302814031 1067401369 /nfs/dbraw/zinc/40/13/69/1067401369.db2.gz NZKKSYMSHCAGBU-HXUWFJFHSA-N 1 0 477.700 3.034 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001304363890 1067402549 /nfs/dbraw/zinc/40/25/49/1067402549.db2.gz BXKVYIIXDXXTCJ-SFHVURJKSA-N 1 0 480.654 3.237 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001302816298 1067403119 /nfs/dbraw/zinc/40/31/19/1067403119.db2.gz GKDCKRIRMPVQNY-LJQANCHMSA-N 1 0 458.014 3.403 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001304364947 1067403293 /nfs/dbraw/zinc/40/32/93/1067403293.db2.gz JMWCUQPZHSTXBU-XLIONFOSSA-N 1 0 480.654 3.093 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001304365429 1067404185 /nfs/dbraw/zinc/40/41/85/1067404185.db2.gz LCALILVLVYTJBP-FQEVSTJZSA-N 1 0 453.566 3.056 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)C1)[NH+](C)C ZINC001302817398 1067404738 /nfs/dbraw/zinc/40/47/38/1067404738.db2.gz KQSQMEUDSNKPLP-ZWKOTPCHSA-N 1 0 479.720 3.156 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCSC1)[NH+](C)C ZINC001302818075 1067405789 /nfs/dbraw/zinc/40/57/89/1067405789.db2.gz MELPUQJZRLXYNF-ZWKOTPCHSA-N 1 0 469.659 3.110 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCSC1)[NH+](C)C ZINC001302818074 1067405806 /nfs/dbraw/zinc/40/58/06/1067405806.db2.gz MELPUQJZRLXYNF-ROUUACIJSA-N 1 0 469.659 3.110 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1)[NH+](C)C ZINC001302818103 1067405817 /nfs/dbraw/zinc/40/58/17/1067405817.db2.gz MWCNEKSFASUQQF-BHDDXSALSA-N 1 0 460.667 3.239 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302818646 1067406668 /nfs/dbraw/zinc/40/66/68/1067406668.db2.gz NYGOKOTXNFTZCJ-MOPGFXCFSA-N 1 0 472.659 3.416 20 0 JGADRO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001304367671 1067407525 /nfs/dbraw/zinc/40/75/25/1067407525.db2.gz OZQKJLAZKIDZLB-GOSISDBHSA-N 1 0 456.610 3.299 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1)[NH+](C)C ZINC001302820581 1067408397 /nfs/dbraw/zinc/40/83/97/1067408397.db2.gz QOUHZUUNHITMBS-MQSCRBSSSA-N 1 0 457.619 3.043 20 0 JGADRO CC(C)C[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001302821182 1067409248 /nfs/dbraw/zinc/40/92/48/1067409248.db2.gz IAMBEOJAGQWBNJ-NZQKXSOJSA-N 1 0 451.681 3.002 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC001302821042 1067409287 /nfs/dbraw/zinc/40/92/87/1067409287.db2.gz WCSDRRYUFIAATA-UGKGYDQZSA-N 1 0 482.629 3.228 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001304369363 1067409321 /nfs/dbraw/zinc/40/93/21/1067409321.db2.gz PODKRDCELVQKFY-UHFFFAOYSA-N 1 0 465.621 3.374 20 0 JGADRO CC(C)C[C@H](Cn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001302822035 1067410981 /nfs/dbraw/zinc/41/09/81/1067410981.db2.gz LBFBGNINFGGUSK-TZBSWOFLSA-N 1 0 473.666 3.370 20 0 JGADRO CC(C)C[C@H](Cn1c(N2CC[C@@H]3OCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001302822582 1067411530 /nfs/dbraw/zinc/41/15/30/1067411530.db2.gz NPEADTSLCUJVLF-XOEOCAAJSA-N 1 0 463.667 3.300 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001302822888 1067411920 /nfs/dbraw/zinc/41/19/20/1067411920.db2.gz PJHMCFMOYZVPCC-HXUWFJFHSA-N 1 0 492.594 3.177 20 0 JGADRO CC(C)C[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302823784 1067412531 /nfs/dbraw/zinc/41/25/31/1067412531.db2.gz USFLAFDVXOGDAJ-FGZHOGPDSA-N 1 0 486.686 3.271 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+](C)C ZINC001302824291 1067412823 /nfs/dbraw/zinc/41/28/23/1067412823.db2.gz YVFXKEOXLXNDSX-CTNGQTDRSA-N 1 0 453.635 3.497 20 0 JGADRO CC(C)C[C@@H](Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1C(C)(C)C)[NH+](C)C ZINC001302824352 1067413374 /nfs/dbraw/zinc/41/33/74/1067413374.db2.gz ZPTDOXBISJOSKC-SFHVURJKSA-N 1 0 454.619 3.284 20 0 JGADRO CC(C)CC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001302824617 1067413818 /nfs/dbraw/zinc/41/38/18/1067413818.db2.gz PCMPDTPVDCHTDS-IBGZPJMESA-N 1 0 466.696 3.169 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+](C)C ZINC001302824772 1067413825 /nfs/dbraw/zinc/41/38/25/1067413825.db2.gz SUMPEUPJIUZXJO-UAFMIMERSA-N 1 0 471.712 3.042 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304375489 1067415748 /nfs/dbraw/zinc/41/57/48/1067415748.db2.gz MWQQZMPDVWPUPO-AOMIVXANSA-N 1 0 472.609 3.178 20 0 JGADRO CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001302827836 1067417646 /nfs/dbraw/zinc/41/76/46/1067417646.db2.gz WKTMIRIIVBNENI-AKHDSKFASA-N 1 0 464.680 3.475 20 0 JGADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H]3CCC[C@H]3[NH+]3CCC(O)CC3)cc2CC1 ZINC001302835491 1067422917 /nfs/dbraw/zinc/42/29/17/1067422917.db2.gz QTHYEIKCEDRVAP-DHIUTWEWSA-N 1 0 457.615 3.130 20 0 JGADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@H]3CCC[C@@H]3[NH+]3CCC(O)CC3)cc2CC1 ZINC001302835494 1067422925 /nfs/dbraw/zinc/42/29/25/1067422925.db2.gz QTHYEIKCEDRVAP-GOTSBHOMSA-N 1 0 457.615 3.130 20 0 JGADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@H]3CCC[C@H]3[NH+]3CCC(O)CC3)cc2CC1 ZINC001302835499 1067422998 /nfs/dbraw/zinc/42/29/98/1067422998.db2.gz QTHYEIKCEDRVAP-XZOQPEGZSA-N 1 0 457.615 3.130 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304379082 1067423280 /nfs/dbraw/zinc/42/32/80/1067423280.db2.gz UUZIMPYNBSPFML-QHCPKHFHSA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC001304378829 1067423300 /nfs/dbraw/zinc/42/33/00/1067423300.db2.gz SXPWZCDXHMKYOX-LVCYWYKZSA-N 1 0 495.672 3.215 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CO)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001304379321 1067424337 /nfs/dbraw/zinc/42/43/37/1067424337.db2.gz JACJQQSIZJWLJU-QFIPXVFZSA-N 1 0 468.646 3.476 20 0 JGADRO CC(C)Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302840101 1067426446 /nfs/dbraw/zinc/42/64/46/1067426446.db2.gz LDZQQKZLQCXFQR-UHFFFAOYSA-N 1 0 476.069 3.231 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCO[C@@H]2CCOC2)cc1C ZINC001304380002 1067426873 /nfs/dbraw/zinc/42/68/73/1067426873.db2.gz NXWXYOUHFBAHLV-HSZRJFAPSA-N 1 0 484.645 3.310 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCCc4c3cnn4C)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304380137 1067426900 /nfs/dbraw/zinc/42/69/00/1067426900.db2.gz WPOGXEFUIBLYDS-WIYYLYMNSA-N 1 0 464.618 3.345 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001302841239 1067427922 /nfs/dbraw/zinc/42/79/22/1067427922.db2.gz IANQACGZZFMQBD-UHFFFAOYSA-N 1 0 468.646 3.116 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC=CCC3)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1C ZINC001304380402 1067428486 /nfs/dbraw/zinc/42/84/86/1067428486.db2.gz ZUHSFMIXGGZXOQ-QFIPXVFZSA-N 1 0 452.603 3.150 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCC(=O)NC2CC2)cc1C ZINC001304380814 1067428747 /nfs/dbraw/zinc/42/87/47/1067428747.db2.gz WEFNXMIYCIACPL-UHFFFAOYSA-N 1 0 481.645 3.173 20 0 JGADRO CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC001302843880 1067429689 /nfs/dbraw/zinc/42/96/89/1067429689.db2.gz XRUSAPWSFCMKIT-KURKYZTESA-N 1 0 452.477 3.434 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCSC(C)C)cc1C ZINC001304381610 1067429728 /nfs/dbraw/zinc/42/97/28/1067429728.db2.gz BYNIZUSMRKVWQR-OAQYLSRUSA-N 1 0 486.686 3.447 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC(=O)NC2CC2)cc1C ZINC001304384242 1067434331 /nfs/dbraw/zinc/43/43/31/1067434331.db2.gz PSGLGMATUDUGHW-UHFFFAOYSA-N 1 0 481.645 3.127 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2cnn(-c3ccccc3)n2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302849937 1067434575 /nfs/dbraw/zinc/43/45/75/1067434575.db2.gz GEBVVPBDOIDZPX-SFTDATJTSA-N 1 0 466.634 3.193 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCNC(=O)c2ccco2)cc1C ZINC001304384728 1067435787 /nfs/dbraw/zinc/43/57/87/1067435787.db2.gz SDAWUCULMZQPJU-UHFFFAOYSA-N 1 0 493.612 3.091 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCCNC(=O)C(C)C)cc1C ZINC001304384590 1067435801 /nfs/dbraw/zinc/43/58/01/1067435801.db2.gz UOWKSSPZSXJELT-HSZRJFAPSA-N 1 0 495.672 3.374 20 0 JGADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC001302852502 1067437029 /nfs/dbraw/zinc/43/70/29/1067437029.db2.gz OUQNCOVNRJABSR-KTBRYMIGSA-N 1 0 456.608 3.469 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304385068 1067437186 /nfs/dbraw/zinc/43/71/86/1067437186.db2.gz XELSHSYMUFNDAH-CTNGQTDRSA-N 1 0 483.661 3.228 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001304384993 1067437193 /nfs/dbraw/zinc/43/71/93/1067437193.db2.gz WVCCMZCJWKBAKW-FQEVSTJZSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1C ZINC001304385652 1067438429 /nfs/dbraw/zinc/43/84/29/1067438429.db2.gz ZYNLLBQDIFWQSI-OGHKIJNOSA-N 1 0 495.672 3.359 20 0 JGADRO CC(C)Cc1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CCN1CCOC[C@@H]1C ZINC001302855764 1067439142 /nfs/dbraw/zinc/43/91/42/1067439142.db2.gz VDWFKZSWFKGZIC-UPVQGACJSA-N 1 0 454.663 3.156 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CCC3)n2CC[NH+]2CCSCC2)CCN1C(=O)OC(C)(C)C ZINC001302856414 1067439578 /nfs/dbraw/zinc/43/95/78/1067439578.db2.gz NXPMLKRVPJXUEX-QGZVFWFLSA-N 1 0 450.653 3.040 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[NH+]3CCOCC3)C2)nc1 ZINC001304386213 1067439945 /nfs/dbraw/zinc/43/99/45/1067439945.db2.gz AYTFEJCRVVTQGV-OAQYLSRUSA-N 1 0 483.661 3.247 20 0 JGADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001302859270 1067441988 /nfs/dbraw/zinc/44/19/88/1067441988.db2.gz CJDIRBFOSGZGAG-IAGOWNOFSA-N 1 0 456.557 3.157 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1F ZINC001302862534 1067445133 /nfs/dbraw/zinc/44/51/33/1067445133.db2.gz KCRDAUFPOKBMRR-PSWRPDDJSA-N 1 0 464.674 3.265 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001302862960 1067445612 /nfs/dbraw/zinc/44/56/12/1067445612.db2.gz URAMGLWUMOLARH-BRSBDYLESA-N 1 0 461.573 3.410 20 0 JGADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1F ZINC001302863116 1067445667 /nfs/dbraw/zinc/44/56/67/1067445667.db2.gz VZADKUBCFLJEGA-JOTOCRJQSA-N 1 0 458.365 3.025 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCCCO2)n1CCSC(F)(F)F ZINC001302865705 1067446656 /nfs/dbraw/zinc/44/66/56/1067446656.db2.gz DSVMDSQAPPAYEH-WBVHZDCISA-N 1 0 463.570 3.462 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001304388736 1067446995 /nfs/dbraw/zinc/44/69/95/1067446995.db2.gz REPXVRSZOOWEOW-XMMPIXPASA-N 1 0 465.627 3.161 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCCn1cc(Br)cn1 ZINC001302867430 1067448382 /nfs/dbraw/zinc/44/83/82/1067448382.db2.gz VJJJHYCTHDWCIZ-QGZVFWFLSA-N 1 0 494.482 3.314 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001302867414 1067448425 /nfs/dbraw/zinc/44/84/25/1067448425.db2.gz VAWGPXQBHUZLML-LJQANCHMSA-N 1 0 483.661 3.407 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304389920 1067449401 /nfs/dbraw/zinc/44/94/01/1067449401.db2.gz RTHIGDFMOOIFME-HXUWFJFHSA-N 1 0 464.618 3.007 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001304395032 1067456614 /nfs/dbraw/zinc/45/66/14/1067456614.db2.gz FMHOMVNHWHTKFN-NRFANRHFSA-N 1 0 456.635 3.165 20 0 JGADRO Cc1ccc(OC(F)F)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC001304395380 1067456945 /nfs/dbraw/zinc/45/69/45/1067456945.db2.gz PYMGJIOZQTXKNA-LJQANCHMSA-N 1 0 476.572 3.439 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001302873250 1067456980 /nfs/dbraw/zinc/45/69/80/1067456980.db2.gz QZBYQLFLWUEDJE-AABGKKOBSA-N 1 0 462.639 3.498 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001304396167 1067457881 /nfs/dbraw/zinc/45/78/81/1067457881.db2.gz MCDIEENLDOGCPJ-OAQYLSRUSA-N 1 0 472.703 3.442 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H]3CCSC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001304396164 1067457906 /nfs/dbraw/zinc/45/79/06/1067457906.db2.gz MCDIEENLDOGCPJ-NRFANRHFSA-N 1 0 472.703 3.442 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccn3C)n2CC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001302883061 1067464771 /nfs/dbraw/zinc/46/47/71/1067464771.db2.gz RASMADLJJHYIOA-IBGZPJMESA-N 1 0 457.623 3.215 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001304403437 1067465732 /nfs/dbraw/zinc/46/57/32/1067465732.db2.gz IWDICZIEWLPVJJ-RJGXRXQPSA-N 1 0 470.662 3.195 20 0 JGADRO CC(C)Cc1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302883872 1067465705 /nfs/dbraw/zinc/46/57/05/1067465705.db2.gz FOWGTWADWQMRLF-QHCPKHFHSA-N 1 0 455.647 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001304403754 1067466271 /nfs/dbraw/zinc/46/62/71/1067466271.db2.gz KMRCCRDPNGTCPR-KRWDZBQOSA-N 1 0 482.551 3.011 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CC(=O)NCC(F)F ZINC001302889448 1067469185 /nfs/dbraw/zinc/46/91/85/1067469185.db2.gz MVCPDLZIAJLTLG-SFHVURJKSA-N 1 0 454.610 3.339 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001302889915 1067469502 /nfs/dbraw/zinc/46/95/02/1067469502.db2.gz ZRWSZWFTKSDHHJ-AZUAARDMSA-N 1 0 484.649 3.301 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001304406026 1067469538 /nfs/dbraw/zinc/46/95/38/1067469538.db2.gz OKVYHDNHHGXLNG-SFTDATJTSA-N 1 0 456.635 3.117 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001304406981 1067471071 /nfs/dbraw/zinc/47/10/71/1067471071.db2.gz LGEKZCWSIFBWHX-ACRUOGEOSA-N 1 0 459.660 3.343 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001302892119 1067472019 /nfs/dbraw/zinc/47/20/19/1067472019.db2.gz BAZPXLGKTKNHOV-UHFFFAOYSA-N 1 0 478.682 3.329 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001304407223 1067472067 /nfs/dbraw/zinc/47/20/67/1067472067.db2.gz YYMRTCXOBYZVPR-FCHUYYIVSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001304408118 1067472917 /nfs/dbraw/zinc/47/29/17/1067472917.db2.gz DFSWPVQHDIOQDC-UHFFFAOYSA-N 1 0 454.619 3.132 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001304410429 1067476557 /nfs/dbraw/zinc/47/65/57/1067476557.db2.gz FAGHPLZKLYWSKH-UHFFFAOYSA-N 1 0 489.686 3.443 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001302896099 1067476830 /nfs/dbraw/zinc/47/68/30/1067476830.db2.gz DMHVGXIHFNBJRS-JOCHJYFZSA-N 1 0 459.660 3.134 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001302896100 1067476940 /nfs/dbraw/zinc/47/69/40/1067476940.db2.gz DMHVGXIHFNBJRS-QFIPXVFZSA-N 1 0 459.660 3.134 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001304411555 1067479565 /nfs/dbraw/zinc/47/95/65/1067479565.db2.gz TWXHTMLLSNRLAP-LJQANCHMSA-N 1 0 489.686 3.219 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[NH+]2CCCCCC2)cc1 ZINC001304411865 1067480137 /nfs/dbraw/zinc/48/01/37/1067480137.db2.gz HKBQTHKSTUMBJP-UHFFFAOYSA-N 1 0 475.659 3.055 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001304412502 1067481416 /nfs/dbraw/zinc/48/14/16/1067481416.db2.gz NETONIZUJAAUOA-SANMLTNESA-N 1 0 468.646 3.452 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304412780 1067481836 /nfs/dbraw/zinc/48/18/36/1067481836.db2.gz NLJBJIRNIOTEEY-IRLDBZIGSA-N 1 0 468.646 3.296 20 0 JGADRO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302900697 1067483529 /nfs/dbraw/zinc/48/35/29/1067483529.db2.gz CNLNGHJLJCZKJL-OAQYLSRUSA-N 1 0 462.683 3.203 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001302901505 1067485434 /nfs/dbraw/zinc/48/54/34/1067485434.db2.gz KQZGDUITHKGDGC-KDURUIRLSA-N 1 0 491.478 3.349 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C4CCCC4)n3CCSCCCO)CC2)C[C@H](C)O1 ZINC001302901799 1067486014 /nfs/dbraw/zinc/48/60/14/1067486014.db2.gz PWSFSGLSOGGTFG-BGYRXZFFSA-N 1 0 465.708 3.377 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(COc4ccc(F)cc4)n3CC(C)(C)O)CC2)C[C@H](C)O1 ZINC001302901868 1067486032 /nfs/dbraw/zinc/48/60/32/1067486032.db2.gz SCKWBISIIKWIRX-KDURUIRLSA-N 1 0 475.609 3.093 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(Cc2ccccn2)n1CCSC(F)(F)F ZINC001302901940 1067486373 /nfs/dbraw/zinc/48/63/73/1067486373.db2.gz UVNGQFOQWFNZCQ-INIZCTEOSA-N 1 0 470.565 3.206 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1Cc1nccc(C(F)F)n1 ZINC001302902079 1067486464 /nfs/dbraw/zinc/48/64/64/1067486464.db2.gz BCDDTOHOZDJVKJ-INIZCTEOSA-N 1 0 463.577 3.332 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC2(O)CCOCC2)cc1 ZINC001304415698 1067486729 /nfs/dbraw/zinc/48/67/29/1067486729.db2.gz HGQVOMKNTLYTPE-UHFFFAOYSA-N 1 0 457.619 3.018 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2COCCO2)cc1C ZINC001304416481 1067488728 /nfs/dbraw/zinc/48/87/28/1067488728.db2.gz NEDJQQGYCJELFY-QFIPXVFZSA-N 1 0 457.619 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001304416999 1067489225 /nfs/dbraw/zinc/48/92/25/1067489225.db2.gz RVZVIMHCKPHSMP-DENIHFKCSA-N 1 0 475.659 3.052 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cnccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@H](C)O1 ZINC001302905405 1067490216 /nfs/dbraw/zinc/49/02/16/1067490216.db2.gz NWBULTVLRPFDHM-YYDVJCTNSA-N 1 0 499.063 3.237 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC(=O)NCC(F)F)cc1 ZINC001304417946 1067491300 /nfs/dbraw/zinc/49/13/00/1067491300.db2.gz IPZSSWLAAWOYPP-UHFFFAOYSA-N 1 0 476.572 3.002 20 0 JGADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001302909670 1067495177 /nfs/dbraw/zinc/49/51/77/1067495177.db2.gz UXSXUIRFNUWCDI-UHFFFAOYSA-N 1 0 455.651 3.067 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001304420353 1067495843 /nfs/dbraw/zinc/49/58/43/1067495843.db2.gz UIDDJOGMCWATLW-HHHXNRCGSA-N 1 0 485.673 3.430 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CC[NH+]2CCCC2)cc1 ZINC001304420904 1067496177 /nfs/dbraw/zinc/49/61/77/1067496177.db2.gz WGURNGYYROJBSP-IBGZPJMESA-N 1 0 466.552 3.334 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001304420681 1067496184 /nfs/dbraw/zinc/49/61/84/1067496184.db2.gz OXLJWKWIZCVYDI-NJDAHSKKSA-N 1 0 457.619 3.278 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2(C(N)=O)CCCC2)cc1C ZINC001304421438 1067497117 /nfs/dbraw/zinc/49/71/17/1067497117.db2.gz ZZVHDOPUHULYRB-UHFFFAOYSA-N 1 0 468.646 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304421726 1067497669 /nfs/dbraw/zinc/49/76/69/1067497669.db2.gz GEWSQNUAWHCTLB-RTWAWAEBSA-N 1 0 459.660 3.262 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304422868 1067499150 /nfs/dbraw/zinc/49/91/50/1067499150.db2.gz PRVCGXQYVMTHPG-FQEVSTJZSA-N 1 0 459.660 3.262 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001302915583 1067499516 /nfs/dbraw/zinc/49/95/16/1067499516.db2.gz VOYNLSKJBUCINR-OYHNWAKOSA-N 1 0 484.428 3.234 20 0 JGADRO Cc1ccc(OCCCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001304423784 1067500850 /nfs/dbraw/zinc/50/08/50/1067500850.db2.gz JSVBTYSNFYJIPX-UHFFFAOYSA-N 1 0 468.646 3.098 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001302919238 1067500938 /nfs/dbraw/zinc/50/09/38/1067500938.db2.gz JOOZZKPNJBBEEI-NRFANRHFSA-N 1 0 465.708 3.392 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302919197 1067501038 /nfs/dbraw/zinc/50/10/38/1067501038.db2.gz IVDCCZCFYMIUSN-OAQYLSRUSA-N 1 0 492.709 3.453 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001302920215 1067501292 /nfs/dbraw/zinc/50/12/92/1067501292.db2.gz RMPWQRHHKZBYCN-JOCHJYFZSA-N 1 0 474.694 3.110 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001304424662 1067501778 /nfs/dbraw/zinc/50/17/78/1067501778.db2.gz ICYPKZMCWYJZTR-UHFFFAOYSA-N 1 0 454.619 3.065 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302921108 1067501929 /nfs/dbraw/zinc/50/19/29/1067501929.db2.gz VXCUNOXRKASPNZ-MZYLBHOOSA-N 1 0 452.647 3.479 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302922201 1067501948 /nfs/dbraw/zinc/50/19/48/1067501948.db2.gz BDNGCXKVNPHILD-GMAHTHKFSA-N 1 0 488.702 3.001 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001302923584 1067503459 /nfs/dbraw/zinc/50/34/59/1067503459.db2.gz SGRBGWCUFLGIKZ-QFIPXVFZSA-N 1 0 459.660 3.134 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001302923600 1067503782 /nfs/dbraw/zinc/50/37/82/1067503782.db2.gz SREBWUHWSOMIIU-FPOVZHCZSA-N 1 0 493.660 3.138 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302924086 1067504168 /nfs/dbraw/zinc/50/41/68/1067504168.db2.gz WRNYUAXHDXUENF-HBMCJLEFSA-N 1 0 462.683 3.105 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304427432 1067504309 /nfs/dbraw/zinc/50/43/09/1067504309.db2.gz DTKRGPBWYBBJHN-OYRHEFFESA-N 1 0 465.602 3.058 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+](C)C2CCCCC2)cc1 ZINC001304427414 1067504527 /nfs/dbraw/zinc/50/45/27/1067504527.db2.gz DFDIHKZWYQESMQ-QFIPXVFZSA-N 1 0 454.619 3.317 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302928736 1067505732 /nfs/dbraw/zinc/50/57/32/1067505732.db2.gz GBSGGFODSFPREP-FUDKSRODSA-N 1 0 494.750 3.428 20 0 JGADRO CC(C)Cc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC(=O)NCCc1ccccc1 ZINC001302932971 1067508179 /nfs/dbraw/zinc/50/81/79/1067508179.db2.gz IBMGKZNKZFCHIO-UHFFFAOYSA-N 1 0 452.647 3.290 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1cccnc1OCC(F)F ZINC001302937473 1067510947 /nfs/dbraw/zinc/51/09/47/1067510947.db2.gz LAYRXBXSRCDGCJ-IBGZPJMESA-N 1 0 478.588 3.112 20 0 JGADRO FC(F)(F)CO[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2CCCC2)C1 ZINC001302937742 1067510983 /nfs/dbraw/zinc/51/09/83/1067510983.db2.gz OJSJBTHWUGUKCU-LJQANCHMSA-N 1 0 452.525 3.298 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001302939562 1067513424 /nfs/dbraw/zinc/51/34/24/1067513424.db2.gz FOPYFVXUKAFMET-QHCPKHFHSA-N 1 0 461.614 3.137 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001302939928 1067513721 /nfs/dbraw/zinc/51/37/21/1067513721.db2.gz QEGOXURVLASAQC-JOCHJYFZSA-N 1 0 468.646 3.265 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[NH+]1CCSCC1 ZINC001302940162 1067514333 /nfs/dbraw/zinc/51/43/33/1067514333.db2.gz USRXBTSHNIBGSA-UHFFFAOYSA-N 1 0 477.078 3.141 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001302940141 1067514354 /nfs/dbraw/zinc/51/43/54/1067514354.db2.gz TXGXCXKHQWKCNW-NRFANRHFSA-N 1 0 459.038 3.433 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302940298 1067514603 /nfs/dbraw/zinc/51/46/03/1067514603.db2.gz YTUCMTRQNXORDH-NRFANRHFSA-N 1 0 456.635 3.400 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[NH+]2CCCCC2)cc1 ZINC001304436741 1067515363 /nfs/dbraw/zinc/51/53/63/1067515363.db2.gz AOKDKWAVFMLAMM-FQEVSTJZSA-N 1 0 456.660 3.457 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302943343 1067516407 /nfs/dbraw/zinc/51/64/07/1067516407.db2.gz DYQAEUODGICJJH-DEOSSOPVSA-N 1 0 466.674 3.488 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCSc1ccccc1 ZINC001302943654 1067516630 /nfs/dbraw/zinc/51/66/30/1067516630.db2.gz GPSNEILXHHGUJS-UHFFFAOYSA-N 1 0 470.687 3.403 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2CCCCC[NH+]2CCCC2)cc1 ZINC001304438571 1067518652 /nfs/dbraw/zinc/51/86/52/1067518652.db2.gz ZLPMWYAXYQZIIM-UHFFFAOYSA-N 1 0 456.660 3.423 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302945593 1067518791 /nfs/dbraw/zinc/51/87/91/1067518791.db2.gz JBRIBCPHXNEGOJ-NHCUHLMSSA-N 1 0 478.682 3.159 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001302946646 1067519796 /nfs/dbraw/zinc/51/97/96/1067519796.db2.gz QAUMKYYLTNPPPM-RDGATRHJSA-N 1 0 481.689 3.090 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001304443417 1067525386 /nfs/dbraw/zinc/52/53/86/1067525386.db2.gz RCJXNLCALATVOQ-JXFKEZNVSA-N 1 0 474.656 3.255 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302954592 1067526352 /nfs/dbraw/zinc/52/63/52/1067526352.db2.gz GNSNHQWUVOKTCB-RTWAWAEBSA-N 1 0 458.626 3.299 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001302956385 1067527900 /nfs/dbraw/zinc/52/79/00/1067527900.db2.gz GSJZBQAAKNDAJV-UHFFFAOYSA-N 1 0 487.737 3.264 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001302955683 1067528146 /nfs/dbraw/zinc/52/81/46/1067528146.db2.gz BJKAOLHJRWDRHM-NRFANRHFSA-N 1 0 490.693 3.425 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302957502 1067528860 /nfs/dbraw/zinc/52/88/60/1067528860.db2.gz QNPDBKSTFKAHKJ-PZJWPPBQSA-N 1 0 486.627 3.440 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC(F)(F)Br ZINC001302957641 1067529254 /nfs/dbraw/zinc/52/92/54/1067529254.db2.gz RQCXACNBOJZLHI-CQSZACIVSA-N 1 0 450.372 3.154 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001302958923 1067530407 /nfs/dbraw/zinc/53/04/07/1067530407.db2.gz KQMDYKVGPMEEEZ-UHFFFAOYSA-N 1 0 481.689 3.359 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001304452492 1067533331 /nfs/dbraw/zinc/53/33/31/1067533331.db2.gz QQMSGTKCFFVOQG-OAQYLSRUSA-N 1 0 474.675 3.030 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001304452659 1067533614 /nfs/dbraw/zinc/53/36/14/1067533614.db2.gz WGEUKTVATIHHJV-NZQKXSOJSA-N 1 0 482.654 3.355 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1ncccc1N(C)C ZINC001302964162 1067534530 /nfs/dbraw/zinc/53/45/30/1067534530.db2.gz CEYYAMJDQJQQIA-UHFFFAOYSA-N 1 0 453.660 3.412 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCCN(C)c1ccccc1F ZINC001302964440 1067534989 /nfs/dbraw/zinc/53/49/89/1067534989.db2.gz GFLZKMXCNLCVCR-NRFANRHFSA-N 1 0 458.626 3.301 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CC[NH+]2CCSCC2)n1 ZINC001304456880 1067537501 /nfs/dbraw/zinc/53/75/01/1067537501.db2.gz UTIRNRZDUJHFRR-YTTGMZPUSA-N 1 0 470.668 3.071 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001304459651 1067538991 /nfs/dbraw/zinc/53/89/91/1067538991.db2.gz KDQLDUTWOIDBHF-JOCHJYFZSA-N 1 0 469.678 3.460 20 0 JGADRO CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302971619 1067539923 /nfs/dbraw/zinc/53/99/23/1067539923.db2.gz UQPKRXCGGMUENK-IBGZPJMESA-N 1 0 457.570 3.149 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302975450 1067541756 /nfs/dbraw/zinc/54/17/56/1067541756.db2.gz KJQHJIFHUMBCIN-WPFOTENUSA-N 1 0 455.647 3.424 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H](N4CCOCC4)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304464103 1067542164 /nfs/dbraw/zinc/54/21/64/1067542164.db2.gz JAKPATVYWJJIRF-ZJSXRUAMSA-N 1 0 469.678 3.314 20 0 JGADRO Cc1cccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304464107 1067542559 /nfs/dbraw/zinc/54/25/59/1067542559.db2.gz JAXPRUKJWJLKGG-NHCUHLMSSA-N 1 0 461.614 3.226 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001302977044 1067542617 /nfs/dbraw/zinc/54/26/17/1067542617.db2.gz TXIRLFWTPSMDKF-NRFANRHFSA-N 1 0 463.573 3.444 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001302977926 1067543858 /nfs/dbraw/zinc/54/38/58/1067543858.db2.gz XCSWKKIOEJHSHB-MJGOQNOKSA-N 1 0 457.579 3.457 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)n1 ZINC001304468459 1067546809 /nfs/dbraw/zinc/54/68/09/1067546809.db2.gz DJQQTTCHCNGTAE-UHFFFAOYSA-N 1 0 474.675 3.172 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCNC(=O)C(C)(C)C)n1 ZINC001304469696 1067548826 /nfs/dbraw/zinc/54/88/26/1067548826.db2.gz SWCXBPLROQRHMF-UHFFFAOYSA-N 1 0 453.635 3.266 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001304472301 1067550524 /nfs/dbraw/zinc/55/05/24/1067550524.db2.gz MJOBVCRMFYGSEO-DENIHFKCSA-N 1 0 453.635 3.251 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2CC(=O)NC(C)C)n1 ZINC001304474476 1067552308 /nfs/dbraw/zinc/55/23/08/1067552308.db2.gz WXHPKTSNHUAAJV-OAQYLSRUSA-N 1 0 453.635 3.266 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(OCC[NH+]4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304474835 1067553061 /nfs/dbraw/zinc/55/30/61/1067553061.db2.gz MALSDTUPYMLNOV-RUZDIDTESA-N 1 0 456.635 3.137 20 0 JGADRO CC(C)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001302992231 1067553905 /nfs/dbraw/zinc/55/39/05/1067553905.db2.gz WHVRSXYKAWLBNX-NFBKMPQASA-N 1 0 488.702 3.405 20 0 JGADRO CC(C)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001302992233 1067553946 /nfs/dbraw/zinc/55/39/46/1067553946.db2.gz WHVRSXYKAWLBNX-NZQKXSOJSA-N 1 0 488.702 3.405 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCc2nccc(C(F)(F)F)n2)n1 ZINC001304476586 1067554546 /nfs/dbraw/zinc/55/45/46/1067554546.db2.gz IBJVAVZYPMZGBD-UHFFFAOYSA-N 1 0 460.508 3.230 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001304477813 1067556005 /nfs/dbraw/zinc/55/60/05/1067556005.db2.gz DEZMWFVFIBYBSZ-APWZRJJASA-N 1 0 451.541 3.062 20 0 JGADRO CC(C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001302996575 1067556102 /nfs/dbraw/zinc/55/61/02/1067556102.db2.gz YIEMIYGNBRGMQM-FQRUVTKNSA-N 1 0 490.693 3.332 20 0 JGADRO CC(C)C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001302996579 1067556152 /nfs/dbraw/zinc/55/61/52/1067556152.db2.gz YIEMIYGNBRGMQM-IBVKSMDESA-N 1 0 490.693 3.332 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001302996933 1067556480 /nfs/dbraw/zinc/55/64/80/1067556480.db2.gz IKUDFXWFDQDFGC-IBGZPJMESA-N 1 0 451.623 3.381 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001304478590 1067557449 /nfs/dbraw/zinc/55/74/49/1067557449.db2.gz WVVAKXQXGWCIIP-NRFANRHFSA-N 1 0 467.643 3.318 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(c4nccnc4C)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304479429 1067558697 /nfs/dbraw/zinc/55/86/97/1067558697.db2.gz XQTFKTJOHPGYNU-UHFFFAOYSA-N 1 0 463.634 3.192 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001304480041 1067559663 /nfs/dbraw/zinc/55/96/63/1067559663.db2.gz ICGSTLWKRDDUPG-FPOVZHCZSA-N 1 0 499.660 3.110 20 0 JGADRO Cc1noc(C)c1CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304480553 1067559966 /nfs/dbraw/zinc/55/99/66/1067559966.db2.gz ORIGCQNLARYRDG-UHFFFAOYSA-N 1 0 453.591 3.043 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCCN(C)C(=O)OC(C)(C)C)n1 ZINC001304480947 1067560669 /nfs/dbraw/zinc/56/06/69/1067560669.db2.gz WDIBOONFZLGFRP-NRFANRHFSA-N 1 0 499.660 3.064 20 0 JGADRO Cc1cccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001304484214 1067563636 /nfs/dbraw/zinc/56/36/36/1067563636.db2.gz UJVDZLCFZSVWHE-WFXMLNOXSA-N 1 0 460.648 3.021 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001304484731 1067563703 /nfs/dbraw/zinc/56/37/03/1067563703.db2.gz FRBNYUPHQISCAQ-DEOSSOPVSA-N 1 0 464.614 3.498 20 0 JGADRO Cc1cccc(-c2nnc(N3CCSCC3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)n1 ZINC001304485909 1067564488 /nfs/dbraw/zinc/56/44/88/1067564488.db2.gz SABJWBGBXCAJEH-UHFFFAOYSA-N 1 0 489.690 3.438 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001303010875 1067565441 /nfs/dbraw/zinc/56/54/41/1067565441.db2.gz YNNNNXNPZQZOSG-YADARESESA-N 1 0 477.053 3.339 20 0 JGADRO Cc1cccc(CC2(O)CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC001304487199 1067565656 /nfs/dbraw/zinc/56/56/56/1067565656.db2.gz KXMUFDHWKCPJKZ-UHFFFAOYSA-N 1 0 496.700 3.421 20 0 JGADRO Cc1cccc(CCn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC001304490786 1067568944 /nfs/dbraw/zinc/56/89/44/1067568944.db2.gz FGMHQRVYDJFAOX-UHFFFAOYSA-N 1 0 491.562 3.321 20 0 JGADRO Cc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001304493632 1067570656 /nfs/dbraw/zinc/57/06/56/1067570656.db2.gz HODRDRWKBQCDQV-UHFFFAOYSA-N 1 0 467.643 3.136 20 0 JGADRO Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC001304495280 1067571483 /nfs/dbraw/zinc/57/14/83/1067571483.db2.gz AOXPZJBTWMOIHE-GIWBLDEGSA-N 1 0 488.702 3.336 20 0 JGADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCOCCCO)CC2)c1 ZINC001304498346 1067573588 /nfs/dbraw/zinc/57/35/88/1067573588.db2.gz MSCMCNHGMURPSK-DNQXCXABSA-N 1 0 485.673 3.226 20 0 JGADRO NC(=O)[C@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CCC[NH+]2CCCC2)C1 ZINC001303022067 1067573918 /nfs/dbraw/zinc/57/39/18/1067573918.db2.gz IBURUGAEJQRQSK-HNNXBMFYSA-N 1 0 479.398 3.034 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001304500035 1067574792 /nfs/dbraw/zinc/57/47/92/1067574792.db2.gz HAERFBOYHQXXLT-HXUWFJFHSA-N 1 0 477.613 3.177 20 0 JGADRO NC(=O)C[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCCC2)C1 ZINC001303037315 1067583160 /nfs/dbraw/zinc/58/31/60/1067583160.db2.gz PPRULJFEZPHPHG-QGZVFWFLSA-N 1 0 462.545 3.124 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CCS(C)(=O)=O)c1 ZINC001304509074 1067583273 /nfs/dbraw/zinc/58/32/73/1067583273.db2.gz CFGVXXZTZPQGGA-JOCHJYFZSA-N 1 0 489.686 3.158 20 0 JGADRO CC(C)CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001303038925 1067584235 /nfs/dbraw/zinc/58/42/35/1067584235.db2.gz GFIZYOCEHXYHMW-UHFFFAOYSA-N 1 0 468.646 3.001 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001304510732 1067585594 /nfs/dbraw/zinc/58/55/94/1067585594.db2.gz AVUJICXBAWXCNY-ISJBWFOZSA-N 1 0 468.646 3.343 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001303041128 1067585844 /nfs/dbraw/zinc/58/58/44/1067585844.db2.gz MLMKFGCJAZGPQE-KRWDZBQOSA-N 1 0 453.429 3.365 20 0 JGADRO NC(=O)CCC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+]2CCSCC2)CC1 ZINC001303043566 1067586813 /nfs/dbraw/zinc/58/68/13/1067586813.db2.gz KTLOUHBIADFGFC-UHFFFAOYSA-N 1 0 494.612 3.077 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001304511324 1067586854 /nfs/dbraw/zinc/58/68/54/1067586854.db2.gz NFTZYFKDEWEYQU-YPAWHYETSA-N 1 0 457.619 3.280 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001304511452 1067587186 /nfs/dbraw/zinc/58/71/86/1067587186.db2.gz CLOXNVRHRHSRDH-NFBKMPQASA-N 1 0 468.646 3.199 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001304511455 1067587192 /nfs/dbraw/zinc/58/71/92/1067587192.db2.gz CLOXNVRHRHSRDH-OFNKIYASSA-N 1 0 468.646 3.199 20 0 JGADRO Cc1noc([C@@H](C)N2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001304511706 1067587973 /nfs/dbraw/zinc/58/79/73/1067587973.db2.gz SMJDIRNUTUGULG-HXUWFJFHSA-N 1 0 496.660 3.328 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCCCCS(C)(=O)=O)c1 ZINC001304511881 1067588292 /nfs/dbraw/zinc/58/82/92/1067588292.db2.gz JEWHWICRPSHCCA-OAQYLSRUSA-N 1 0 475.659 3.055 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CC(=O)NC(C)C)c1 ZINC001304512181 1067588556 /nfs/dbraw/zinc/58/85/56/1067588556.db2.gz MGIUENBWSMSLMO-UHFFFAOYSA-N 1 0 468.646 3.392 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001304512287 1067588865 /nfs/dbraw/zinc/58/88/65/1067588865.db2.gz HNDXKYSMLAFAFQ-JOCHJYFZSA-N 1 0 457.619 3.138 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001304512288 1067588933 /nfs/dbraw/zinc/58/89/33/1067588933.db2.gz HNDXKYSMLAFAFQ-QFIPXVFZSA-N 1 0 457.619 3.138 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304513118 1067590379 /nfs/dbraw/zinc/59/03/79/1067590379.db2.gz PEMKOXRTLHKXOE-SVFBPWRDSA-N 1 0 497.562 3.432 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303050175 1067590818 /nfs/dbraw/zinc/59/08/18/1067590818.db2.gz WOARSKYLHSWXDP-BGYRXZFFSA-N 1 0 481.645 3.174 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001304515132 1067591982 /nfs/dbraw/zinc/59/19/82/1067591982.db2.gz OCUWJESBDZVHMJ-NHCUHLMSSA-N 1 0 473.687 3.491 20 0 JGADRO Cc1ccccc1C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001304522089 1067597194 /nfs/dbraw/zinc/59/71/94/1067597194.db2.gz NSWYFHJAVDIMNK-HXUWFJFHSA-N 1 0 488.702 3.239 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CCc2nccs2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304526757 1067599372 /nfs/dbraw/zinc/59/93/72/1067599372.db2.gz SVBZLAGUJQUJFJ-NRFANRHFSA-N 1 0 481.670 3.332 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1CC1([NH+](C)C)CCOCC1 ZINC001304527223 1067599744 /nfs/dbraw/zinc/59/97/44/1067599744.db2.gz XXQTVJOWUYKCID-UHFFFAOYSA-N 1 0 457.619 3.200 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC1([NH+](C)C)CCC1 ZINC001304530643 1067602235 /nfs/dbraw/zinc/60/22/35/1067602235.db2.gz YCUKSUAJIRPXAD-KRWDZBQOSA-N 1 0 464.536 3.243 20 0 JGADRO CC(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001303069827 1067604561 /nfs/dbraw/zinc/60/45/61/1067604561.db2.gz UTSOHVMUTNKRQV-TZIWHRDSSA-N 1 0 462.664 3.035 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001304534998 1067605330 /nfs/dbraw/zinc/60/53/30/1067605330.db2.gz LCONEYFWYQOQSI-UHFFFAOYSA-N 1 0 451.619 3.146 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001304535268 1067605771 /nfs/dbraw/zinc/60/57/71/1067605771.db2.gz OUFZBEAICORJLG-OAQYLSRUSA-N 1 0 480.579 3.437 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304535241 1067605815 /nfs/dbraw/zinc/60/58/15/1067605815.db2.gz NCNBLOSRTBGCFC-NBGIEHNGSA-N 1 0 488.702 3.236 20 0 JGADRO O=C(Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)NCC(F)F ZINC001303071960 1067606586 /nfs/dbraw/zinc/60/65/86/1067606586.db2.gz WIJWLYUQAPCRJE-QGZVFWFLSA-N 1 0 497.388 3.154 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304536759 1067607759 /nfs/dbraw/zinc/60/77/59/1067607759.db2.gz HJCCDTHPFLDCOY-UHFFFAOYSA-N 1 0 469.678 3.019 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001304538197 1067609741 /nfs/dbraw/zinc/60/97/41/1067609741.db2.gz FUDQXEBKIWDAHB-IRLDBZIGSA-N 1 0 484.645 3.324 20 0 JGADRO O=C(Nc1ccccn1)c1nnc(N2CCC(C(F)(F)F)CC2)n1CC[NH+]1CCCCC1 ZINC001303077750 1067609984 /nfs/dbraw/zinc/60/99/84/1067609984.db2.gz GTUCBTZSCMISIU-UHFFFAOYSA-N 1 0 451.497 3.190 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001304541080 1067611785 /nfs/dbraw/zinc/61/17/85/1067611785.db2.gz ZRAZCGYBPJPMHR-SFTDATJTSA-N 1 0 484.645 3.204 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001304541824 1067612622 /nfs/dbraw/zinc/61/26/22/1067612622.db2.gz GLGVURJTGDJCNQ-GOTSBHOMSA-N 1 0 496.700 3.489 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC(N)=O)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001304542891 1067613664 /nfs/dbraw/zinc/61/36/64/1067613664.db2.gz MSUAKLCYJOQGCE-FQEVSTJZSA-N 1 0 461.614 3.189 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC(N)=O)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001304542892 1067613698 /nfs/dbraw/zinc/61/36/98/1067613698.db2.gz MSUAKLCYJOQGCE-HXUWFJFHSA-N 1 0 461.614 3.189 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304543944 1067614431 /nfs/dbraw/zinc/61/44/31/1067614431.db2.gz RTRVJIQFXOEAQZ-UHFFFAOYSA-N 1 0 475.641 3.128 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CC(F)(F)F)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304547323 1067616419 /nfs/dbraw/zinc/61/64/19/1067616419.db2.gz ULQIONIOPZSONF-UHFFFAOYSA-N 1 0 452.569 3.449 20 0 JGADRO O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCCCC2)C1 ZINC001303085601 1067618514 /nfs/dbraw/zinc/61/85/14/1067618514.db2.gz CLKDXZVQEPPOJG-INIZCTEOSA-N 1 0 468.499 3.075 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304549918 1067619294 /nfs/dbraw/zinc/61/92/94/1067619294.db2.gz SHXCKVNLKKTBLV-QFIPXVFZSA-N 1 0 468.690 3.455 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001304550391 1067619660 /nfs/dbraw/zinc/61/96/60/1067619660.db2.gz IWBUTTOYOJLVER-ATIYNZHBSA-N 1 0 452.647 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001304550392 1067619675 /nfs/dbraw/zinc/61/96/75/1067619675.db2.gz IWBUTTOYOJLVER-BKMJKUGQSA-N 1 0 452.647 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001304550529 1067619698 /nfs/dbraw/zinc/61/96/98/1067619698.db2.gz XTMUOCBKZVLYPB-AZUAARDMSA-N 1 0 452.628 3.209 20 0 JGADRO Cc1ccccc1Cc1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC[NH+]1CCCCCC1 ZINC001304550779 1067620171 /nfs/dbraw/zinc/62/01/71/1067620171.db2.gz ZJZYLLOSYCTLRS-UHFFFAOYSA-N 1 0 459.660 3.067 20 0 JGADRO O=C(NCc1ccc(Cl)cc1)c1nnc(N2CCC=C(Br)C2)n1CC[NH+]1CCCC1 ZINC001303087853 1067621777 /nfs/dbraw/zinc/62/17/77/1067621777.db2.gz KUFAZVFNJCPSRF-UHFFFAOYSA-N 1 0 493.837 3.446 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001304556936 1067625706 /nfs/dbraw/zinc/62/57/06/1067625706.db2.gz OPVQEKNFVQAXSD-QFIPXVFZSA-N 1 0 452.647 3.404 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001303090171 1067626668 /nfs/dbraw/zinc/62/66/68/1067626668.db2.gz OAQQHERSHNCLSS-UHFFFAOYSA-N 1 0 484.645 3.393 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C)CC2)CC1 ZINC001303090229 1067626682 /nfs/dbraw/zinc/62/66/82/1067626682.db2.gz PMCNNYUMZABJBT-LJQANCHMSA-N 1 0 468.712 3.273 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3sccc3C2)CC1 ZINC001303090566 1067627067 /nfs/dbraw/zinc/62/70/67/1067627067.db2.gz XOTITJOREPRPCY-GOSISDBHSA-N 1 0 494.731 3.271 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001303090579 1067627070 /nfs/dbraw/zinc/62/70/70/1067627070.db2.gz XVPVTWHYCUVVCX-JOCHJYFZSA-N 1 0 460.667 3.133 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCOC3(CCCC3)C2)CC1 ZINC001303090473 1067627082 /nfs/dbraw/zinc/62/70/82/1067627082.db2.gz UUVGWUZSSUGOBK-UHFFFAOYSA-N 1 0 460.667 3.324 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccccn3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001303090828 1067627414 /nfs/dbraw/zinc/62/74/14/1067627414.db2.gz FEMDHSILZCGVKN-UHFFFAOYSA-N 1 0 475.632 3.409 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001303091101 1067627849 /nfs/dbraw/zinc/62/78/49/1067627849.db2.gz MIOGQFGUMUMARQ-UHFFFAOYSA-N 1 0 488.702 3.035 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001303091532 1067628626 /nfs/dbraw/zinc/62/86/26/1067628626.db2.gz UZLFBELGSHLUPL-FQEVSTJZSA-N 1 0 486.636 3.421 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCN(C)CC(F)(F)F ZINC001304559388 1067628896 /nfs/dbraw/zinc/62/88/96/1067628896.db2.gz KXBXDQOJFWIYOX-HXUWFJFHSA-N 1 0 494.606 3.361 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cscn2)CC1 ZINC001303091971 1067629267 /nfs/dbraw/zinc/62/92/67/1067629267.db2.gz XYMCEJSQENFTNO-UHFFFAOYSA-N 1 0 459.664 3.252 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[S@@](=O)C(C)(C)C ZINC001304560524 1067630126 /nfs/dbraw/zinc/63/01/26/1067630126.db2.gz SVLJBDMQDSWTBM-JTMIDMFHSA-N 1 0 487.714 3.414 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCC(=O)NC(C)(C)C ZINC001304562517 1067633038 /nfs/dbraw/zinc/63/30/38/1067633038.db2.gz WVBVZLLYGWDQEZ-UHFFFAOYSA-N 1 0 482.673 3.031 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(F)(F)F)CC1 ZINC001304571275 1067639512 /nfs/dbraw/zinc/63/95/12/1067639512.db2.gz WNNDJOMORLGBPP-GOSISDBHSA-N 1 0 450.509 3.202 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCN2CCOCC2(C)C)CC1 ZINC001304571356 1067639543 /nfs/dbraw/zinc/63/95/43/1067639543.db2.gz ZJOANCYNGLGLAH-UHFFFAOYSA-N 1 0 454.663 3.317 20 0 JGADRO CC(C)CCOC1CCN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001303102096 1067640573 /nfs/dbraw/zinc/64/05/73/1067640573.db2.gz PHXLZMIZKGSNQN-NRFANRHFSA-N 1 0 463.667 3.050 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001303102282 1067640870 /nfs/dbraw/zinc/64/08/70/1067640870.db2.gz PSIMQROVGVLLGI-DENIHFKCSA-N 1 0 477.675 3.334 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001303102289 1067640917 /nfs/dbraw/zinc/64/09/17/1067640917.db2.gz PSIMQROVGVLLGI-UGKGYDQZSA-N 1 0 477.675 3.334 20 0 JGADRO Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001304572439 1067641016 /nfs/dbraw/zinc/64/10/16/1067641016.db2.gz GXJYCHKYIOWVGF-YADHBBJMSA-N 1 0 482.673 3.385 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001303103159 1067641688 /nfs/dbraw/zinc/64/16/88/1067641688.db2.gz UPKUFIBEGMKSCY-OAQYLSRUSA-N 1 0 468.646 3.380 20 0 JGADRO O=C1CCCN1Cc1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CCCC(F)(F)F ZINC001303106004 1067643637 /nfs/dbraw/zinc/64/36/37/1067643637.db2.gz MMWTXUUTORSNKB-UHFFFAOYSA-N 1 0 464.536 3.108 20 0 JGADRO Cc1ccccc1OCCCN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001304575187 1067643867 /nfs/dbraw/zinc/64/38/67/1067643867.db2.gz WSLPQUQSAMTTKF-NRFANRHFSA-N 1 0 454.619 3.212 20 0 JGADRO CC(C)CCOC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001303108915 1067646453 /nfs/dbraw/zinc/64/64/53/1067646453.db2.gz AZUCHPAHLVODDX-GMAHTHKFSA-N 1 0 463.667 3.170 20 0 JGADRO 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CC(C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001303129466 1067671702 /nfs/dbraw/zinc/67/17/02/1067671702.db2.gz PXMLXCABJJPNKF-QFIPXVFZSA-N 1 0 477.613 3.023 20 0 JGADRO CC(C)CN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCC[NH+](C)C ZINC001303137334 1067679127 /nfs/dbraw/zinc/67/91/27/1067679127.db2.gz BVYBWYLKOCEBMW-LJQANCHMSA-N 1 0 452.644 3.063 20 0 JGADRO Oc1ccc(CCn2c(C3CC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC001303143251 1067681844 /nfs/dbraw/zinc/68/18/44/1067681844.db2.gz HYXVDCCLSFLIBL-UHFFFAOYSA-N 1 0 453.509 3.195 20 0 JGADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCSCC1 ZINC001303143855 1067682348 /nfs/dbraw/zinc/68/23/48/1067682348.db2.gz JTZHDZNJSAGZGQ-HXUWFJFHSA-N 1 0 450.052 3.312 20 0 JGADRO Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCCC3)C2)n1 ZINC001304619458 1067687933 /nfs/dbraw/zinc/68/79/33/1067687933.db2.gz NTSLWPSUDXOZNR-IEBWSBKVSA-N 1 0 459.664 3.297 20 0 JGADRO Cc1csc([C@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3C[C@@H](C)[NH+](C)C)CCO2)n1 ZINC001304620345 1067688791 /nfs/dbraw/zinc/68/87/91/1067688791.db2.gz DQVUOPKLBKOPPO-CZUORRHYSA-N 1 0 480.436 3.329 20 0 JGADRO OCCC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Br)nnc1N1CCC(F)(F)C1 ZINC001303152662 1067689096 /nfs/dbraw/zinc/68/90/96/1067689096.db2.gz AQFKBUJMNVZSIU-OAHLLOKOSA-N 1 0 470.362 3.400 20 0 JGADRO OCCC[N@@H+]1CCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001303152822 1067689564 /nfs/dbraw/zinc/68/95/64/1067689564.db2.gz GHRRYAWWYUHUPW-RTBURBONSA-N 1 0 459.557 3.330 20 0 JGADRO OCCCOCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001303153170 1067690523 /nfs/dbraw/zinc/69/05/23/1067690523.db2.gz RSENAJWHGKFXIX-GOSISDBHSA-N 1 0 451.974 3.201 20 0 JGADRO OCCN(Cc1cc(Br)ccc1F)c1nnc(C2CC2)n1CC[NH+]1CCSCC1 ZINC001303159214 1067695124 /nfs/dbraw/zinc/69/51/24/1067695124.db2.gz FNQRTNHOASQCPW-UHFFFAOYSA-N 1 0 484.439 3.105 20 0 JGADRO Cc1csc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC001304626203 1067696963 /nfs/dbraw/zinc/69/69/63/1067696963.db2.gz PGMYMVVQLXWYMU-UHFFFAOYSA-N 1 0 496.681 3.428 20 0 JGADRO Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC001304630467 1067701022 /nfs/dbraw/zinc/70/10/22/1067701022.db2.gz VFECUMWTXXWWON-FQEVSTJZSA-N 1 0 467.643 3.188 20 0 JGADRO CC(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001303167896 1067703346 /nfs/dbraw/zinc/70/33/46/1067703346.db2.gz OEZCSPOIAAMGBT-UHFFFAOYSA-N 1 0 458.676 3.405 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCN(C)C(=O)C2)C1 ZINC001303172397 1067705560 /nfs/dbraw/zinc/70/55/60/1067705560.db2.gz FWBZCHIHWVQHKG-SFHVURJKSA-N 1 0 489.462 3.354 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001303172406 1067705590 /nfs/dbraw/zinc/70/55/90/1067705590.db2.gz GCHIKLKCMWSNRZ-MSOLQXFVSA-N 1 0 460.026 3.028 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC001303172507 1067705974 /nfs/dbraw/zinc/70/59/74/1067705974.db2.gz IBGWJAORKKBLMW-HXUWFJFHSA-N 1 0 483.661 3.311 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCc3ccccc32)C1 ZINC001303173269 1067707023 /nfs/dbraw/zinc/70/70/23/1067707023.db2.gz QVLKSLMUUYQRSN-QTEQDKRBSA-N 1 0 488.702 3.380 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001303173226 1067707151 /nfs/dbraw/zinc/70/71/51/1067707151.db2.gz PZYKAQTXFAELCO-MSOLQXFVSA-N 1 0 495.550 3.061 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@H](C)C2)C1 ZINC001303173545 1067707585 /nfs/dbraw/zinc/70/75/85/1067707585.db2.gz RZNDTWABFRWKNR-SFTDATJTSA-N 1 0 488.702 3.410 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@H](C)C2)C1 ZINC001303173542 1067707637 /nfs/dbraw/zinc/70/76/37/1067707637.db2.gz RZNDTWABFRWKNR-LEWJYISDSA-N 1 0 488.702 3.410 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001303174621 1067708086 /nfs/dbraw/zinc/70/80/86/1067708086.db2.gz ZKJKMIJKQRCIOL-NRFANRHFSA-N 1 0 467.662 3.403 20 0 JGADRO CC(C)CN1C[C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(OCC[NH+](C)C)c3)CCN2C1=O ZINC001303174956 1067708527 /nfs/dbraw/zinc/70/85/27/1067708527.db2.gz DLRSHRCMEZFAPP-JOCHJYFZSA-N 1 0 497.688 3.147 20 0 JGADRO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]([NH2+]C4CCOCC4)C3)c2)cc1 ZINC001303175520 1067708852 /nfs/dbraw/zinc/70/88/52/1067708852.db2.gz COWAZFSOGFEQRY-JOCHJYFZSA-N 1 0 457.596 3.169 20 0 JGADRO CC(C)CN1C[C@@H]2CN(c3nnc(CCc4ccccc4)n3CC(C)(C)C[NH+](C)C)CCN2C1=O ZINC001303175190 1067708944 /nfs/dbraw/zinc/70/89/44/1067708944.db2.gz IRDNKXMGQIBUBC-QHCPKHFHSA-N 1 0 481.689 3.233 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)c2ccccc2)CC1 ZINC001303177374 1067710170 /nfs/dbraw/zinc/71/01/70/1067710170.db2.gz CKOWEGILEPWAAJ-UHFFFAOYSA-N 1 0 469.540 3.495 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Br)s2)CC1 ZINC001303177513 1067710188 /nfs/dbraw/zinc/71/01/88/1067710188.db2.gz DATBNTXZACALHO-UHFFFAOYSA-N 1 0 495.491 3.359 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303178837 1067712349 /nfs/dbraw/zinc/71/23/49/1067712349.db2.gz OFJAOZGGBCMUQH-GGAORHGYSA-N 1 0 488.702 3.035 20 0 JGADRO Cc1nc([C@H]2CN(c3nnc(-c4cc(F)ccc4Br)n3C[C@H](C)[NH+](C)C)CCO2)no1 ZINC001304644978 1067713726 /nfs/dbraw/zinc/71/37/26/1067713726.db2.gz BBQPCAAMBKGWCB-YVEFUNNKSA-N 1 0 494.369 3.066 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303182884 1067714994 /nfs/dbraw/zinc/71/49/94/1067714994.db2.gz FXVJWRNFKXEUMC-IBGZPJMESA-N 1 0 489.462 3.400 20 0 JGADRO CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C[NH+](C)C)[C@@H](C)C1=O ZINC001303183255 1067715837 /nfs/dbraw/zinc/71/58/37/1067715837.db2.gz BMLLDBMTWSGENL-INIZCTEOSA-N 1 0 494.482 3.317 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001303183648 1067716559 /nfs/dbraw/zinc/71/65/59/1067716559.db2.gz FSDCMTKJRRYYIM-SVBPBHIXSA-N 1 0 485.673 3.395 20 0 JGADRO Cc1nc(Cc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2CC[NH+]2CCC(C)CC2)cs1 ZINC001304648825 1067716817 /nfs/dbraw/zinc/71/68/17/1067716817.db2.gz QELXSGQEIIXDFS-UHFFFAOYSA-N 1 0 489.734 3.160 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(F)(F)Br)CC1 ZINC001303184417 1067717648 /nfs/dbraw/zinc/71/76/48/1067717648.db2.gz MBHVSYYOBAMOBC-SFHVURJKSA-N 1 0 480.398 3.084 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CC1 ZINC001303184481 1067717956 /nfs/dbraw/zinc/71/79/56/1067717956.db2.gz XEAWHWVLRCGMDP-LJQANCHMSA-N 1 0 484.576 3.245 20 0 JGADRO Cc1nc(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001304650307 1067718177 /nfs/dbraw/zinc/71/81/77/1067718177.db2.gz JBCZXICWKIFAEQ-CALCHBBNSA-N 1 0 486.690 3.120 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(=O)N(C)C)CC1 ZINC001303185102 1067719250 /nfs/dbraw/zinc/71/92/50/1067719250.db2.gz TTXDXBSVIAWBNA-UHFFFAOYSA-N 1 0 452.647 3.395 20 0 JGADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2C[C@@H](C)C[NH+]2CCCC2)cs1 ZINC001304652246 1067720148 /nfs/dbraw/zinc/72/01/48/1067720148.db2.gz IHYIHWULVLDLEY-KRWDZBQOSA-N 1 0 467.643 3.101 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CC2)CC1 ZINC001303185603 1067720977 /nfs/dbraw/zinc/72/09/77/1067720977.db2.gz IPFMLBXCUJVIQX-UHFFFAOYSA-N 1 0 452.372 3.150 20 0 JGADRO Cc1nc(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001304653179 1067721112 /nfs/dbraw/zinc/72/11/12/1067721112.db2.gz QLGUQQLQGANXCW-HXUWFJFHSA-N 1 0 481.670 3.490 20 0 JGADRO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[NH+]2CCOCC2)[C@@H](C)C1=O ZINC001303185886 1067721665 /nfs/dbraw/zinc/72/16/65/1067721665.db2.gz PJQUYANZCGVWKX-FQEVSTJZSA-N 1 0 489.064 3.404 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303188496 1067722781 /nfs/dbraw/zinc/72/27/81/1067722781.db2.gz FJUGVINZQIYHIE-FQEVSTJZSA-N 1 0 484.649 3.160 20 0 JGADRO CC(C)CN1CCN(c2nnc(-c3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1=O ZINC001303188724 1067723135 /nfs/dbraw/zinc/72/31/35/1067723135.db2.gz LKIMMWRRJIZQGQ-NBGIEHNGSA-N 1 0 453.635 3.155 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN(C)c2ccccc2)CC1 ZINC001303189391 1067723868 /nfs/dbraw/zinc/72/38/68/1067723868.db2.gz OERWYJKIIWJWDH-UHFFFAOYSA-N 1 0 450.635 3.373 20 0 JGADRO CC(C)CN1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001303189944 1067724060 /nfs/dbraw/zinc/72/40/60/1067724060.db2.gz WUOWETGLSOFMQL-OYRHEFFESA-N 1 0 453.635 3.013 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001303190125 1067724585 /nfs/dbraw/zinc/72/45/85/1067724585.db2.gz YNBHNWJUPDXKJA-UHFFFAOYSA-N 1 0 459.639 3.365 20 0 JGADRO 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CC(C)CO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001303230515 1067765091 /nfs/dbraw/zinc/76/50/91/1067765091.db2.gz QAWSDVICPIVKEQ-RBUKOAKNSA-N 1 0 460.648 3.016 20 0 JGADRO CC(C)CSCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001303252000 1067777952 /nfs/dbraw/zinc/77/79/52/1067777952.db2.gz NSHNOPPFFIMWMY-NRFANRHFSA-N 1 0 451.681 3.458 20 0 JGADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCCCC2)CC1 ZINC001303252975 1067778821 /nfs/dbraw/zinc/77/88/21/1067778821.db2.gz ZQZYNYYVZYWSFK-UHFFFAOYSA-N 1 0 453.635 3.299 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001303254694 1067780024 /nfs/dbraw/zinc/78/00/24/1067780024.db2.gz GVNZQGMRGWOQMO-DEOSSOPVSA-N 1 0 474.675 3.040 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1C(C)(C)C ZINC001303255063 1067780728 /nfs/dbraw/zinc/78/07/28/1067780728.db2.gz UKSHVEDHTGYZDA-RTWAWAEBSA-N 1 0 454.619 3.399 20 0 JGADRO 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Cc1nccnc1N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304715152 1067786432 /nfs/dbraw/zinc/78/64/32/1067786432.db2.gz WKIBWODMOJVHBR-UHFFFAOYSA-N 1 0 470.025 3.006 20 0 JGADRO Cc1nccnc1CCn1c(CC(C)C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001304715488 1067786760 /nfs/dbraw/zinc/78/67/60/1067786760.db2.gz SELRLWUMJPWNAU-GBXCKJPGSA-N 1 0 465.650 3.071 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cc3ccccc3o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001303261440 1067787449 /nfs/dbraw/zinc/78/74/49/1067787449.db2.gz IENUIFROMNHVFV-UHFFFAOYSA-N 1 0 488.658 3.282 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001303261424 1067787577 /nfs/dbraw/zinc/78/75/77/1067787577.db2.gz HVHRBVGSJRWPIV-OAHLLOKOSA-N 1 0 496.479 3.055 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001303261687 1067788384 /nfs/dbraw/zinc/78/83/84/1067788384.db2.gz RUPWCGUQORMHMM-FQEVSTJZSA-N 1 0 451.413 3.383 20 0 JGADRO 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CC(C)[N@H+](C)CCCn1c(COc2ccccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001303268758 1067797021 /nfs/dbraw/zinc/79/70/21/1067797021.db2.gz LZOFWSSXSPYMTR-VWLOTQADSA-N 1 0 485.608 3.212 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001303269278 1067798287 /nfs/dbraw/zinc/79/82/87/1067798287.db2.gz WOCABPZJMQRSQV-WIYYLYMNSA-N 1 0 463.648 3.461 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C3CCC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001304726568 1067799016 /nfs/dbraw/zinc/79/90/16/1067799016.db2.gz WZXUIXWOOXXBOB-UHFFFAOYSA-N 1 0 456.683 3.337 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCCCC2)C1 ZINC001303271008 1067799490 /nfs/dbraw/zinc/79/94/90/1067799490.db2.gz OQSMSHAKYSKZQU-UHFFFAOYSA-N 1 0 475.659 3.228 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303271394 1067799873 /nfs/dbraw/zinc/79/98/73/1067799873.db2.gz NTZMAVCPXDEQHU-SFHVURJKSA-N 1 0 486.617 3.365 20 0 JGADRO 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CC(C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001303275187 1067802913 /nfs/dbraw/zinc/80/29/13/1067802913.db2.gz UEZMAKNGTIWYFP-UHFFFAOYSA-N 1 0 457.529 3.401 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001303276241 1067803354 /nfs/dbraw/zinc/80/33/54/1067803354.db2.gz CWORIHJVTHHDLY-UHFFFAOYSA-N 1 0 454.619 3.019 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001303277094 1067804494 /nfs/dbraw/zinc/80/44/94/1067804494.db2.gz RASLUULWXQACPZ-UHFFFAOYSA-N 1 0 491.656 3.491 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303278257 1067806096 /nfs/dbraw/zinc/80/60/96/1067806096.db2.gz ZZFBGENMNSAUER-WOJBJXKFSA-N 1 0 464.655 3.348 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C ZINC001303278654 1067807118 /nfs/dbraw/zinc/80/71/18/1067807118.db2.gz MLHBSUBLSLKBCC-SFHVURJKSA-N 1 0 479.670 3.041 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001303278511 1067807337 /nfs/dbraw/zinc/80/73/37/1067807337.db2.gz HGNRTKVCCWRAGR-KRWDZBQOSA-N 1 0 493.450 3.052 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001303278835 1067807808 /nfs/dbraw/zinc/80/78/08/1067807808.db2.gz RLBQUSRJTDDRFO-NRFANRHFSA-N 1 0 468.646 3.306 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001303278890 1067807985 /nfs/dbraw/zinc/80/79/85/1067807985.db2.gz UCFQHKGTNAXCSO-UHFFFAOYSA-N 1 0 481.670 3.327 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001303278916 1067808360 /nfs/dbraw/zinc/80/83/60/1067808360.db2.gz UXWLTFSHBAZLGB-FGZHOGPDSA-N 1 0 489.709 3.265 20 0 JGADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCC1 ZINC001303281783 1067809256 /nfs/dbraw/zinc/80/92/56/1067809256.db2.gz GZNPLKHSPHLVKB-HXUWFJFHSA-N 1 0 463.623 3.220 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cccc(O)c3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304738889 1067812648 /nfs/dbraw/zinc/81/26/48/1067812648.db2.gz ZWGYAAVFGIMZFX-HXUWFJFHSA-N 1 0 467.618 3.154 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001303290886 1067814828 /nfs/dbraw/zinc/81/48/28/1067814828.db2.gz GVSNAAJAEZPEQV-LJQANCHMSA-N 1 0 450.653 3.186 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3ccccc3)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001304740288 1067814822 /nfs/dbraw/zinc/81/48/22/1067814822.db2.gz HPXREVIXOKYFNP-FQEVSTJZSA-N 1 0 465.646 3.226 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2CC[N@H+]2CC=CCC2)n1 ZINC001304740199 1067814864 /nfs/dbraw/zinc/81/48/64/1067814864.db2.gz MUDNNVRPTSDPFI-UHFFFAOYSA-N 1 0 474.407 3.394 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1)C(C)C ZINC001303291275 1067815282 /nfs/dbraw/zinc/81/52/82/1067815282.db2.gz MSOMNNALQNVTBV-RUZDIDTESA-N 1 0 467.593 3.481 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)C(C)C ZINC001303291165 1067815293 /nfs/dbraw/zinc/81/52/93/1067815293.db2.gz DFVNOGDBOPOGAK-DEOSSOPVSA-N 1 0 497.688 3.454 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)C(C)C ZINC001303291060 1067815338 /nfs/dbraw/zinc/81/53/38/1067815338.db2.gz JLRQFXKWQQAQRW-UHFFFAOYSA-N 1 0 496.635 3.175 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)C(C)C ZINC001303291166 1067815356 /nfs/dbraw/zinc/81/53/56/1067815356.db2.gz DFVNOGDBOPOGAK-XMMPIXPASA-N 1 0 497.688 3.454 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCSC1)C(C)C ZINC001303291273 1067815373 /nfs/dbraw/zinc/81/53/73/1067815373.db2.gz MNUQLKYLRTYQFV-OAQYLSRUSA-N 1 0 469.663 3.371 20 0 JGADRO CC(C)[NH+](CCCn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)C(C)C ZINC001303291075 1067815457 /nfs/dbraw/zinc/81/54/57/1067815457.db2.gz CGLFNDLPHJIFND-UHFFFAOYSA-N 1 0 453.635 3.090 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)C(C)C ZINC001303291385 1067815567 /nfs/dbraw/zinc/81/55/67/1067815567.db2.gz HPQCPOMMIONEPE-ROUUACIJSA-N 1 0 474.572 3.286 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@H]1CCOC1)C(C)C ZINC001303291740 1067815991 /nfs/dbraw/zinc/81/59/91/1067815991.db2.gz LZQIDYDGFSSKKK-SFHVURJKSA-N 1 0 453.591 3.328 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2CCNC(=O)C(C)C)n1 ZINC001304740705 1067816425 /nfs/dbraw/zinc/81/64/25/1067816425.db2.gz RBXSVINUXAHRBN-XMMPIXPASA-N 1 0 492.672 3.013 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCOC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)C(C)C ZINC001303291823 1067816487 /nfs/dbraw/zinc/81/64/87/1067816487.db2.gz OTHSYOQFEOAGLH-OAQYLSRUSA-N 1 0 481.707 3.229 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)C(C)C ZINC001303291779 1067816707 /nfs/dbraw/zinc/81/67/07/1067816707.db2.gz NOFSHZMNJUYCQB-FCHUYYIVSA-N 1 0 460.667 3.272 20 0 JGADRO CC(C)[NH+](CCCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)C(C)C ZINC001303292009 1067816973 /nfs/dbraw/zinc/81/69/73/1067816973.db2.gz QXXKHWWDIWUJQP-UHFFFAOYSA-N 1 0 482.677 3.265 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001304741282 1067817260 /nfs/dbraw/zinc/81/72/60/1067817260.db2.gz GZYQZYCNRMEUGD-OALUTQOASA-N 1 0 486.690 3.429 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001303291918 1067817240 /nfs/dbraw/zinc/81/72/40/1067817240.db2.gz PCHKGPJZNSAPCQ-NHCUHLMSSA-N 1 0 469.696 3.085 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCOC1)C(C)C ZINC001303292491 1067817952 /nfs/dbraw/zinc/81/79/52/1067817952.db2.gz GYZSXVGEGKFBGX-FQEVSTJZSA-N 1 0 477.675 3.330 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1)C(C)C ZINC001303292786 1067818391 /nfs/dbraw/zinc/81/83/91/1067818391.db2.gz PJAZXZOJGLKIBR-OQLXKQOESA-N 1 0 474.694 3.420 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1COc2ccccc2O1)C(C)C ZINC001303292962 1067818696 /nfs/dbraw/zinc/81/86/96/1067818696.db2.gz WVGSESDHYLDWQB-HXUWFJFHSA-N 1 0 493.612 3.320 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1)C(C)C ZINC001303295337 1067819170 /nfs/dbraw/zinc/81/91/70/1067819170.db2.gz BQDSBVGXNRTAFF-UHFFFAOYSA-N 1 0 499.685 3.293 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cccs2)CC1)C(C)C ZINC001303293012 1067819249 /nfs/dbraw/zinc/81/92/49/1067819249.db2.gz YRWPJVLVPYGHDY-UHFFFAOYSA-N 1 0 496.685 3.428 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1)C(C)C ZINC001303295993 1067820084 /nfs/dbraw/zinc/82/00/84/1067820084.db2.gz ADGPGAYJKMTBNG-UHFFFAOYSA-N 1 0 467.662 3.364 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C)C(C)C ZINC001303296882 1067820378 /nfs/dbraw/zinc/82/03/78/1067820378.db2.gz MKLAKLGRDHINPT-NRFANRHFSA-N 1 0 472.634 3.260 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(Cc4ccsc4)n3CCCCCO)CC2)CC1 ZINC001303296682 1067820504 /nfs/dbraw/zinc/82/05/04/1067820504.db2.gz DUWOYUHLZCSBAC-UHFFFAOYSA-N 1 0 460.692 3.088 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)NC(C)(C)C)C(C)C ZINC001303296819 1067820601 /nfs/dbraw/zinc/82/06/01/1067820601.db2.gz VPBOBEDNLIJKBT-UHFFFAOYSA-N 1 0 458.607 3.144 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304743382 1067820751 /nfs/dbraw/zinc/82/07/51/1067820751.db2.gz JIECDUMIJUGPCQ-XQBPLPMBSA-N 1 0 457.667 3.369 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304743380 1067820951 /nfs/dbraw/zinc/82/09/51/1067820951.db2.gz JIECDUMIJUGPCQ-JQVVWYNYSA-N 1 0 457.667 3.369 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001303296998 1067820999 /nfs/dbraw/zinc/82/09/99/1067820999.db2.gz FKKOJVFPPBEYBD-QGZVFWFLSA-N 1 0 478.435 3.168 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C(C)C ZINC001303297202 1067821274 /nfs/dbraw/zinc/82/12/74/1067821274.db2.gz PDFDDYQKCKCGCZ-UHFFFAOYSA-N 1 0 455.651 3.077 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001304743906 1067821809 /nfs/dbraw/zinc/82/18/09/1067821809.db2.gz QMFMSKHFFKWILL-NHCUHLMSSA-N 1 0 469.609 3.415 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304743908 1067821861 /nfs/dbraw/zinc/82/18/61/1067821861.db2.gz QMFMSKHFFKWILL-OYRHEFFESA-N 1 0 469.609 3.415 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001303297702 1067821814 /nfs/dbraw/zinc/82/18/14/1067821814.db2.gz KHOGBHITAWRNNZ-QGZVFWFLSA-N 1 0 495.466 3.134 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCOCC(F)F)CC2)CC1 ZINC001303298100 1067822094 /nfs/dbraw/zinc/82/20/94/1067822094.db2.gz OFXGEGZYQQXYCT-UHFFFAOYSA-N 1 0 498.022 3.270 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(C)C ZINC001303298205 1067822634 /nfs/dbraw/zinc/82/26/34/1067822634.db2.gz JHXYFVLWPROQEX-UHFFFAOYSA-N 1 0 497.047 3.470 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001303298211 1067822667 /nfs/dbraw/zinc/82/26/67/1067822667.db2.gz JKRNITADTNXDJO-LEWJYISDSA-N 1 0 462.683 3.280 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1)C(C)C ZINC001303298633 1067823362 /nfs/dbraw/zinc/82/33/62/1067823362.db2.gz NKXDTHIUWQPPRO-XZOQPEGZSA-N 1 0 468.646 3.186 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1)C(C)C ZINC001303298630 1067823602 /nfs/dbraw/zinc/82/36/02/1067823602.db2.gz NKXDTHIUWQPPRO-DHIUTWEWSA-N 1 0 468.646 3.186 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001303298813 1067823705 /nfs/dbraw/zinc/82/37/05/1067823705.db2.gz WYARDUGAYWASOK-PMACEKPBSA-N 1 0 491.681 3.171 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC001303299741 1067824346 /nfs/dbraw/zinc/82/43/46/1067824346.db2.gz ZKEZXRZEWXNOOO-LEWJYISDSA-N 1 0 458.582 3.065 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001303301126 1067824867 /nfs/dbraw/zinc/82/48/67/1067824867.db2.gz AUBQNQHPZKANCF-GOSISDBHSA-N 1 0 459.557 3.186 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001304745735 1067825057 /nfs/dbraw/zinc/82/50/57/1067825057.db2.gz UVZJZEFXNRTERR-LJQANCHMSA-N 1 0 455.582 3.278 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccccc3F)nnc2N(C)CCCNC(=O)C2CCC2)CC1 ZINC001303301190 1067825294 /nfs/dbraw/zinc/82/52/94/1067825294.db2.gz BXGFERRRHGMWBZ-UHFFFAOYSA-N 1 0 486.636 3.062 20 0 JGADRO Cc1ccc(S(=O)(=O)C2CCN(C(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC001303301391 1067825724 /nfs/dbraw/zinc/82/57/24/1067825724.db2.gz USTPAJKTLVIPSK-MDWZMJQESA-N 1 0 456.608 3.414 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001303301755 1067826091 /nfs/dbraw/zinc/82/60/91/1067826091.db2.gz OXZYLLKZFSGVTM-LJQANCHMSA-N 1 0 463.573 3.322 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304747358 1067826302 /nfs/dbraw/zinc/82/63/02/1067826302.db2.gz AFUXXVDCYVCXLD-IRLDBZIGSA-N 1 0 484.693 3.001 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CC3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001303301894 1067826411 /nfs/dbraw/zinc/82/64/11/1067826411.db2.gz UNQVPXWDTDKEBW-IBGZPJMESA-N 1 0 476.666 3.132 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CO)CC2)CC1 ZINC001303301947 1067826462 /nfs/dbraw/zinc/82/64/62/1067826462.db2.gz WUMWLKAANNVDLH-UHFFFAOYSA-N 1 0 466.001 3.182 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CCOc3ccccc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001303302093 1067826569 /nfs/dbraw/zinc/82/65/69/1067826569.db2.gz BIZLLFHPIDMPCJ-FQEVSTJZSA-N 1 0 459.660 3.077 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001303302046 1067826837 /nfs/dbraw/zinc/82/68/37/1067826837.db2.gz ZRDNXJQEYGNWCD-OAQYLSRUSA-N 1 0 482.673 3.180 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CCCc3ccccc3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001303302511 1067827207 /nfs/dbraw/zinc/82/72/07/1067827207.db2.gz KPCBNVPVVUAAFT-QHCPKHFHSA-N 1 0 455.647 3.161 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304747727 1067827255 /nfs/dbraw/zinc/82/72/55/1067827255.db2.gz FGUMQAAZUDDPPM-VQTJNVASSA-N 1 0 488.681 3.219 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCOCC2)C1 ZINC001303302803 1067827584 /nfs/dbraw/zinc/82/75/84/1067827584.db2.gz NAIHIODITHCLGV-HXUWFJFHSA-N 1 0 475.037 3.209 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC001303302913 1067827617 /nfs/dbraw/zinc/82/76/17/1067827617.db2.gz CEJIQHCCMUMHGW-ROUUACIJSA-N 1 0 467.540 3.403 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001303302827 1067827713 /nfs/dbraw/zinc/82/77/13/1067827713.db2.gz NTMPGKBJILNLAH-OAQYLSRUSA-N 1 0 478.037 3.361 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCOCC2)C1 ZINC001303302802 1067827858 /nfs/dbraw/zinc/82/78/58/1067827858.db2.gz NAIHIODITHCLGV-FQEVSTJZSA-N 1 0 475.037 3.209 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303303000 1067828179 /nfs/dbraw/zinc/82/81/79/1067828179.db2.gz QJJRTSQDUKWSCG-MSOLQXFVSA-N 1 0 456.557 3.413 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304749531 1067829439 /nfs/dbraw/zinc/82/94/39/1067829439.db2.gz LMMFVLHDFIDXPT-OFNKIYASSA-N 1 0 465.646 3.259 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304749630 1067829617 /nfs/dbraw/zinc/82/96/17/1067829617.db2.gz GAHGTXQCVLRNAS-HSALFYBXSA-N 1 0 483.583 3.416 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303858 1067829725 /nfs/dbraw/zinc/82/97/25/1067829725.db2.gz JUMUAGVASGSELF-RTBURBONSA-N 1 0 491.624 3.469 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)C2CC2)CC1 ZINC001303304145 1067830249 /nfs/dbraw/zinc/83/02/49/1067830249.db2.gz CYHNWTRDAUKYHA-NRFANRHFSA-N 1 0 465.440 3.128 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001303304175 1067830608 /nfs/dbraw/zinc/83/06/08/1067830608.db2.gz DJGTXJOTPSAYIE-LJQANCHMSA-N 1 0 465.689 3.064 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(=O)N(C)c4ccccc4)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304750645 1067830987 /nfs/dbraw/zinc/83/09/87/1067830987.db2.gz WMNUSYDOASIZOO-HSZRJFAPSA-N 1 0 492.672 3.359 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001303304519 1067831132 /nfs/dbraw/zinc/83/11/32/1067831132.db2.gz NLWZOOGALUWXHC-VQTJNVASSA-N 1 0 456.610 3.220 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303304499 1067831490 /nfs/dbraw/zinc/83/14/90/1067831490.db2.gz HSLWCORINAJKIF-NHCUHLMSSA-N 1 0 476.666 3.081 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2c(C)nn(C)c2C)n1 ZINC001304751660 1067831736 /nfs/dbraw/zinc/83/17/36/1067831736.db2.gz NICAOXWNUALNKZ-UHFFFAOYSA-N 1 0 467.666 3.095 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nccs2)CC1 ZINC001303304666 1067831824 /nfs/dbraw/zinc/83/18/24/1067831824.db2.gz JMLZVKYDURFCRA-UHFFFAOYSA-N 1 0 464.437 3.471 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)CCOc2ccccc2)C1 ZINC001303304946 1067831926 /nfs/dbraw/zinc/83/19/26/1067831926.db2.gz LDWFBOCFRSJIMV-NRFANRHFSA-N 1 0 454.619 3.036 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001303305504 1067833384 /nfs/dbraw/zinc/83/33/84/1067833384.db2.gz RTEQRZKRUBJHGY-UHFFFAOYSA-N 1 0 480.535 3.382 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001303305284 1067833472 /nfs/dbraw/zinc/83/34/72/1067833472.db2.gz SLECDIJTWVHKQM-RTBURBONSA-N 1 0 467.584 3.477 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Nc3ccn(C)n3)nnc2C(=O)NCc2ccc(Cl)cc2)C1 ZINC001303305688 1067833493 /nfs/dbraw/zinc/83/34/93/1067833493.db2.gz UMYGHXBHKCVWAT-GOSISDBHSA-N 1 0 471.009 3.459 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304753112 1067833908 /nfs/dbraw/zinc/83/39/08/1067833908.db2.gz WHENUWDHTSZUOP-RBUKOAKNSA-N 1 0 471.572 3.415 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCc2nccc(C(F)(F)F)n2)n1 ZINC001304753178 1067833967 /nfs/dbraw/zinc/83/39/67/1067833967.db2.gz FLFDWETURVTQCP-UHFFFAOYSA-N 1 0 491.566 3.158 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303305956 1067834229 /nfs/dbraw/zinc/83/42/29/1067834229.db2.gz XBBFYPXHNYIWAK-CTNGQTDRSA-N 1 0 451.681 3.460 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001303305924 1067834626 /nfs/dbraw/zinc/83/46/26/1067834626.db2.gz WURWUOWSBVIXFB-AABGKKOBSA-N 1 0 462.639 3.006 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001303308005 1067835998 /nfs/dbraw/zinc/83/59/98/1067835998.db2.gz NGEQYKVPRDBICS-SSEXGKCCSA-N 1 0 453.056 3.461 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CC2)CC1 ZINC001303308443 1067836418 /nfs/dbraw/zinc/83/64/18/1067836418.db2.gz WXNJNAAXSWBUTK-UHFFFAOYSA-N 1 0 452.372 3.292 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCS(C)(=O)=O)CC1 ZINC001303308258 1067836442 /nfs/dbraw/zinc/83/64/42/1067836442.db2.gz UWZOQFWEYNDTEO-UHFFFAOYSA-N 1 0 458.003 3.093 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001304755066 1067837350 /nfs/dbraw/zinc/83/73/50/1067837350.db2.gz VGNFDXHLEVEDOO-QFIPXVFZSA-N 1 0 498.701 3.245 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccccc3F)n2CCCO[C@@H]2CCOC2)CC1 ZINC001303309967 1067837745 /nfs/dbraw/zinc/83/77/45/1067837745.db2.gz BJIKZZHFUXKMOS-HXUWFJFHSA-N 1 0 461.582 3.112 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303310530 1067838855 /nfs/dbraw/zinc/83/88/55/1067838855.db2.gz NLPYCMXQHFIWPQ-NHCUHLMSSA-N 1 0 476.666 3.350 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303310532 1067838995 /nfs/dbraw/zinc/83/89/95/1067838995.db2.gz NLPYCMXQHFIWPQ-SFTDATJTSA-N 1 0 476.666 3.350 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](Cc4noc(C)n4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304756502 1067840436 /nfs/dbraw/zinc/84/04/36/1067840436.db2.gz QCGBLQWMDBLIAX-QFIPXVFZSA-N 1 0 483.665 3.409 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cccn3C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001303311528 1067840601 /nfs/dbraw/zinc/84/06/01/1067840601.db2.gz BCVBVSDDDLPEGY-UHFFFAOYSA-N 1 0 469.634 3.381 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCc2ccccc2)CC1 ZINC001303311341 1067840691 /nfs/dbraw/zinc/84/06/91/1067840691.db2.gz ZRFOXAMHSXRIHP-NRFANRHFSA-N 1 0 477.700 3.034 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C)C3)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001304756829 1067840940 /nfs/dbraw/zinc/84/09/40/1067840940.db2.gz UXLLFSLVPOVEKH-IBGZPJMESA-N 1 0 451.619 3.365 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303311668 1067841030 /nfs/dbraw/zinc/84/10/30/1067841030.db2.gz HIAABFZZUDTHAA-FQEVSTJZSA-N 1 0 471.650 3.461 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC001303312056 1067841390 /nfs/dbraw/zinc/84/13/90/1067841390.db2.gz WWYGQMIKEVFARJ-JGCGQSQUSA-N 1 0 473.046 3.451 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCC(=O)N(C)C)CC1 ZINC001303311962 1067841410 /nfs/dbraw/zinc/84/14/10/1067841410.db2.gz SFRUOWVJCOYZLP-UHFFFAOYSA-N 1 0 463.424 3.106 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H](C)C[NH+]2CCCCC2)n1 ZINC001304757187 1067841600 /nfs/dbraw/zinc/84/16/00/1067841600.db2.gz ZGFKUWNSFZBDBC-OFNKIYASSA-N 1 0 484.693 3.003 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001303312818 1067841999 /nfs/dbraw/zinc/84/19/99/1067841999.db2.gz JSVBTGDFMRQUNW-IEBWSBKVSA-N 1 0 468.499 3.381 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cc(Br)ccc2F)CC1 ZINC001303312558 1067842033 /nfs/dbraw/zinc/84/20/33/1067842033.db2.gz FXOHWPIDPTZHGZ-QGZVFWFLSA-N 1 0 466.399 3.457 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCCO2)CC1 ZINC001303313047 1067842263 /nfs/dbraw/zinc/84/22/63/1067842263.db2.gz MAQQRTSZWLOQFZ-NRFANRHFSA-N 1 0 476.666 3.492 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001303316772 1067844363 /nfs/dbraw/zinc/84/43/63/1067844363.db2.gz DDVJXAUQVZMHEQ-UHFFFAOYSA-N 1 0 457.623 3.099 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCN(C)c2ccccc2F)n1 ZINC001304759429 1067844800 /nfs/dbraw/zinc/84/48/00/1067844800.db2.gz JUFPVGZNGTXKLV-UHFFFAOYSA-N 1 0 468.625 3.336 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc[nH]4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303317008 1067844883 /nfs/dbraw/zinc/84/48/83/1067844883.db2.gz MKRAIGRHFRXPAF-QGZVFWFLSA-N 1 0 453.557 3.466 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001303317194 1067845227 /nfs/dbraw/zinc/84/52/27/1067845227.db2.gz JBSPVDSTJPDYQF-UHFFFAOYSA-N 1 0 456.610 3.187 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001303317074 1067845304 /nfs/dbraw/zinc/84/53/04/1067845304.db2.gz OXSFTUVKPCMPHM-QGZVFWFLSA-N 1 0 454.497 3.044 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CCN(C)CC(F)(F)F)CC1 ZINC001303317066 1067845369 /nfs/dbraw/zinc/84/53/69/1067845369.db2.gz OQXRCYPOGLTIEN-UHFFFAOYSA-N 1 0 458.504 3.021 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C)CCOCC2)CC1 ZINC001303317317 1067845856 /nfs/dbraw/zinc/84/58/56/1067845856.db2.gz UQZHMHMRUIPNHB-BGYRXZFFSA-N 1 0 476.666 3.396 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(c4ccccc4Cl)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304760284 1067846410 /nfs/dbraw/zinc/84/64/10/1067846410.db2.gz OSGJYVWZGWXWBU-LJQANCHMSA-N 1 0 457.026 3.070 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccccc2Cl)CC1 ZINC001303317631 1067846504 /nfs/dbraw/zinc/84/65/04/1067846504.db2.gz RNMZXSSOFYKLTD-DEOSSOPVSA-N 1 0 455.006 3.355 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304761011 1067847200 /nfs/dbraw/zinc/84/72/00/1067847200.db2.gz SYNSZQWNVRQKLU-UHFFFAOYSA-N 1 0 496.660 3.204 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3ccsc3)C2)CC1 ZINC001303317765 1067847483 /nfs/dbraw/zinc/84/74/83/1067847483.db2.gz CRCCYECCGBKRBJ-BWKNWUBXSA-N 1 0 474.719 3.441 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CCCC(F)(F)F)n1 ZINC001304761298 1067848431 /nfs/dbraw/zinc/84/84/31/1067848431.db2.gz ZHBUCDUVHMVCEM-IBGZPJMESA-N 1 0 469.556 3.031 20 0 JGADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCSC3)CC2)C1 ZINC001303318066 1067848507 /nfs/dbraw/zinc/84/85/07/1067848507.db2.gz ICRZKIOCMQOVQL-YADHBBJMSA-N 1 0 478.751 3.241 20 0 JGADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCSC3)CC2)C1 ZINC001303318064 1067848679 /nfs/dbraw/zinc/84/86/79/1067848679.db2.gz ICRZKIOCMQOVQL-VXKWHMMOSA-N 1 0 478.751 3.241 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2ncccc2C)n1 ZINC001304762617 1067850149 /nfs/dbraw/zinc/85/01/49/1067850149.db2.gz CXEOBBKXYWXYEZ-UHFFFAOYSA-N 1 0 450.635 3.450 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318595 1067850093 /nfs/dbraw/zinc/85/00/93/1067850093.db2.gz VQIFNNVWZSKWRB-ROUUACIJSA-N 1 0 476.613 3.377 20 0 JGADRO 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CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001303325178 1067854490 /nfs/dbraw/zinc/85/44/90/1067854490.db2.gz VGJQEAREDNEXSQ-RXVVDRJESA-N 1 0 460.598 3.110 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001304764966 1067854634 /nfs/dbraw/zinc/85/46/34/1067854634.db2.gz WTGNASGIPPRMFQ-LEWJYISDSA-N 1 0 483.686 3.459 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)c2nccs2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001303330038 1067859170 /nfs/dbraw/zinc/85/91/70/1067859170.db2.gz JUUQBFOSQLGUII-GOSISDBHSA-N 1 0 467.643 3.171 20 0 JGADRO Cc1cc(C)n(CC2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001304769435 1067859787 /nfs/dbraw/zinc/85/97/87/1067859787.db2.gz WWINNQXGLYZNRU-QFIPXVFZSA-N 1 0 470.666 3.078 20 0 JGADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccccc4)n3CCC[N@@H+](C)C(C)C)CCO2)n1 ZINC001304771078 1067862551 /nfs/dbraw/zinc/86/25/51/1067862551.db2.gz ZRIPIYMWDRFRPZ-HSZRJFAPSA-N 1 0 451.619 3.394 20 0 JGADRO 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CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001303368898 1067897859 /nfs/dbraw/zinc/89/78/59/1067897859.db2.gz BDKGBKWHQSTUAJ-YKSBVNFPSA-N 1 0 475.037 3.042 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@]1(C)CCCS1 ZINC001303369123 1067898304 /nfs/dbraw/zinc/89/83/04/1067898304.db2.gz JOLYFXWCAQOIFS-YKSBVNFPSA-N 1 0 456.660 3.413 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001303369706 1067899161 /nfs/dbraw/zinc/89/91/61/1067899161.db2.gz RCGXXXKKISFFHM-XPNTWCBSSA-N 1 0 468.646 3.332 20 0 JGADRO Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001304841188 1067899857 /nfs/dbraw/zinc/89/98/57/1067899857.db2.gz VUZQUKNLGUJQMF-OAQYLSRUSA-N 1 0 472.634 3.316 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccccc1Cl ZINC001303372519 1067901820 /nfs/dbraw/zinc/90/18/20/1067901820.db2.gz MPKCVDHKZUVVTO-UHFFFAOYSA-N 1 0 488.080 3.113 20 0 JGADRO 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ZINC001304982085 1068022594 /nfs/dbraw/zinc/02/25/94/1068022594.db2.gz CZQMIDFCWBBACA-KDYSTLNUSA-N 1 0 491.640 3.435 20 0 JGADRO CC(C)[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981956 1068022739 /nfs/dbraw/zinc/02/27/39/1068022739.db2.gz CGEOXGLIDSKAGJ-GHDARCQNSA-N 1 0 454.685 3.024 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCCOC(F)F)CCOC1 ZINC001303496337 1068022773 /nfs/dbraw/zinc/02/27/73/1068022773.db2.gz IDRAZLHOKKUZOU-AVRDEDQJSA-N 1 0 457.566 3.013 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC(CO)CC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303496555 1068023009 /nfs/dbraw/zinc/02/30/09/1068023009.db2.gz XFEYGEBZMJLAHX-QFQXNSOFSA-N 1 0 471.646 3.048 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H](C)O1 ZINC001304981997 1068022950 /nfs/dbraw/zinc/02/29/50/1068022950.db2.gz CSANTOSVOFDORW-IFOBJOEFSA-N 1 0 471.694 3.340 20 0 JGADRO C[C@H]1CCC[C@](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(F)(F)F)([NH+](C)C)C1 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C[C@H]1CCC[C@](Cn2c(C(=O)N3CCCC3)nnc2N2CCCN(CC(F)(F)F)CC2)([NH+](C)C)C1 ZINC001304982851 1068024520 /nfs/dbraw/zinc/02/45/20/1068024520.db2.gz HKENMYNTENJCJM-CVDCTZTESA-N 1 0 499.626 3.099 20 0 JGADRO C[C@H]1CCC[C@](Cn2c(CN3CCCC3=O)nnc2N(C)CCc2nccs2)([NH+](C)C)C1 ZINC001304982989 1068024673 /nfs/dbraw/zinc/02/46/73/1068024673.db2.gz CEIMBGOVFYKRAX-MBSDFSHPSA-N 1 0 459.664 3.046 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C[C@@](C)(O)C(C)C)CCOC1 ZINC001303497449 1068025067 /nfs/dbraw/zinc/02/50/67/1068025067.db2.gz UVPPBZYNJNWTLV-JWQCQUIFSA-N 1 0 463.667 3.180 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C[C@](C)(O)C(C)C)CCOC1 ZINC001303497448 1068025224 /nfs/dbraw/zinc/02/52/24/1068025224.db2.gz UVPPBZYNJNWTLV-DQEYMECFSA-N 1 0 463.667 3.180 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCSC[C@@H]2C)([NH+](C)C)C1 ZINC001304983199 1068025266 /nfs/dbraw/zinc/02/52/66/1068025266.db2.gz JNTSIHGQMAFEGM-STSQHVNTSA-N 1 0 457.648 3.378 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)([NH+](C)C)C1 ZINC001304983709 1068025474 /nfs/dbraw/zinc/02/54/74/1068025474.db2.gz FBQBJJXJXASGAV-HMFYCAOWSA-N 1 0 490.590 3.315 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)([NH+](C)C)C1 ZINC001304983711 1068025977 /nfs/dbraw/zinc/02/59/77/1068025977.db2.gz FBQBJJXJXASGAV-KGVIQGDOSA-N 1 0 490.590 3.315 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCCCCCC3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCOC1 ZINC001303499596 1068026281 /nfs/dbraw/zinc/02/62/81/1068026281.db2.gz DYARTLMRKSXFMK-DHLKQENFSA-N 1 0 463.667 3.326 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCCCCCC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCOC1 ZINC001303499597 1068026314 /nfs/dbraw/zinc/02/63/14/1068026314.db2.gz DYARTLMRKSXFMK-RCZVLFRGSA-N 1 0 463.667 3.326 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(-c3cccnc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001304984459 1068027003 /nfs/dbraw/zinc/02/70/03/1068027003.db2.gz RBRTYAPPRGZBQR-NHCICSSKSA-N 1 0 474.675 3.254 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(-c3cccnc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001304984458 1068027149 /nfs/dbraw/zinc/02/71/49/1068027149.db2.gz RBRTYAPPRGZBQR-IZIIKQMZSA-N 1 0 474.675 3.254 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCCC4(CCOCC4)C3)n2CCC[N@H+](C)C(C)C)CCOC1 ZINC001303500133 1068027206 /nfs/dbraw/zinc/02/72/06/1068027206.db2.gz GPARDSFJFZPBNF-VWLOTQADSA-N 1 0 463.667 3.446 20 0 JGADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCC(=O)N(C)C)CC1 ZINC001304984445 1068027273 /nfs/dbraw/zinc/02/72/73/1068027273.db2.gz QUQIWVCUCUWLEQ-LJQANCHMSA-N 1 0 488.702 3.157 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304984796 1068027833 /nfs/dbraw/zinc/02/78/33/1068027833.db2.gz SNYGCXUNEXMXBO-DNVFCKCGSA-N 1 0 468.712 3.415 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCN(C)C(=O)OC(C)(C)C)CCOC1 ZINC001303500568 1068028031 /nfs/dbraw/zinc/02/80/31/1068028031.db2.gz BMCPIOQGBTYKAB-VWLOTQADSA-N 1 0 494.681 3.106 20 0 JGADRO C[C@H]1CCC[C@@](Cn2c(-c3cc4ccccc4o3)nnc2N(C)CCNS(C)(=O)=O)([NH+](C)C)C1 ZINC001304986200 1068029315 /nfs/dbraw/zinc/02/93/15/1068029315.db2.gz XWFMNPPGGBNAHL-MHECFPHRSA-N 1 0 488.658 3.187 20 0 JGADRO CC(C)OC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001304986748 1068029619 /nfs/dbraw/zinc/02/96/19/1068029619.db2.gz MBUBHPZKBHRNGA-NBGIEHNGSA-N 1 0 460.667 3.305 20 0 JGADRO C[C@H]1CCC[C@](Cn2c(Cc3ccccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)([NH+](C)C)C1 ZINC001304986763 1068029677 /nfs/dbraw/zinc/02/96/77/1068029677.db2.gz MEVAVZDDAKCSNG-IDISGSTGSA-N 1 0 481.689 3.469 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CSCCS2)CCOC1 ZINC001303501451 1068029884 /nfs/dbraw/zinc/02/98/84/1068029884.db2.gz GQJGMJBXKKJUCH-PGRDOPGGSA-N 1 0 469.721 3.088 20 0 JGADRO C[C@H]1CCC[C@](Cn2c(C3CCCC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC001304988662 1068030635 /nfs/dbraw/zinc/03/06/35/1068030635.db2.gz QDOBDFWRGDYMRP-CYFREDJKSA-N 1 0 480.723 3.306 20 0 JGADRO 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468.646 3.112 20 0 JGADRO CC(C)OCCN1CCN(c2nnc(Cc3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001304992040 1068033435 /nfs/dbraw/zinc/03/34/35/1068033435.db2.gz XWTLFNLPLMYUAB-KCWPFWIISA-N 1 0 483.705 3.321 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(CNC(=O)c3cccs3)nnc2N2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304992443 1068034158 /nfs/dbraw/zinc/03/41/58/1068034158.db2.gz ZAGCRLVTYWEGNR-HOYKHHGWSA-N 1 0 474.675 3.395 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001304994124 1068036212 /nfs/dbraw/zinc/03/62/12/1068036212.db2.gz BRMZPRVNBNLNKR-DNVJHFABSA-N 1 0 487.737 3.339 20 0 JGADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001304996635 1068039558 /nfs/dbraw/zinc/03/95/58/1068039558.db2.gz QXMRQEBELSFDKO-PUHATCMVSA-N 1 0 487.737 3.024 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@H+](C)C2CCCC2)CCOC1 ZINC001303506684 1068040862 /nfs/dbraw/zinc/04/08/62/1068040862.db2.gz 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BETHEYWQXOXORP-LPHOPBHVSA-N 1 0 466.424 3.288 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305015984 1068059249 /nfs/dbraw/zinc/05/92/49/1068059249.db2.gz KNLFDSMCNHCJNC-RTWAWAEBSA-N 1 0 460.667 3.131 20 0 JGADRO CC(C)OC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303530696 1068059732 /nfs/dbraw/zinc/05/97/32/1068059732.db2.gz WLJJEHBCTAOUNS-QFIPXVFZSA-N 1 0 454.619 3.097 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305016660 1068059881 /nfs/dbraw/zinc/05/98/81/1068059881.db2.gz IHYZSOMUHGASAC-JTHBVZDNSA-N 1 0 473.687 3.341 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001303530932 1068059852 /nfs/dbraw/zinc/05/98/52/1068059852.db2.gz IJCKFWYRCBSTGQ-APWZRJJASA-N 1 0 453.534 3.127 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001305016336 1068060100 /nfs/dbraw/zinc/06/01/00/1068060100.db2.gz HHBBQNKCXAIMPU-GOSISDBHSA-N 1 0 498.594 3.403 20 0 JGADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001305017166 1068060541 /nfs/dbraw/zinc/06/05/41/1068060541.db2.gz DBQLLPKCIQJIPD-QZTJIDSGSA-N 1 0 460.648 3.005 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001305017354 1068060899 /nfs/dbraw/zinc/06/08/99/1068060899.db2.gz LEBVCUMBAOKPCI-VQTJNVASSA-N 1 0 493.649 3.274 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001305017341 1068061330 /nfs/dbraw/zinc/06/13/30/1068061330.db2.gz LASRBIXDMDLOOJ-GJZGRUSLSA-N 1 0 466.428 3.000 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001303532228 1068061546 /nfs/dbraw/zinc/06/15/46/1068061546.db2.gz XVULHMFXWORGAE-NRFANRHFSA-N 1 0 478.037 3.340 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(Cc2ccncc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001305018154 1068062083 /nfs/dbraw/zinc/06/20/83/1068062083.db2.gz 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C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1CCCC[NH+]1CCC(C)CC1 ZINC001305101549 1068167833 /nfs/dbraw/zinc/16/78/33/1068167833.db2.gz FFVGQXYRJYCNNC-IBGZPJMESA-N 1 0 465.639 3.466 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305102299 1068168456 /nfs/dbraw/zinc/16/84/56/1068168456.db2.gz PGELLVCIBIHRSW-IBGZPJMESA-N 1 0 494.731 3.415 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305102300 1068168479 /nfs/dbraw/zinc/16/84/79/1068168479.db2.gz PGELLVCIBIHRSW-LJQANCHMSA-N 1 0 494.731 3.415 20 0 JGADRO CC1CC[NH+](CCCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001305102792 1068169546 /nfs/dbraw/zinc/16/95/46/1068169546.db2.gz VPQOOPQSZJQIGF-UHFFFAOYSA-N 1 0 476.572 3.337 20 0 JGADRO CC1CC[NH+](CCCCn2c(-c3cc(Br)cn3C)nnc2N2CCS(=O)CC2)CC1 ZINC001305102870 1068169572 /nfs/dbraw/zinc/16/95/72/1068169572.db2.gz XQDQXCWPXOBJHP-UHFFFAOYSA-N 1 0 497.507 3.127 20 0 JGADRO CC1CC[NH+](CCCCn2c(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)nnc2C(C)(C)C)CC1 ZINC001305103457 1068170947 /nfs/dbraw/zinc/17/09/47/1068170947.db2.gz HJMHBYVKBYWZAA-NRFANRHFSA-N 1 0 482.739 3.196 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(Cl)s2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103749 1068170985 /nfs/dbraw/zinc/17/09/85/1068170985.db2.gz MQHGIDQESXCETK-INIZCTEOSA-N 1 0 489.111 3.362 20 0 JGADRO CC1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001305103996 1068171437 /nfs/dbraw/zinc/17/14/37/1068171437.db2.gz QMHYOODTIMIKCS-UUWRZZSWSA-N 1 0 486.686 3.010 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103800 1068171461 /nfs/dbraw/zinc/17/14/61/1068171461.db2.gz MZZUSUKPWDLSOQ-TZIWHRDSSA-N 1 0 492.665 3.143 20 0 JGADRO CC1CC[NH+](CCCn2c(COc3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001305103936 1068171470 /nfs/dbraw/zinc/17/14/70/1068171470.db2.gz QITMSUJVQMVVIG-UHFFFAOYSA-N 1 0 474.625 3.469 20 0 JGADRO CC1CC[NH+](CCCCn2c([C@H]3CCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001305104047 1068171976 /nfs/dbraw/zinc/17/19/76/1068171976.db2.gz SAITVJHLKZUKHN-JOCHJYFZSA-N 1 0 462.683 3.189 20 0 JGADRO CC1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001305104132 1068172056 /nfs/dbraw/zinc/17/20/56/1068172056.db2.gz TZOPKRWVFRZCEO-UHFFFAOYSA-N 1 0 467.662 3.081 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC(CO)CC3)n2CCCC[NH+]2CCC(C)CC2)CCOC1 ZINC001305104559 1068172594 /nfs/dbraw/zinc/17/25/94/1068172594.db2.gz WXOLAJLFZUJPFM-VWLOTQADSA-N 1 0 463.667 3.040 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC(CO)CC3)n2CCCC[NH+]2CCC(C)CC2)CCOC1 ZINC001305104558 1068172598 /nfs/dbraw/zinc/17/25/98/1068172598.db2.gz WXOLAJLFZUJPFM-RUZDIDTESA-N 1 0 463.667 3.040 20 0 JGADRO CC1CC[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001305104760 1068172605 /nfs/dbraw/zinc/17/26/05/1068172605.db2.gz XEBUCZDPEHNFBR-HSZRJFAPSA-N 1 0 473.687 3.371 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccc2Br)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303644412 1068173087 /nfs/dbraw/zinc/17/30/87/1068173087.db2.gz JKCRXKLMKGVIMW-YOEHRIQHSA-N 1 0 475.391 3.304 20 0 JGADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001305105676 1068173615 /nfs/dbraw/zinc/17/36/15/1068173615.db2.gz OGDYRENLJXRYIJ-UHFFFAOYSA-N 1 0 455.651 3.478 20 0 JGADRO O=C(Nc1ccc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c(O)c1)c1cc(F)cc(F)c1 ZINC001303646107 1068174427 /nfs/dbraw/zinc/17/44/27/1068174427.db2.gz LDWNLFBCLKJDFV-UHFFFAOYSA-N 1 0 459.493 3.296 20 0 JGADRO C[C@H]([C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC001305107043 1068175833 /nfs/dbraw/zinc/17/58/33/1068175833.db2.gz NBFPEARVQKTOQU-VQTJNVASSA-N 1 0 499.685 3.325 20 0 JGADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[NH+]1CCC(C)CC1 ZINC001305107041 1068175862 /nfs/dbraw/zinc/17/58/62/1068175862.db2.gz NBFPEARVQKTOQU-PMACEKPBSA-N 1 0 499.685 3.325 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCC(CO)CC2)CC1 ZINC001305108445 1068177988 /nfs/dbraw/zinc/17/79/88/1068177988.db2.gz TYUVJXCITWRCQF-QFIPXVFZSA-N 1 0 490.693 3.333 20 0 JGADRO CC1CC[NH+](CCn2c(C(=O)Nc3ccccn3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001305108510 1068178080 /nfs/dbraw/zinc/17/80/80/1068178080.db2.gz XSJUCNJBTBGJBL-UHFFFAOYSA-N 1 0 463.508 3.356 20 0 JGADRO O=C(CNC(=O)c1ccccc1OC(F)F)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305108818 1068178348 /nfs/dbraw/zinc/17/83/48/1068178348.db2.gz PUOOLLFNFSODRF-AABGKKOBSA-N 1 0 457.521 3.435 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[NH+]2CCC(C)CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305109060 1068179036 /nfs/dbraw/zinc/17/90/36/1068179036.db2.gz ZNIQGVYNJIGFST-TZIWHRDSSA-N 1 0 469.634 3.421 20 0 JGADRO CC1CC[NH+](CCn2c(-c3cccn3C)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001305109034 1068179082 /nfs/dbraw/zinc/17/90/82/1068179082.db2.gz YKBCZRATHKENCI-UHFFFAOYSA-N 1 0 471.556 3.369 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC1CC(C)(C)C1 ZINC001305110065 1068180005 /nfs/dbraw/zinc/18/00/05/1068180005.db2.gz VLSNHEZKIZGKOB-UXHICEINSA-N 1 0 480.723 3.273 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001305109996 1068180681 /nfs/dbraw/zinc/18/06/81/1068180681.db2.gz AWNXNOFJXXEMFJ-IEBWSBKVSA-N 1 0 452.525 3.152 20 0 JGADRO C[C@H]([C@H](C)N(C)c1nnc(CCc2ccccc2)n1CC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC001305110014 1068180792 /nfs/dbraw/zinc/18/07/92/1068180792.db2.gz BTNPSWIPCMTHQA-LEWJYISDSA-N 1 0 461.676 3.053 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001303651683 1068181140 /nfs/dbraw/zinc/18/11/40/1068181140.db2.gz CZLXXZOHRRYPBH-LMVRJCEZSA-N 1 0 472.634 3.327 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1CCOC[C@@H]1C ZINC001305110515 1068181193 /nfs/dbraw/zinc/18/11/93/1068181193.db2.gz YZJOGSRDJBHRNF-FKBYEOEOSA-N 1 0 460.667 3.037 20 0 JGADRO CC1CC[NH+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001305110779 1068181787 /nfs/dbraw/zinc/18/17/87/1068181787.db2.gz OMSIWUQHUQIJEY-LJQANCHMSA-N 1 0 475.037 3.334 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccncc3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001305110792 1068181819 /nfs/dbraw/zinc/18/18/19/1068181819.db2.gz OVHOYHNJTPWAEW-XIFFEERXSA-N 1 0 466.655 3.370 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC001305111255 1068182444 /nfs/dbraw/zinc/18/24/44/1068182444.db2.gz ALGXVLAZVJKFJU-QZTJIDSGSA-N 1 0 476.691 3.169 20 0 JGADRO C[C@H](N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(F)(F)F ZINC001305111430 1068182888 /nfs/dbraw/zinc/18/28/88/1068182888.db2.gz CKFBXQGOLFDMKU-KSZLIROESA-N 1 0 472.600 3.191 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Br)s3)nnc2N2CCOCC2)C[C@@H](C)O1 ZINC001305111603 1068183528 /nfs/dbraw/zinc/18/35/28/1068183528.db2.gz BBWWSPLDCGTYFB-HUUCEWRRSA-N 1 0 484.464 3.494 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C[C@H](C)O1 ZINC001305111447 1068183542 /nfs/dbraw/zinc/18/35/42/1068183542.db2.gz CPHDABDVWYFYLN-BGYRXZFFSA-N 1 0 485.608 3.217 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C[C@@H](C)O1 ZINC001305111449 1068183564 /nfs/dbraw/zinc/18/35/64/1068183564.db2.gz CPHDABDVWYFYLN-WOJBJXKFSA-N 1 0 485.608 3.217 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CCCO)CC2)C[C@H](C)O1 ZINC001305111732 1068184008 /nfs/dbraw/zinc/18/40/08/1068184008.db2.gz FYIYNUYQVIXMMM-VWPQPMDRSA-N 1 0 463.667 3.396 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N2CCC(O)(C(F)(F)F)CC2)C[C@@H](C)O1 ZINC001305111996 1068184933 /nfs/dbraw/zinc/18/49/33/1068184933.db2.gz IOUITLOYAQCWCT-QZTJIDSGSA-N 1 0 496.578 3.045 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305112158 1068185357 /nfs/dbraw/zinc/18/53/57/1068185357.db2.gz JMAGCKNFZHFOIZ-RZUBCFFCSA-N 1 0 456.635 3.013 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303654423 1068186071 /nfs/dbraw/zinc/18/60/71/1068186071.db2.gz WGWXHWYIDHNKSG-GBESFXJTSA-N 1 0 491.681 3.013 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCn2cccn2)C[C@@H](C)O1 ZINC001305112497 1068186615 /nfs/dbraw/zinc/18/66/15/1068186615.db2.gz IGCNVYIBKNIWRX-QZTJIDSGSA-N 1 0 473.025 3.214 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001305112410 1068186759 /nfs/dbraw/zinc/18/67/59/1068186759.db2.gz LRXOJWHVGOCYHQ-HDICACEKSA-N 1 0 490.599 3.203 20 0 JGADRO CC(C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305112451 1068186861 /nfs/dbraw/zinc/18/68/61/1068186861.db2.gz HTCBJVZZXBLICD-RTBURBONSA-N 1 0 461.680 3.068 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305112746 1068187955 /nfs/dbraw/zinc/18/79/55/1068187955.db2.gz JJSBFLFGHQVZIS-KZNAEPCWSA-N 1 0 460.589 3.362 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC001305113137 1068188700 /nfs/dbraw/zinc/18/87/00/1068188700.db2.gz MGATUQLQFPPDGK-IRXDYDNUSA-N 1 0 473.572 3.481 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2cnn(C)c2)C[C@@H](C)O1 ZINC001305113130 1068188735 /nfs/dbraw/zinc/18/87/35/1068188735.db2.gz SAHYRGBENBGKBJ-QZTJIDSGSA-N 1 0 487.599 3.405 20 0 JGADRO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305113501 1068190034 /nfs/dbraw/zinc/19/00/34/1068190034.db2.gz PBNGWAQRSGFSFW-OALUTQOASA-N 1 0 477.675 3.329 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCS[C@H](C)[C@@H]2C)C[C@H](C)O1 ZINC001305114495 1068192367 /nfs/dbraw/zinc/19/23/67/1068192367.db2.gz YOLBEAKADHBOGL-ZGXWSNOMSA-N 1 0 458.676 3.482 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@@H](C)O1 ZINC001305114485 1068192544 /nfs/dbraw/zinc/19/25/44/1068192544.db2.gz YMNWGNCMWCBBKJ-BHDDXSALSA-N 1 0 482.673 3.008 20 0 JGADRO C[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001303662998 1068193992 /nfs/dbraw/zinc/19/39/92/1068193992.db2.gz JUAYGMJUPMUGLM-OALUTQOASA-N 1 0 462.664 3.003 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@@H](C)O1 ZINC001305115650 1068194504 /nfs/dbraw/zinc/19/45/04/1068194504.db2.gz ZGZHARQYGFPUHS-FGZHOGPDSA-N 1 0 499.704 3.023 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[NH+]1CCCCC1 ZINC001305116410 1068195585 /nfs/dbraw/zinc/19/55/85/1068195585.db2.gz RFPUUOCCVLXWFA-HNNXBMFYSA-N 1 0 451.402 3.405 20 0 JGADRO C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC001303664366 1068196732 /nfs/dbraw/zinc/19/67/32/1068196732.db2.gz UUEOKCCHAKRCOC-YPAWHYETSA-N 1 0 488.702 3.394 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)c2ccccc2)CC1 ZINC001303665853 1068199265 /nfs/dbraw/zinc/19/92/65/1068199265.db2.gz APJMUYXSNXDRDI-IRLDBZIGSA-N 1 0 459.660 3.295 20 0 JGADRO C[C@@H](CCn1c(CCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC001303666435 1068200066 /nfs/dbraw/zinc/20/00/66/1068200066.db2.gz KNNPTHUOTCRHNO-NRFANRHFSA-N 1 0 473.687 3.341 20 0 JGADRO C[C@@H](CCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCCCC1 ZINC001303666357 1068200071 /nfs/dbraw/zinc/20/00/71/1068200071.db2.gz CQDGQQMLOBAZEA-FQEVSTJZSA-N 1 0 461.614 3.264 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N(C)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC001303666662 1068200439 /nfs/dbraw/zinc/20/04/39/1068200439.db2.gz DWCOMSWFPKXGLZ-URVUXULASA-N 1 0 454.619 3.097 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303666802 1068200858 /nfs/dbraw/zinc/20/08/58/1068200858.db2.gz MDFVWTRYBMOBAH-LWYYNNOASA-N 1 0 491.681 3.013 20 0 JGADRO C[C@H](CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001303666904 1068201452 /nfs/dbraw/zinc/20/14/52/1068201452.db2.gz ZVOSBZIKWLTHEU-QZTJIDSGSA-N 1 0 468.572 3.016 20 0 JGADRO C[C@H](CCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667387 1068201967 /nfs/dbraw/zinc/20/19/67/1068201967.db2.gz RHUBOOSPOVBUIK-PKTZIBPZSA-N 1 0 487.737 3.363 20 0 JGADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CCN(C)C(=O)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC001303668516 1068202901 /nfs/dbraw/zinc/20/29/01/1068202901.db2.gz NAENKWFRGIQPGF-RZUBCFFCSA-N 1 0 454.619 3.097 20 0 JGADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC001303668514 1068202996 /nfs/dbraw/zinc/20/29/96/1068202996.db2.gz NAENKWFRGIQPGF-KCZVDYSFSA-N 1 0 454.619 3.097 20 0 JGADRO C[C@@H](CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCCCC1 ZINC001303668593 1068203036 /nfs/dbraw/zinc/20/30/36/1068203036.db2.gz NXJMKLZNWYOXOE-SIKLNZKXSA-N 1 0 454.619 3.172 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C)C(=O)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC001303668517 1068203054 /nfs/dbraw/zinc/20/30/54/1068203054.db2.gz NAENKWFRGIQPGF-SJBKTWHCSA-N 1 0 454.619 3.097 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC001303668796 1068203473 /nfs/dbraw/zinc/20/34/73/1068203473.db2.gz PWSDVBFHPFPJOE-UYAOXDASSA-N 1 0 463.623 3.220 20 0 JGADRO C[C@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001303669407 1068203920 /nfs/dbraw/zinc/20/39/20/1068203920.db2.gz TUTSNYNKXFBKFT-QUCCMNQESA-N 1 0 459.038 3.489 20 0 JGADRO C[C@H](CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1)[NH+]1CCCCC1 ZINC001303669616 1068204010 /nfs/dbraw/zinc/20/40/10/1068204010.db2.gz VCTQBHRQRJCBSJ-KNQAVFIVSA-N 1 0 454.619 3.172 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303669967 1068204480 /nfs/dbraw/zinc/20/44/80/1068204480.db2.gz XBDWIGMWNIPFDQ-VAMGGRTRSA-N 1 0 462.639 3.150 20 0 JGADRO C[C@@H](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1)[NH+]1CCCCC1 ZINC001303669959 1068204501 /nfs/dbraw/zinc/20/45/01/1068204501.db2.gz WZPAAZCHYPYIEE-AZUAARDMSA-N 1 0 462.639 3.450 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001305122212 1068205441 /nfs/dbraw/zinc/20/54/41/1068205441.db2.gz MQBOWWFFKQAQNG-VQIMIIECSA-N 1 0 472.590 3.028 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001303671670 1068205902 /nfs/dbraw/zinc/20/59/02/1068205902.db2.gz GKNOZSYOQUOWLI-IBGZPJMESA-N 1 0 469.634 3.375 20 0 JGADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1)[NH+](C)C ZINC001305122893 1068206908 /nfs/dbraw/zinc/20/69/08/1068206908.db2.gz YMLDGEDMKNOAMN-HZPDHXFCSA-N 1 0 475.435 3.350 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001303672289 1068207459 /nfs/dbraw/zinc/20/74/59/1068207459.db2.gz PWSCDCZXLHBWFX-WOJBJXKFSA-N 1 0 484.649 3.303 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001303672288 1068207537 /nfs/dbraw/zinc/20/75/37/1068207537.db2.gz PWSCDCZXLHBWFX-VQTJNVASSA-N 1 0 484.649 3.303 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H](C(F)(F)F)O1 ZINC001305123536 1068208220 /nfs/dbraw/zinc/20/82/20/1068208220.db2.gz GVPVOSYFNZVHSS-BRWVUGGUSA-N 1 0 495.550 3.202 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303672573 1068208470 /nfs/dbraw/zinc/20/84/70/1068208470.db2.gz TWTHEEKFUHUERX-UNMCSNQZSA-N 1 0 499.660 3.144 20 0 JGADRO C[C@@H](CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C[NH+](C)C)c1)c1nccs1 ZINC001303674120 1068211503 /nfs/dbraw/zinc/21/15/03/1068211503.db2.gz JWTHCCIQKBHYJS-SFHVURJKSA-N 1 0 467.643 3.320 20 0 JGADRO C[C@@H](CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001303674758 1068213046 /nfs/dbraw/zinc/21/30/46/1068213046.db2.gz PPEPHZYWLPEWJJ-CYFREDJKSA-N 1 0 456.660 3.191 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001303675482 1068214381 /nfs/dbraw/zinc/21/43/81/1068214381.db2.gz UCSWWDCNYIGPEU-FQEVSTJZSA-N 1 0 483.661 3.299 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCC2)CCS1 ZINC001305131089 1068216037 /nfs/dbraw/zinc/21/60/37/1068216037.db2.gz BSYRJHKIUMSXEF-CQSZACIVSA-N 1 0 453.454 3.472 20 0 JGADRO C[C@H](CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC001303681433 1068217246 /nfs/dbraw/zinc/21/72/46/1068217246.db2.gz AQNPLFPWODBCJG-OPAMFIHVSA-N 1 0 477.034 3.274 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305132800 1068218813 /nfs/dbraw/zinc/21/88/13/1068218813.db2.gz JVNPIBWWHDFCHQ-BNDYYXHWSA-N 1 0 461.582 3.018 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCC(=O)N(C)C ZINC001305133999 1068221185 /nfs/dbraw/zinc/22/11/85/1068221185.db2.gz OAXHNXYTJZCVJL-OALUTQOASA-N 1 0 472.609 3.346 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001303683930 1068221409 /nfs/dbraw/zinc/22/14/09/1068221409.db2.gz GZMFLBZSICOONG-LJQANCHMSA-N 1 0 458.582 3.041 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCCO[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305134971 1068223251 /nfs/dbraw/zinc/22/32/51/1068223251.db2.gz GSZKIVTYRDCZFP-RBUKOAKNSA-N 1 0 461.582 3.019 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001305135412 1068223678 /nfs/dbraw/zinc/22/36/78/1068223678.db2.gz HALDKKSBPQIUAV-WMLDXEAASA-N 1 0 461.916 3.333 20 0 JGADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001303685864 1068223964 /nfs/dbraw/zinc/22/39/64/1068223964.db2.gz FALAAUYZFLEOIT-QFBILLFUSA-N 1 0 469.977 3.107 20 0 JGADRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@@H]1CCCOC1)[N@H+](C)C1CC1 ZINC001303686611 1068224537 /nfs/dbraw/zinc/22/45/37/1068224537.db2.gz HHUINPNTTAWUDL-HKUYNNGSSA-N 1 0 475.037 3.207 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305136174 1068225825 /nfs/dbraw/zinc/22/58/25/1068225825.db2.gz JDDFUHBVXCIBSG-JKSBSHDWSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305136172 1068225833 /nfs/dbraw/zinc/22/58/33/1068225833.db2.gz JDDFUHBVXCIBSG-DRSNIGMVSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2nccs2)C1)[NH+](C)C ZINC001303691210 1068230673 /nfs/dbraw/zinc/23/06/73/1068230673.db2.gz BWAAWNFIMQKTKI-CZUORRHYSA-N 1 0 480.436 3.031 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)[NH+](C)C)CC1)C(F)(F)F ZINC001303692046 1068232752 /nfs/dbraw/zinc/23/27/52/1068232752.db2.gz OQFKUJQWPKRQGP-DLBZAZTESA-N 1 0 476.551 3.358 20 0 JGADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC001305140212 1068234096 /nfs/dbraw/zinc/23/40/96/1068234096.db2.gz YZIJMSPVEUAISB-UFYCRDLUSA-N 1 0 474.675 3.003 20 0 JGADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H]1c1nncn1C)[NH+](C)C ZINC001303692568 1068234692 /nfs/dbraw/zinc/23/46/92/1068234692.db2.gz ZDCTVNJOKOPGDJ-GUYCJALGSA-N 1 0 477.386 3.267 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001303693641 1068236584 /nfs/dbraw/zinc/23/65/84/1068236584.db2.gz ATKZKJBPTBSWQI-DLBZAZTESA-N 1 0 459.545 3.299 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[NH+](C)C ZINC001303695203 1068237824 /nfs/dbraw/zinc/23/78/24/1068237824.db2.gz SETIRQTUAQTZFF-MRXNPFEDSA-N 1 0 488.423 3.446 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)C2)C1 ZINC001305141930 1068237933 /nfs/dbraw/zinc/23/79/33/1068237933.db2.gz CAXOETXLMLMFHJ-RTBURBONSA-N 1 0 477.700 3.411 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303696210 1068239737 /nfs/dbraw/zinc/23/97/37/1068239737.db2.gz MSTALUPFWBSDPG-KBPBESRZSA-N 1 0 481.464 3.214 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303698687 1068241512 /nfs/dbraw/zinc/24/15/12/1068241512.db2.gz FDAKIHSMZNNVFC-NHCUHLMSSA-N 1 0 484.645 3.359 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[NH+]2CCCC2)C[C@H](C)S1 ZINC001305144575 1068244525 /nfs/dbraw/zinc/24/45/25/1068244525.db2.gz QBWSAEAPIYPMLR-OALUTQOASA-N 1 0 492.715 3.012 20 0 JGADRO C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001303701970 1068246485 /nfs/dbraw/zinc/24/64/85/1068246485.db2.gz YRMJYWRIPXNZRR-ZLNRFVROSA-N 1 0 477.657 3.406 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC001305145815 1068247070 /nfs/dbraw/zinc/24/70/70/1068247070.db2.gz JFOVLLYTARXENR-FVJLSDCUSA-N 1 0 493.027 3.294 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)N(C)C(=O)OC(C)(C)C ZINC001303703071 1068247057 /nfs/dbraw/zinc/24/70/57/1068247057.db2.gz KAPNLDYNXQLJNW-CEXWTWQISA-N 1 0 457.623 3.212 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](CC2CC2)[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303703505 1068248258 /nfs/dbraw/zinc/24/82/58/1068248258.db2.gz RKGKIRDDVVNVQO-DFQSSKMNSA-N 1 0 471.650 3.363 20 0 JGADRO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[NH+](C)C ZINC001303703840 1068248975 /nfs/dbraw/zinc/24/89/75/1068248975.db2.gz CJFFXBCBADDDDB-SFHVURJKSA-N 1 0 468.675 3.366 20 0 JGADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC001303705454 1068250096 /nfs/dbraw/zinc/25/00/96/1068250096.db2.gz MVNQRGFWAAGWJJ-CEXWTWQISA-N 1 0 458.632 3.052 20 0 JGADRO C[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303706367 1068250716 /nfs/dbraw/zinc/25/07/16/1068250716.db2.gz ZINJLUUGXXWQCK-ZWKOTPCHSA-N 1 0 467.618 3.490 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CC[N@@H+](C2CCC2)C1 ZINC001305148458 1068251551 /nfs/dbraw/zinc/25/15/51/1068251551.db2.gz YRSILVKSNQBCFB-QGZVFWFLSA-N 1 0 466.001 3.447 20 0 JGADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001303708401 1068254419 /nfs/dbraw/zinc/25/44/19/1068254419.db2.gz PHOCBZSEQPLMQP-FPOVZHCZSA-N 1 0 492.628 3.359 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001303708400 1068254679 /nfs/dbraw/zinc/25/46/79/1068254679.db2.gz PHOCBZSEQPLMQP-CTNGQTDRSA-N 1 0 492.628 3.359 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001303708930 1068255046 /nfs/dbraw/zinc/25/50/46/1068255046.db2.gz SEGRBVWJQIWHEG-RBUKOAKNSA-N 1 0 490.578 3.272 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCOCC[NH+](C)C)Cc2ccccc2O1 ZINC001305150430 1068255801 /nfs/dbraw/zinc/25/58/01/1068255801.db2.gz LCTHLKHKIJEGSW-KRWDZBQOSA-N 1 0 456.978 3.359 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001305150422 1068255810 /nfs/dbraw/zinc/25/58/10/1068255810.db2.gz KVRRGFMYPYWNLG-OXQOHEQNSA-N 1 0 478.519 3.228 20 0 JGADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC001303709717 1068256200 /nfs/dbraw/zinc/25/62/00/1068256200.db2.gz WRYJAJDXJYXUIB-KXBFYZLASA-N 1 0 461.492 3.282 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCSCC2)C[C@H](C(F)(F)F)O1 ZINC001305152813 1068260028 /nfs/dbraw/zinc/26/00/28/1068260028.db2.gz VESUJOTUJHRVFP-WMLDXEAASA-N 1 0 459.513 3.289 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F)[N@H+](C)C1CC1 ZINC001303714345 1068260222 /nfs/dbraw/zinc/26/02/22/1068260222.db2.gz YEBNPRWJSOAKCF-KDOFPFPSSA-N 1 0 450.509 3.367 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303715114 1068260991 /nfs/dbraw/zinc/26/09/91/1068260991.db2.gz AHOIYFILPXKFHK-NJYVYQBISA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303715546 1068261778 /nfs/dbraw/zinc/26/17/78/1068261778.db2.gz DCEIGEHLVKADRS-FPOVZHCZSA-N 1 0 480.579 3.377 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)[NH+](C)C ZINC001303716160 1068263908 /nfs/dbraw/zinc/26/39/08/1068263908.db2.gz GDDJXKZNGIFYNP-YVWKXTFCSA-N 1 0 465.545 3.302 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303716658 1068264310 /nfs/dbraw/zinc/26/43/10/1068264310.db2.gz GKZQJOJJUGGYBK-PKOBYXMFSA-N 1 0 450.628 3.211 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1)[NH+](C)C ZINC001303717075 1068265193 /nfs/dbraw/zinc/26/51/93/1068265193.db2.gz ITJCUIRJCZRWQS-HSALFYBXSA-N 1 0 462.664 3.041 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC([NH+]2CCCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303717470 1068265816 /nfs/dbraw/zinc/26/58/16/1068265816.db2.gz MSEZZKLWJCSOEJ-UXHICEINSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC001305158028 1068266911 /nfs/dbraw/zinc/26/69/11/1068266911.db2.gz PFOLTJUQEKJDRV-LJQANCHMSA-N 1 0 452.628 3.465 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC001305158321 1068266937 /nfs/dbraw/zinc/26/69/37/1068266937.db2.gz OKHNQTXPXIZFRF-PMACEKPBSA-N 1 0 450.587 3.137 20 0 JGADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001303721827 1068271185 /nfs/dbraw/zinc/27/11/85/1068271185.db2.gz IEPYOLJLCDYVQT-CTNGQTDRSA-N 1 0 459.660 3.295 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCCC[NH+]2CCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305163260 1068271497 /nfs/dbraw/zinc/27/14/97/1068271497.db2.gz DPXWOJGBIWJOHK-HKUYNNGSSA-N 1 0 469.556 3.491 20 0 JGADRO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001305163797 1068272961 /nfs/dbraw/zinc/27/29/61/1068272961.db2.gz IMHHPLAJGGCURR-RBUKOAKNSA-N 1 0 484.649 3.207 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305163971 1068273113 /nfs/dbraw/zinc/27/31/13/1068273113.db2.gz CFOOREBBZFJOGG-LJQANCHMSA-N 1 0 484.649 3.303 20 0 JGADRO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001303724077 1068275039 /nfs/dbraw/zinc/27/50/39/1068275039.db2.gz WQISOVVXUJNJII-IFMALSPDSA-N 1 0 489.686 3.204 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001303724949 1068276921 /nfs/dbraw/zinc/27/69/21/1068276921.db2.gz QOYYLBJSFBJSPK-XLIONFOSSA-N 1 0 476.597 3.312 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CC3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCN1CC(F)(F)F ZINC001305169842 1068279740 /nfs/dbraw/zinc/27/97/40/1068279740.db2.gz XHYLVHKSXGMCPV-GOSISDBHSA-N 1 0 480.579 3.411 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303728833 1068282924 /nfs/dbraw/zinc/28/29/24/1068282924.db2.gz VMMWDALOVXSXMQ-PXNSSMCTSA-N 1 0 460.598 3.452 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC2([NH+](C)C)CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305170819 1068282925 /nfs/dbraw/zinc/28/29/25/1068282925.db2.gz AFFUOEJZRMBYNN-GUDVDZBRSA-N 1 0 462.639 3.353 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1)[NH+](C)C ZINC001303728773 1068283459 /nfs/dbraw/zinc/28/34/59/1068283459.db2.gz PYIXDNWZSBUXMX-IBGZPJMESA-N 1 0 462.602 3.005 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[N@H+](C)C1CC1 ZINC001303731223 1068286140 /nfs/dbraw/zinc/28/61/40/1068286140.db2.gz IUPSPCQDSLXNNJ-UPTQXZAWSA-N 1 0 452.628 3.120 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305173708 1068286132 /nfs/dbraw/zinc/28/61/32/1068286132.db2.gz FKFDFCRJCMATSZ-KURKYZTESA-N 1 0 459.557 3.450 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001303732753 1068288794 /nfs/dbraw/zinc/28/87/94/1068288794.db2.gz WWRHPSARNBZBJY-FPOVZHCZSA-N 1 0 469.634 3.194 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305176364 1068288800 /nfs/dbraw/zinc/28/88/00/1068288800.db2.gz AGNIUNXSOJUQMP-OALUTQOASA-N 1 0 464.655 3.206 20 0 JGADRO C[C@H](Cn1c(CC2CC2)nnc1N1CC[NH+](CC2CCOCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303733265 1068289416 /nfs/dbraw/zinc/28/94/16/1068289416.db2.gz SSWDVFCLTAIASP-LJQANCHMSA-N 1 0 476.666 3.035 20 0 JGADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CCOc2ccccc2)CC1)[NH+](C)C ZINC001303733517 1068289574 /nfs/dbraw/zinc/28/95/74/1068289574.db2.gz XIBBYQVAQAPSMZ-HXUWFJFHSA-N 1 0 454.644 3.082 20 0 JGADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1)N1CCOCC1 ZINC001303734121 1068290198 /nfs/dbraw/zinc/29/01/98/1068290198.db2.gz BUCFJOIYBJDVHM-QFIPXVFZSA-N 1 0 454.663 3.095 20 0 JGADRO C[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001303734420 1068290629 /nfs/dbraw/zinc/29/06/29/1068290629.db2.gz IJTKUGYQNFRZQT-GOSISDBHSA-N 1 0 463.552 3.306 20 0 JGADRO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[NH+](C)C ZINC001303734185 1068290681 /nfs/dbraw/zinc/29/06/81/1068290681.db2.gz DCWHWKRICFMFDD-SFHVURJKSA-N 1 0 459.038 3.463 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001305177476 1068291478 /nfs/dbraw/zinc/29/14/78/1068291478.db2.gz GQAZZUPOSMFMNU-HNBVOPMISA-N 1 0 490.674 3.496 20 0 JGADRO C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303734902 1068291933 /nfs/dbraw/zinc/29/19/33/1068291933.db2.gz QXSIIZSEMRSGPT-PZJWPPBQSA-N 1 0 456.635 3.364 20 0 JGADRO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)C1CC1 ZINC001303737104 1068295287 /nfs/dbraw/zinc/29/52/87/1068295287.db2.gz NGRCRVYWUKZDKW-CRAIPNDOSA-N 1 0 484.091 3.330 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)CCO1 ZINC001305181393 1068297991 /nfs/dbraw/zinc/29/79/91/1068297991.db2.gz VSROYAGAJIWPIE-UXHICEINSA-N 1 0 462.639 3.104 20 0 JGADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(=O)c2ccsc2)CC1)[NH+](C)C ZINC001303738612 1068298276 /nfs/dbraw/zinc/29/82/76/1068298276.db2.gz ULIXJLDCKPEELF-QGZVFWFLSA-N 1 0 486.617 3.407 20 0 JGADRO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001303739269 1068299376 /nfs/dbraw/zinc/29/93/76/1068299376.db2.gz YAXRMLXBIOUGPC-FCEWJHQRSA-N 1 0 463.051 3.136 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+](C)C ZINC001303739301 1068299462 /nfs/dbraw/zinc/29/94/62/1068299462.db2.gz YIDNCLIGHQWPAP-HOTGVXAUSA-N 1 0 458.504 3.019 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C(F)(F)F)O1 ZINC001305182637 1068300301 /nfs/dbraw/zinc/30/03/01/1068300301.db2.gz ZHDSWKAOFAQAFY-QFUCXCTJSA-N 1 0 497.562 3.121 20 0 JGADRO C[C@H](Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)NCc1ccc(Cl)cc1)[NH+](C)C ZINC001303743047 1068301995 /nfs/dbraw/zinc/30/19/95/1068301995.db2.gz LHMIFJFRLKZELW-CXAGYDPISA-N 1 0 478.935 3.332 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001303743181 1068302258 /nfs/dbraw/zinc/30/22/58/1068302258.db2.gz AXDAYEALBKQISU-IYWMVGAKSA-N 1 0 475.707 3.487 20 0 JGADRO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@H]1NC(=O)OC(C)(C)C ZINC001305184723 1068302445 /nfs/dbraw/zinc/30/24/45/1068302445.db2.gz QGNCQKIVQFKJIP-HSALFYBXSA-N 1 0 478.682 3.063 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1)C[NH+]1CCCC1 ZINC001303743365 1068302480 /nfs/dbraw/zinc/30/24/80/1068302480.db2.gz APPZTXPVIDCIHM-RBBKRZOGSA-N 1 0 499.660 3.350 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303743638 1068302895 /nfs/dbraw/zinc/30/28/95/1068302895.db2.gz CAFICMRFWBAYAI-GOSISDBHSA-N 1 0 468.543 3.424 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](C)C[NH+]1CCCC1 ZINC001303744078 1068303512 /nfs/dbraw/zinc/30/35/12/1068303512.db2.gz GBPKXZATTFNXHC-LJQANCHMSA-N 1 0 451.619 3.130 20 0 JGADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)CC1)C[NH+]1CCCC1 ZINC001303744217 1068304168 /nfs/dbraw/zinc/30/41/68/1068304168.db2.gz BZIHHXIUTGTFNR-MSOLQXFVSA-N 1 0 461.010 3.130 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC001303744354 1068304400 /nfs/dbraw/zinc/30/44/00/1068304400.db2.gz HINUXJAISMVTOK-SQNIBIBYSA-N 1 0 481.613 3.388 20 0 JGADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)C[C@H]1C)C[NH+]1CCCC1 ZINC001303744846 1068305308 /nfs/dbraw/zinc/30/53/08/1068305308.db2.gz DYDHFDSZAMCNRI-JKSUJKDBSA-N 1 0 493.425 3.246 20 0 JGADRO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2(CS(C)(=O)=O)CC2)CC[N@@H+](C2CCC2)C1 ZINC001305186850 1068305587 /nfs/dbraw/zinc/30/55/87/1068305587.db2.gz RXCOLLUWVXXGQZ-SFHVURJKSA-N 1 0 451.681 3.002 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303745038 1068305553 /nfs/dbraw/zinc/30/55/53/1068305553.db2.gz KUHMEUPGJYVFMO-CEXWTWQISA-N 1 0 458.573 3.324 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1)C[NH+]1CCCC1 ZINC001303745289 1068306225 /nfs/dbraw/zinc/30/62/25/1068306225.db2.gz NBUIYZMRPBSIAU-SJLPKXTDSA-N 1 0 484.041 3.341 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC001303745854 1068306448 /nfs/dbraw/zinc/30/64/48/1068306448.db2.gz PXRPSKWJVXFDPA-ZIFCJYIRSA-N 1 0 452.525 3.152 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001303745718 1068306521 /nfs/dbraw/zinc/30/65/21/1068306521.db2.gz PNWPIQQFFRLIQJ-NHCUHLMSSA-N 1 0 483.661 3.441 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001305187906 1068306807 /nfs/dbraw/zinc/30/68/07/1068306807.db2.gz GBPXLWPNCJDTCY-UGKGYDQZSA-N 1 0 489.064 3.080 20 0 JGADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303746289 1068306862 /nfs/dbraw/zinc/30/68/62/1068306862.db2.gz QAJMZMOGNUPOOX-KRWDZBQOSA-N 1 0 456.557 3.415 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001303746473 1068307336 /nfs/dbraw/zinc/30/73/36/1068307336.db2.gz UDMBIRZEWCBFKT-LEWJYISDSA-N 1 0 483.661 3.441 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(F)(F)C1)C[NH+]1CCCC1 ZINC001303746738 1068308024 /nfs/dbraw/zinc/30/80/24/1068308024.db2.gz VBXLTMKOWSILRQ-ZWKOTPCHSA-N 1 0 484.592 3.164 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001303747240 1068308195 /nfs/dbraw/zinc/30/81/95/1068308195.db2.gz VMJPHPSZTGIOAS-SYYKKAFVSA-N 1 0 460.667 3.128 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC(=O)N1C ZINC001305188608 1068308415 /nfs/dbraw/zinc/30/84/15/1068308415.db2.gz PPYCWWMCQSSUQY-GOSISDBHSA-N 1 0 459.038 3.454 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303747196 1068308396 /nfs/dbraw/zinc/30/83/96/1068308396.db2.gz ZJZLGPRRXOSRRU-WOJBJXKFSA-N 1 0 486.665 3.152 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)CC(C)(C)C1 ZINC001305188499 1068308479 /nfs/dbraw/zinc/30/84/79/1068308479.db2.gz ZKZHQMYINUPMLF-WOJBJXKFSA-N 1 0 494.681 3.037 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303747202 1068308892 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/nfs/dbraw/zinc/36/12/40/1068361240.db2.gz LNSPWXUPEXESQR-LJQANCHMSA-N 1 0 461.680 3.250 20 0 JGADRO C[C@@H]1C[N@H+](CCCn2c(CCc3ccccc3)nnc2N(C)C[C@H]2CCCOC2)CCCO1 ZINC001305221705 1068361442 /nfs/dbraw/zinc/36/14/42/1068361442.db2.gz LDTRNTRYULKFRH-ISKFKSNPSA-N 1 0 455.647 3.427 20 0 JGADRO C[C@@H]1C[NH+](CCCn2c(COc3ccccc3F)nnc2N2CCSC[C@@H]2C)C[C@@H](C)O1 ZINC001305222108 1068362106 /nfs/dbraw/zinc/36/21/06/1068362106.db2.gz NARQFAXCNCHAGU-IPMKNSEASA-N 1 0 463.623 3.437 20 0 JGADRO C[C@H]1C[N@H+](CCCn2c(N3CCC(N4CCCCC4=O)CC3)nnc2C(C)(C)C)CCCO1 ZINC001305222312 1068362200 /nfs/dbraw/zinc/36/22/00/1068362200.db2.gz NUWVMPXDANXPQL-FQEVSTJZSA-N 1 0 460.667 3.058 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2Cl)n1CC(=O)N(C)C ZINC001305222328 1068362620 /nfs/dbraw/zinc/36/26/20/1068362620.db2.gz KAUYSCWMHFVZFK-ZFWWWQNUSA-N 1 0 481.826 3.122 20 0 JGADRO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001305222538 1068362720 /nfs/dbraw/zinc/36/27/20/1068362720.db2.gz PHHPXKCPROEXFN-OALUTQOASA-N 1 0 490.599 3.377 20 0 JGADRO C[C@H]1C[NH+](CCCn2c(N(C)Cc3nc4ccsc4c(=O)[nH]3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305222583 1068362740 /nfs/dbraw/zinc/36/27/40/1068362740.db2.gz PMPINRIXUUHCAR-HOTGVXAUSA-N 1 0 473.647 3.422 20 0 JGADRO C[C@@H]1C[N@@H+](CCCn2c(N(C)Cc3cnn(-c4ccccc4)n3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305222433 1068362935 /nfs/dbraw/zinc/36/29/35/1068362935.db2.gz OXBXHZAVXKCZGH-BGYRXZFFSA-N 1 0 466.634 3.292 20 0 JGADRO C[C@@H]1C[NH+](CCCn2c(N(C)Cc3cnn(-c4ccccc4)n3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305222435 1068362969 /nfs/dbraw/zinc/36/29/69/1068362969.db2.gz OXBXHZAVXKCZGH-WOJBJXKFSA-N 1 0 466.634 3.292 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001303783169 1068363391 /nfs/dbraw/zinc/36/33/91/1068363391.db2.gz OXPBMXJGSDPYCL-UHFFFAOYSA-N 1 0 460.573 3.481 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cc(Br)cn2C)n1CCCOC(F)F ZINC001305223596 1068364697 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/nfs/dbraw/zinc/36/65/48/1068366548.db2.gz RIEHKCHHARZBOL-UHFFFAOYSA-N 1 0 450.456 3.410 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1)C(F)(F)F ZINC001303787056 1068367656 /nfs/dbraw/zinc/36/76/56/1068367656.db2.gz AQYZBJISOUAQIU-GOSISDBHSA-N 1 0 467.584 3.478 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1)C(F)(F)F ZINC001303787059 1068367781 /nfs/dbraw/zinc/36/77/81/1068367781.db2.gz AQYZBJISOUAQIU-SFHVURJKSA-N 1 0 467.584 3.478 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001305225063 1068368245 /nfs/dbraw/zinc/36/82/45/1068368245.db2.gz SVNOFZNDNYPRSH-GUDVDZBRSA-N 1 0 462.639 3.496 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCCCCC2)CC1)C(F)(F)F ZINC001303787273 1068368344 /nfs/dbraw/zinc/36/83/44/1068368344.db2.gz DGMKOPBYIWENBS-SFHVURJKSA-N 1 0 451.541 3.289 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CCCCNC(=O)OC(C)(C)C ZINC001305225024 1068368359 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/nfs/dbraw/zinc/37/34/14/1068373414.db2.gz AGLNPLTWFQVOJG-GOSISDBHSA-N 1 0 462.639 3.102 20 0 JGADRO C[C@H](N1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCCC3)CCOCC2)CC1)C(F)(F)F ZINC001303789818 1068373453 /nfs/dbraw/zinc/37/34/53/1068373453.db2.gz RNPPRSZTQKKTKH-SFHVURJKSA-N 1 0 472.600 3.293 20 0 JGADRO C[C@@H](N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1)C(F)(F)F ZINC001303791935 1068375061 /nfs/dbraw/zinc/37/50/61/1068375061.db2.gz BHEMLJJUFBYDDX-LJQANCHMSA-N 1 0 479.595 3.459 20 0 JGADRO C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1)C(F)(F)F ZINC001303792778 1068376894 /nfs/dbraw/zinc/37/68/94/1068376894.db2.gz LRLIWBUZCHJWON-LJQANCHMSA-N 1 0 485.643 3.110 20 0 JGADRO C[C@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305231543 1068377619 /nfs/dbraw/zinc/37/76/19/1068377619.db2.gz WMYGUIVGCFERSI-AVRDEDQJSA-N 1 0 475.659 3.084 20 0 JGADRO C[C@H]1COCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001305233288 1068379381 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/nfs/dbraw/zinc/38/76/61/1068387661.db2.gz RHZXBZUXXFSNNY-RBUKOAKNSA-N 1 0 480.679 3.014 20 0 JGADRO C[C@@H]1N(c2nnc(-c3ccccc3Br)n2CCOCC[NH+](C)C)CCOC1(C)C ZINC001305240435 1068390274 /nfs/dbraw/zinc/39/02/74/1068390274.db2.gz HNRBXMZEDICUNR-INIZCTEOSA-N 1 0 466.424 3.290 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001303799130 1068391609 /nfs/dbraw/zinc/39/16/09/1068391609.db2.gz SBXUBGQAYLWQJC-SLFFLAALSA-N 1 0 478.682 3.499 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC001303799105 1068391919 /nfs/dbraw/zinc/39/19/19/1068391919.db2.gz RYVBRIGQLWYNSR-LJQANCHMSA-N 1 0 499.685 3.263 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001303800487 1068395136 /nfs/dbraw/zinc/39/51/36/1068395136.db2.gz YUQYWJJZGQLQFU-MOPGFXCFSA-N 1 0 472.638 3.205 20 0 JGADRO C[C@H]1N(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCOC1(C)C ZINC001305243698 1068396179 /nfs/dbraw/zinc/39/61/79/1068396179.db2.gz OTVXNKOUCRILAK-IEBWSBKVSA-N 1 0 474.675 3.394 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCCC2)CC1 ZINC001303800990 1068396183 /nfs/dbraw/zinc/39/61/83/1068396183.db2.gz ZIPPVMXNQMRNND-UYAOXDASSA-N 1 0 462.639 3.007 20 0 JGADRO C[C@@H]1N(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCOCC2)CCOC1(C)C ZINC001305244571 1068397153 /nfs/dbraw/zinc/39/71/53/1068397153.db2.gz VAKMBEJVKQSKRH-SFHVURJKSA-N 1 0 461.582 3.111 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCOCC[NH+](C)C)C1 ZINC001303801456 1068397543 /nfs/dbraw/zinc/39/75/43/1068397543.db2.gz WHZUILASKXUOOV-RBUKOAKNSA-N 1 0 466.671 3.283 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1)c1ccccc1 ZINC001303802803 1068399538 /nfs/dbraw/zinc/39/95/38/1068399538.db2.gz DJXBGJKBECFCNQ-MJGOQNOKSA-N 1 0 488.683 3.403 20 0 JGADRO C[C@H](c1ccccc1F)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303802787 1068399564 /nfs/dbraw/zinc/39/95/64/1068399564.db2.gz DECUIELZEWBRBI-GBESFXJTSA-N 1 0 480.654 3.489 20 0 JGADRO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001303802851 1068400007 /nfs/dbraw/zinc/40/00/07/1068400007.db2.gz DYXWJDYMXCYRNH-FVJLSDCUSA-N 1 0 498.644 3.484 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001303802852 1068400013 /nfs/dbraw/zinc/40/00/13/1068400013.db2.gz DYXWJDYMXCYRNH-XGHQBKJUSA-N 1 0 498.644 3.484 20 0 JGADRO C[C@@H]1N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCC2)CCOC1(C)C ZINC001305246622 1068400502 /nfs/dbraw/zinc/40/05/02/1068400502.db2.gz ZYPLDUHYMUGRHK-IBGZPJMESA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 ZINC001303803311 1068401923 /nfs/dbraw/zinc/40/19/23/1068401923.db2.gz LSDYDCRYJGTIIH-GOSISDBHSA-N 1 0 474.675 3.051 20 0 JGADRO C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305248194 1068404471 /nfs/dbraw/zinc/40/44/71/1068404471.db2.gz BHUVDPGGYAIIRH-CLOONOSVSA-N 1 0 475.609 3.094 20 0 JGADRO C[C@H]1OCC[C@]1(O)Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305249563 1068407914 /nfs/dbraw/zinc/40/79/14/1068407914.db2.gz KDJHOKUDXVZTNU-RLWLMLJZSA-N 1 0 455.647 3.304 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001303805243 1068408017 /nfs/dbraw/zinc/40/80/17/1068408017.db2.gz YFCLCBJXDYWNGY-SZMVWBNQSA-N 1 0 480.535 3.126 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2CCCCC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001303805591 1068408915 /nfs/dbraw/zinc/40/89/15/1068408915.db2.gz FYBUYEXHIHBGBM-HKUYNNGSSA-N 1 0 464.636 3.087 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCC[NH+](C)C ZINC001305255659 1068418693 /nfs/dbraw/zinc/41/86/93/1068418693.db2.gz NWYTTYYPJZNIAJ-MOPGFXCFSA-N 1 0 496.722 3.301 20 0 JGADRO C[C@@H]1SCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCC[NH+](C)C)[C@H]1C ZINC001305255660 1068418765 /nfs/dbraw/zinc/41/87/65/1068418765.db2.gz NWYTTYYPJZNIAJ-OALUTQOASA-N 1 0 496.722 3.301 20 0 JGADRO C[C@@H]1SCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[NH+]2CCCCC2)[C@H]1C ZINC001305256796 1068419906 /nfs/dbraw/zinc/41/99/06/1068419906.db2.gz RSRTYODTOMCWJT-OALUTQOASA-N 1 0 492.715 3.012 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303812487 1068422994 /nfs/dbraw/zinc/42/29/94/1068422994.db2.gz ZDUFGBVGXSYFMK-APWZRJJASA-N 1 0 483.082 3.299 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303812504 1068423061 /nfs/dbraw/zinc/42/30/61/1068423061.db2.gz ZGKQIRWPRKCKLS-IIBYNOLFSA-N 1 0 498.644 3.313 20 0 JGADRO C[C@H]1SCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001305258948 1068425061 /nfs/dbraw/zinc/42/50/61/1068425061.db2.gz YCBUVIJIDHIELI-WOJBJXKFSA-N 1 0 456.660 3.366 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)CCOCC1 ZINC001305259467 1068425522 /nfs/dbraw/zinc/42/55/22/1068425522.db2.gz YIRRCYIFSKEYAS-CVEARBPZSA-N 1 0 451.040 3.435 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001305260942 1068428637 /nfs/dbraw/zinc/42/86/37/1068428637.db2.gz CLIBWCMYZTZRGL-GOSISDBHSA-N 1 0 493.027 3.343 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001303817850 1068430878 /nfs/dbraw/zinc/43/08/78/1068430878.db2.gz UCENLLVKCUTFOF-HKUYNNGSSA-N 1 0 480.704 3.413 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001305261625 1068431295 /nfs/dbraw/zinc/43/12/95/1068431295.db2.gz FENGYQIERVKTSS-GHTZIAJQSA-N 1 0 475.037 3.062 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCCC2)C1 ZINC001305262445 1068434070 /nfs/dbraw/zinc/43/40/70/1068434070.db2.gz BJQXBTUNKFPVJD-QUCCMNQESA-N 1 0 458.582 3.148 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001305264169 1068440502 /nfs/dbraw/zinc/44/05/02/1068440502.db2.gz KORGTVNQLNOCSU-NZQKXSOJSA-N 1 0 479.629 3.090 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305265720 1068446803 /nfs/dbraw/zinc/44/68/03/1068446803.db2.gz MPCIHMHDOIVUBG-VQTJNVASSA-N 1 0 484.645 3.189 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303828397 1068449008 /nfs/dbraw/zinc/44/90/08/1068449008.db2.gz VMSOPLFZLSDFLW-GBESFXJTSA-N 1 0 460.648 3.234 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccccc3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303828491 1068449698 /nfs/dbraw/zinc/44/96/98/1068449698.db2.gz AUQFUWPRCGLZJE-TZIWHRDSSA-N 1 0 474.675 3.147 20 0 JGADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303829256 1068452161 /nfs/dbraw/zinc/45/21/61/1068452161.db2.gz RDSKSBHJEVIOLO-OALUTQOASA-N 1 0 462.664 3.035 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1)[NH+]1CCCC1 ZINC001303829315 1068452199 /nfs/dbraw/zinc/45/21/99/1068452199.db2.gz DDXQORTUKAWTJU-HSALFYBXSA-N 1 0 466.696 3.025 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001303829967 1068453377 /nfs/dbraw/zinc/45/33/77/1068453377.db2.gz GCFBOPCEZJLVPQ-NPDDRXJXSA-N 1 0 492.665 3.127 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001303830033 1068453458 /nfs/dbraw/zinc/45/34/58/1068453458.db2.gz HFEOOALNHIAQEW-WOJBJXKFSA-N 1 0 488.702 3.405 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001303832414 1068458638 /nfs/dbraw/zinc/45/86/38/1068458638.db2.gz WMEOEIOPBPKFKV-ZCNNSNEGSA-N 1 0 474.675 3.015 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001303832413 1068458801 /nfs/dbraw/zinc/45/88/01/1068458801.db2.gz WMEOEIOPBPKFKV-UFYCRDLUSA-N 1 0 474.675 3.015 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1)C(C)C ZINC001303832636 1068459185 /nfs/dbraw/zinc/45/91/85/1068459185.db2.gz XXVAXMBUWTVREW-RTBURBONSA-N 1 0 454.685 3.024 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305269091 1068459976 /nfs/dbraw/zinc/45/99/76/1068459976.db2.gz TXOKKTFJMZSEFA-PMACEKPBSA-N 1 0 453.635 3.346 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305269094 1068460108 /nfs/dbraw/zinc/46/01/08/1068460108.db2.gz TXOKKTFJMZSEFA-WOJBJXKFSA-N 1 0 453.635 3.346 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(C)C)CC1 ZINC001303833261 1068460694 /nfs/dbraw/zinc/46/06/94/1068460694.db2.gz FVPMPMDOZHNKAT-GOSISDBHSA-N 1 0 456.701 3.127 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CC1(C)CC1 ZINC001303834212 1068461995 /nfs/dbraw/zinc/46/19/95/1068461995.db2.gz MOKFSUSNFRPYNE-OALUTQOASA-N 1 0 466.696 3.169 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CC1(C)CC1 ZINC001303834213 1068462047 /nfs/dbraw/zinc/46/20/47/1068462047.db2.gz MOKFSUSNFRPYNE-RBUKOAKNSA-N 1 0 466.696 3.169 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001305270075 1068464205 /nfs/dbraw/zinc/46/42/05/1068464205.db2.gz VWYMVNKMARTLTQ-REWPJTCUSA-N 1 0 461.614 3.356 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[NH+]2CCSCC2)C1 ZINC001305270660 1068466062 /nfs/dbraw/zinc/46/60/62/1068466062.db2.gz QDWYLSXNRMEULC-YADHBBJMSA-N 1 0 470.687 3.364 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001305270776 1068466910 /nfs/dbraw/zinc/46/69/10/1068466910.db2.gz TZAOWZQBUCKJDZ-HSZRJFAPSA-N 1 0 478.645 3.064 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303837644 1068467690 /nfs/dbraw/zinc/46/76/90/1068467690.db2.gz AWEVIJVSQCGNAS-LPHOPBHVSA-N 1 0 498.719 3.037 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001305271661 1068469821 /nfs/dbraw/zinc/46/98/21/1068469821.db2.gz VGDFNQLHHLBLLJ-XZOQPEGZSA-N 1 0 452.647 3.433 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001305272645 1068472099 /nfs/dbraw/zinc/47/20/99/1068472099.db2.gz YBDCEEDVDFTCJL-YADHBBJMSA-N 1 0 456.610 3.377 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001305272642 1068472217 /nfs/dbraw/zinc/47/22/17/1068472217.db2.gz YBDCEEDVDFTCJL-FCHUYYIVSA-N 1 0 456.610 3.377 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001305272884 1068473376 /nfs/dbraw/zinc/47/33/76/1068473376.db2.gz YASLSKGHFSBUJV-UYAOXDASSA-N 1 0 473.691 3.249 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001305272873 1068473474 /nfs/dbraw/zinc/47/34/74/1068473474.db2.gz YASLSKGHFSBUJV-AZUAARDMSA-N 1 0 473.691 3.249 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001305272881 1068473499 /nfs/dbraw/zinc/47/34/99/1068473499.db2.gz YASLSKGHFSBUJV-ICSRJNTNSA-N 1 0 473.691 3.249 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 ZINC001303843720 1068474597 /nfs/dbraw/zinc/47/45/97/1068474597.db2.gz ZRYHGGWTPLENCU-KRWDZBQOSA-N 1 0 488.649 3.024 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1)[NH+]1CCCC1 ZINC001303844833 1068477443 /nfs/dbraw/zinc/47/74/43/1068477443.db2.gz VNQAVQIPVGXQAP-UTKZUKDTSA-N 1 0 495.093 3.225 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303847273 1068481785 /nfs/dbraw/zinc/48/17/85/1068481785.db2.gz VAOQKCVWFDMWKB-SFTDATJTSA-N 1 0 486.686 3.447 20 0 JGADRO Cc1ncoc1-c1ccc(NC(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)cc1 ZINC001303848202 1068482492 /nfs/dbraw/zinc/48/24/92/1068482492.db2.gz KFOMJRFYZHLMPO-UHFFFAOYSA-N 1 0 456.568 3.441 20 0 JGADRO 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CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)SC ZINC001305692213 1069060336 /nfs/dbraw/zinc/06/03/36/1069060336.db2.gz CSUZCFLCCBQWNP-SFHVURJKSA-N 1 0 459.664 3.346 20 0 JGADRO CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001305692630 1069061203 /nfs/dbraw/zinc/06/12/03/1069061203.db2.gz IPQURZFGIWDSTR-DENIHFKCSA-N 1 0 460.667 3.130 20 0 JGADRO CCC(CC)(Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)SC ZINC001305693793 1069064627 /nfs/dbraw/zinc/06/46/27/1069064627.db2.gz AAWLCJMLMIRZPR-FQEVSTJZSA-N 1 0 461.680 3.150 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001305703740 1069087829 /nfs/dbraw/zinc/08/78/29/1069087829.db2.gz AAXOZAONIGTDLX-VDGAXYAQSA-N 1 0 497.566 3.028 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001305703739 1069087840 /nfs/dbraw/zinc/08/78/40/1069087840.db2.gz AAXOZAONIGTDLX-UXPWSPDFSA-N 1 0 497.566 3.028 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)CC1)[NH+](C)C ZINC001305704057 1069089660 /nfs/dbraw/zinc/08/96/60/1069089660.db2.gz JYNRKZMDCZDFOG-OAQYLSRUSA-N 1 0 458.607 3.209 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001305704043 1069089689 /nfs/dbraw/zinc/08/96/89/1069089689.db2.gz JUTGAUGMHRYXND-QFIPXVFZSA-N 1 0 490.096 3.175 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1)[NH+](C)C ZINC001305704974 1069092358 /nfs/dbraw/zinc/09/23/58/1069092358.db2.gz HIRASSKAALIBND-JOCHJYFZSA-N 1 0 470.666 3.026 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCc3ccccc32)C1)[NH+](C)C ZINC001305705060 1069092576 /nfs/dbraw/zinc/09/25/76/1069092576.db2.gz IKUBJIBERXFKPX-WNCULLNHSA-N 1 0 482.673 3.461 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)[NH+]1CCOCC1 ZINC001305705062 1069093075 /nfs/dbraw/zinc/09/30/75/1069093075.db2.gz ILTVDGXMCXBUAF-FCHUYYIVSA-N 1 0 462.683 3.280 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@]2(CCOC2)C1)[NH+](C)C ZINC001305705971 1069094805 /nfs/dbraw/zinc/09/48/05/1069094805.db2.gz SBMHFECBYRNIDR-KNQAVFIVSA-N 1 0 495.466 3.398 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1)[NH+](C)C ZINC001305706547 1069095782 /nfs/dbraw/zinc/09/57/82/1069095782.db2.gz MYRXHDMZMPVKBG-QFIPXVFZSA-N 1 0 482.633 3.335 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1)[NH+]1CCOCC1 ZINC001305706522 1069095842 /nfs/dbraw/zinc/09/58/42/1069095842.db2.gz WBANUHPSSYRXMW-RPWUZVMVSA-N 1 0 457.619 3.310 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1)[NH+]1CCOCC1 ZINC001305706521 1069095887 /nfs/dbraw/zinc/09/58/87/1069095887.db2.gz WBANUHPSSYRXMW-DNQXCXABSA-N 1 0 457.619 3.310 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1)[NH+](C)C ZINC001305706736 1069096284 /nfs/dbraw/zinc/09/62/84/1069096284.db2.gz PBCFDCHWRDWWSN-VQIMIIECSA-N 1 0 482.720 3.269 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)[NH+](C)C ZINC001305706639 1069096400 /nfs/dbraw/zinc/09/64/00/1069096400.db2.gz OBOSAVWRXCKHPP-OAQYLSRUSA-N 1 0 481.649 3.073 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1)[NH+](C)C ZINC001305706734 1069096468 /nfs/dbraw/zinc/09/64/68/1069096468.db2.gz PBCFDCHWRDWWSN-LPHOPBHVSA-N 1 0 482.720 3.269 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305707263 1069096850 /nfs/dbraw/zinc/09/68/50/1069096850.db2.gz DDODPWOQHWPWGY-NQIIRXRSSA-N 1 0 465.639 3.464 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)[NH+](C)C ZINC001305707266 1069097108 /nfs/dbraw/zinc/09/71/08/1069097108.db2.gz DFWFPEFRZLJIIS-GIVPXCGWSA-N 1 0 454.619 3.035 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(C)C)C1)[NH+](C)C ZINC001305707248 1069098012 /nfs/dbraw/zinc/09/80/12/1069098012.db2.gz RLRUMQLJPPYKKV-PMACEKPBSA-N 1 0 457.623 3.153 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)C)C1)[NH+](C)C ZINC001305707251 1069098063 /nfs/dbraw/zinc/09/80/63/1069098063.db2.gz RLRUMQLJPPYKKV-WOJBJXKFSA-N 1 0 457.623 3.153 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001305707442 1069098455 /nfs/dbraw/zinc/09/84/55/1069098455.db2.gz FSPYPJILMYGDON-ILBGXUMGSA-N 1 0 482.673 3.495 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@H]1C)[NH+](C)C ZINC001305707750 1069098764 /nfs/dbraw/zinc/09/87/64/1069098764.db2.gz TUBIALSCHCEHDZ-DYESRHJHSA-N 1 0 477.053 3.453 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)[NH+](C)C ZINC001305707675 1069098782 /nfs/dbraw/zinc/09/87/82/1069098782.db2.gz ROIZCMUOMQAIAO-RXVVDRJESA-N 1 0 469.638 3.196 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ncccc2F)CC1)[NH+](C)C ZINC001305707662 1069099079 /nfs/dbraw/zinc/09/90/79/1069099079.db2.gz RMMZFINKTCNUNI-JOCHJYFZSA-N 1 0 483.640 3.296 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001305707738 1069099092 /nfs/dbraw/zinc/09/90/92/1069099092.db2.gz SXHNTMSJMWVPKD-CYFREDJKSA-N 1 0 450.672 3.424 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001305708612 1069101221 /nfs/dbraw/zinc/10/12/21/1069101221.db2.gz WOFIWVPMMHEVBS-UGKGYDQZSA-N 1 0 456.635 3.481 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001305708832 1069101877 /nfs/dbraw/zinc/10/18/77/1069101877.db2.gz ZABJGSUIWUTTIL-TZIWHRDSSA-N 1 0 479.633 3.019 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001305708915 1069102123 /nfs/dbraw/zinc/10/21/23/1069102123.db2.gz YWSLTRFBDYDDAJ-CVDCTZTESA-N 1 0 478.645 3.164 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001305708927 1069102595 /nfs/dbraw/zinc/10/25/95/1069102595.db2.gz YWSLTRFBDYDDAJ-XXBNENTESA-N 1 0 478.645 3.164 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1)[NH+](C)C ZINC001305709244 1069103288 /nfs/dbraw/zinc/10/32/88/1069103288.db2.gz BGWRNZNCLYIZMW-IFMALSPDSA-N 1 0 451.623 3.448 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1)[NH+](C)C ZINC001305709618 1069104742 /nfs/dbraw/zinc/10/47/42/1069104742.db2.gz QQZDQWWKFNJKDK-RCZVLFRGSA-N 1 0 493.656 3.201 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](COC)C1)[NH+](C)C ZINC001305709926 1069106127 /nfs/dbraw/zinc/10/61/27/1069106127.db2.gz RZLNJGCQZWLUQR-RTBURBONSA-N 1 0 451.015 3.212 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](OC)C(C)(C)C1)[NH+](C)C ZINC001305710261 1069107215 /nfs/dbraw/zinc/10/72/15/1069107215.db2.gz IOGSSKZFUXBQFB-UYAOXDASSA-N 1 0 460.623 3.233 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](OC)C(C)(C)C1)[NH+](C)C ZINC001305710104 1069107303 /nfs/dbraw/zinc/10/73/03/1069107303.db2.gz HLMXNSSYQKBYOR-VXKWHMMOSA-N 1 0 495.672 3.420 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001305710726 1069108354 /nfs/dbraw/zinc/10/83/54/1069108354.db2.gz IIDFYBHGZSCOHI-BWKNWUBXSA-N 1 0 456.610 3.233 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305710699 1069108415 /nfs/dbraw/zinc/10/84/15/1069108415.db2.gz HUFQZSVVIBDRAK-XMMPIXPASA-N 1 0 481.689 3.469 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001305710906 1069108974 /nfs/dbraw/zinc/10/89/74/1069108974.db2.gz XROKSRFXKHWJMC-UPVQGACJSA-N 1 0 498.672 3.196 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1)[NH+](C)C ZINC001305711191 1069110093 /nfs/dbraw/zinc/11/00/93/1069110093.db2.gz ZEXVMXWQKWKDFE-QHCPKHFHSA-N 1 0 456.635 3.379 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001305711344 1069110643 /nfs/dbraw/zinc/11/06/43/1069110643.db2.gz LGSMXEOYUVISNG-DHIUTWEWSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCSC(C)(C)C1)[NH+]1CCOCC1 ZINC001305711599 1069111200 /nfs/dbraw/zinc/11/12/00/1069111200.db2.gz PKNKCISSKGLROB-HXUWFJFHSA-N 1 0 459.664 3.204 20 0 JGADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001305712094 1069112369 /nfs/dbraw/zinc/11/23/69/1069112369.db2.gz PJPHZJDZYWSEQG-HFZDXXHNSA-N 1 0 487.693 3.192 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001305712866 1069113915 /nfs/dbraw/zinc/11/39/15/1069113915.db2.gz SKKRMVCAJAMVQT-DENIHFKCSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2ccc(F)cc2C1)[NH+](C)C ZINC001305712804 1069113941 /nfs/dbraw/zinc/11/39/41/1069113941.db2.gz CRSGITYKAUPEEY-QFIPXVFZSA-N 1 0 456.610 3.469 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)[NH+](C)C ZINC001305713258 1069114681 /nfs/dbraw/zinc/11/46/81/1069114681.db2.gz FEKZWGYLIFQBRX-UNRHHUQTSA-N 1 0 474.694 3.278 20 0 JGADRO CCC(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001305713303 1069114687 /nfs/dbraw/zinc/11/46/87/1069114687.db2.gz FZWVSVMSKQXEIO-OFVILXPXSA-N 1 0 472.609 3.079 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)[NH+](C)C ZINC001305713470 1069115981 /nfs/dbraw/zinc/11/59/81/1069115981.db2.gz JAXSNSSLXNTVLU-FCHUYYIVSA-N 1 0 461.676 3.491 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(F)cc(F)c2C1)[NH+](C)C ZINC001305713554 1069115997 /nfs/dbraw/zinc/11/59/97/1069115997.db2.gz YFLUBELLXQHVCZ-RTWAWAEBSA-N 1 0 460.573 3.437 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001305713680 1069116435 /nfs/dbraw/zinc/11/64/35/1069116435.db2.gz ZAKUBQFFQSDMBH-HTAPYJJXSA-N 1 0 451.619 3.460 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001305713692 1069116443 /nfs/dbraw/zinc/11/64/43/1069116443.db2.gz ZAKUBQFFQSDMBH-VGSWGCGISA-N 1 0 451.619 3.460 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCOCC1 ZINC001305713982 1069117179 /nfs/dbraw/zinc/11/71/79/1069117179.db2.gz WIAJBUCGVRYQAF-REWPJTCUSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@@H](Cn1c(N2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)nnc1C(C)(C)C)[NH+](C)C ZINC001305714661 1069118495 /nfs/dbraw/zinc/11/84/95/1069118495.db2.gz KGQGQQIYUWYVNB-HSALFYBXSA-N 1 0 472.682 3.446 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305715207 1069119688 /nfs/dbraw/zinc/11/96/88/1069119688.db2.gz LTZSAFULCSRONZ-SJBKTWHCSA-N 1 0 460.667 3.020 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001305715123 1069119724 /nfs/dbraw/zinc/11/97/24/1069119724.db2.gz KQPASFDTAPMENW-JTHBVZDNSA-N 1 0 487.693 3.280 20 0 JGADRO CCC(CC)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)on1 ZINC001305715303 1069120154 /nfs/dbraw/zinc/12/01/54/1069120154.db2.gz KBUQVZIVEZSQEP-KRWDZBQOSA-N 1 0 466.590 3.396 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)[NH+](C)C ZINC001305715391 1069120195 /nfs/dbraw/zinc/12/01/95/1069120195.db2.gz LHYKAKXXJDHIML-XZOQPEGZSA-N 1 0 486.636 3.484 20 0 JGADRO CCC(CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+](C)C ZINC001305715649 1069120853 /nfs/dbraw/zinc/12/08/53/1069120853.db2.gz MTGJDZMSYWMMDH-XMMPIXPASA-N 1 0 493.656 3.188 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1)[NH+](C)C ZINC001305715994 1069121674 /nfs/dbraw/zinc/12/16/74/1069121674.db2.gz OBPSBJRNPVVXCU-FGZHOGPDSA-N 1 0 488.681 3.290 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)[NH+](C)C ZINC001305716249 1069122227 /nfs/dbraw/zinc/12/22/27/1069122227.db2.gz ORBGSOAKYHSBNT-PNJWGLBASA-N 1 0 493.693 3.143 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)[NH+](C)C ZINC001305716251 1069122292 /nfs/dbraw/zinc/12/22/92/1069122292.db2.gz ORBGSOAKYHSBNT-SWUCNREESA-N 1 0 493.693 3.143 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001305716579 1069122927 /nfs/dbraw/zinc/12/29/27/1069122927.db2.gz QHZKNHHGECNQPR-ZEQKJWHPSA-N 1 0 487.714 3.445 20 0 JGADRO CCC(CC)[C@H](Cn1c(N2CCC(CCC(N)=O)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305716608 1069122993 /nfs/dbraw/zinc/12/29/93/1069122993.db2.gz QVJRVQHVKXUYPA-NRFANRHFSA-N 1 0 462.683 3.195 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CC1COC(C)(C)OC1)[NH+]1CCOCC1 ZINC001305716872 1069123547 /nfs/dbraw/zinc/12/35/47/1069123547.db2.gz QGJMGTLQRKESJU-GOTSBHOMSA-N 1 0 493.693 3.492 20 0 JGADRO CCC(CC)[C@H](Cn1c(N2CCc3oncc3C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001305716991 1069124352 /nfs/dbraw/zinc/12/43/52/1069124352.db2.gz SHLISBXYPCALSD-RDPSFJRHSA-N 1 0 460.623 3.236 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1)[NH+]1CCOCC1 ZINC001305718300 1069126051 /nfs/dbraw/zinc/12/60/51/1069126051.db2.gz YMTGWGXCTUAAKQ-XMMPIXPASA-N 1 0 498.672 3.089 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305720501 1069129107 /nfs/dbraw/zinc/12/91/07/1069129107.db2.gz ORDFRHOBWUKDJM-HXUWFJFHSA-N 1 0 476.666 3.193 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1Cc1cnn(C)c1 ZINC001305721165 1069131051 /nfs/dbraw/zinc/13/10/51/1069131051.db2.gz GXLBBJNXRDJGEN-QHCPKHFHSA-N 1 0 478.645 3.079 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001305721604 1069131618 /nfs/dbraw/zinc/13/16/18/1069131618.db2.gz YDMGYMNCZABEEO-RZUBCFFCSA-N 1 0 461.699 3.237 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CC[N@@H+]1CCC[C@H]1C ZINC001305726351 1069143578 /nfs/dbraw/zinc/14/35/78/1069143578.db2.gz YZUSFMZWUYKRLN-GOSISDBHSA-N 1 0 470.618 3.088 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001305729014 1069149465 /nfs/dbraw/zinc/14/94/65/1069149465.db2.gz XMDGODSFMKXNEJ-QHCPKHFHSA-N 1 0 468.646 3.260 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001305737595 1069160843 /nfs/dbraw/zinc/16/08/43/1069160843.db2.gz KCXCOXXEAPBYCC-UXHICEINSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CCOc1ncccc1Cl ZINC001305738193 1069162890 /nfs/dbraw/zinc/16/28/90/1069162890.db2.gz LVCYFWAMBABUEC-IAGOWNOFSA-N 1 0 478.041 3.243 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305738316 1069163766 /nfs/dbraw/zinc/16/37/66/1069163766.db2.gz CMDIILFYGMZAEL-NHCUHLMSSA-N 1 0 460.667 3.202 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305740866 1069172249 /nfs/dbraw/zinc/17/22/49/1069172249.db2.gz IVTOVQRKUDJGDC-GBXCKJPGSA-N 1 0 498.672 3.010 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741419 1069173552 /nfs/dbraw/zinc/17/35/52/1069173552.db2.gz SBPSYEDJJULVHQ-QZTJIDSGSA-N 1 0 469.634 3.122 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCCc1cccc(C)n1 ZINC001305742479 1069176675 /nfs/dbraw/zinc/17/66/75/1069176675.db2.gz WPXCUYKCWFKBLZ-KNQAVFIVSA-N 1 0 453.635 3.206 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCc1cccc(C)n1 ZINC001305742483 1069176700 /nfs/dbraw/zinc/17/67/00/1069176700.db2.gz WPXCUYKCWFKBLZ-SIKLNZKXSA-N 1 0 453.635 3.206 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCCc1cccc(C)n1 ZINC001305742472 1069176714 /nfs/dbraw/zinc/17/67/14/1069176714.db2.gz WPXCUYKCWFKBLZ-DENIHFKCSA-N 1 0 453.635 3.206 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001305742456 1069176730 /nfs/dbraw/zinc/17/67/30/1069176730.db2.gz POMPAOASUOIJDX-NHCUHLMSSA-N 1 0 462.683 3.304 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743735 1069180459 /nfs/dbraw/zinc/18/04/59/1069180459.db2.gz YEHUYIOBFLYMDM-RTBURBONSA-N 1 0 498.676 3.257 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305743615 1069180576 /nfs/dbraw/zinc/18/05/76/1069180576.db2.gz NIBKNUQOOSGIPM-WIYYLYMNSA-N 1 0 460.667 3.322 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001305743961 1069181156 /nfs/dbraw/zinc/18/11/56/1069181156.db2.gz OCXJTWQIQXOQPX-PPHVANOWSA-N 1 0 490.693 3.090 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001305747494 1069191030 /nfs/dbraw/zinc/19/10/30/1069191030.db2.gz HYYNQPPIDSKFIL-CZTZKLFOSA-N 1 0 472.634 3.488 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001305747624 1069191668 /nfs/dbraw/zinc/19/16/68/1069191668.db2.gz IFZSDTTUUQMBGV-QGZVFWFLSA-N 1 0 479.670 3.030 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001305749268 1069193906 /nfs/dbraw/zinc/19/39/06/1069193906.db2.gz FBXVHMYHXHJGMA-WMZHIEFXSA-N 1 0 496.635 3.366 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3nc(C)no3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001305749924 1069194912 /nfs/dbraw/zinc/19/49/12/1069194912.db2.gz CQOCGUCBPOMDKZ-UHFFFAOYSA-N 1 0 486.665 3.394 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001305754353 1069204441 /nfs/dbraw/zinc/20/44/41/1069204441.db2.gz FZCNABTWKTYLFK-FNZWTVRRSA-N 1 0 474.694 3.450 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1C[C@@H]1CCCOC1 ZINC001305754987 1069206182 /nfs/dbraw/zinc/20/61/82/1069206182.db2.gz IMRQQKSXWONDBA-JTHBVZDNSA-N 1 0 468.646 3.334 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H]1CCC[C@H]1OC ZINC001305756663 1069211030 /nfs/dbraw/zinc/21/10/30/1069211030.db2.gz IWRCYGHLJCWZSV-SIKLNZKXSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC1(C)CCCC1 ZINC001305757233 1069213703 /nfs/dbraw/zinc/21/37/03/1069213703.db2.gz WPGONFGQTWXHGV-QFIPXVFZSA-N 1 0 473.710 3.382 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(C)cc3)C2)n1CCC[NH+]1CCCC1 ZINC001305757597 1069214474 /nfs/dbraw/zinc/21/44/74/1069214474.db2.gz AUCNCRZBCFKWRA-SANMLTNESA-N 1 0 468.646 3.089 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCN1CCc2sccc2C1 ZINC001305758293 1069216957 /nfs/dbraw/zinc/21/69/57/1069216957.db2.gz IOOPILSJCFRKFA-UHFFFAOYSA-N 1 0 487.718 3.283 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305758623 1069218078 /nfs/dbraw/zinc/21/80/78/1069218078.db2.gz KNFFCGUPEUGIKN-FQRUVTKNSA-N 1 0 486.636 3.308 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3oncc3C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001305758862 1069219374 /nfs/dbraw/zinc/21/93/74/1069219374.db2.gz IWVVJOKSSIHRSK-OAQYLSRUSA-N 1 0 465.602 3.359 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305758973 1069219530 /nfs/dbraw/zinc/21/95/30/1069219530.db2.gz NHRVWRAFZUVZMW-AFMDSPMNSA-N 1 0 486.636 3.165 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305759223 1069220604 /nfs/dbraw/zinc/22/06/04/1069220604.db2.gz CARBNBUYUAXXJL-AREMUKBSSA-N 1 0 490.693 3.093 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001305761241 1069227383 /nfs/dbraw/zinc/22/73/83/1069227383.db2.gz JGPFNAHWOZVIAO-OAQYLSRUSA-N 1 0 481.689 3.473 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001305761516 1069228280 /nfs/dbraw/zinc/22/82/80/1069228280.db2.gz LEQDUBBMIBGQHY-XMMPIXPASA-N 1 0 498.672 3.125 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001305762417 1069230383 /nfs/dbraw/zinc/23/03/83/1069230383.db2.gz YIPBQPXLGGFYMQ-CEYNDMKZSA-N 1 0 492.734 3.418 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001305766344 1069237383 /nfs/dbraw/zinc/23/73/83/1069237383.db2.gz FSWCLMBRJRXARL-JOCHJYFZSA-N 1 0 466.696 3.029 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1Cc1cc(C)on1 ZINC001305767503 1069239267 /nfs/dbraw/zinc/23/92/67/1069239267.db2.gz GAPMMNAIGWGUHQ-FQEVSTJZSA-N 1 0 471.650 3.490 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@H](C)[NH+](C)C ZINC001305770569 1069247024 /nfs/dbraw/zinc/24/70/24/1069247024.db2.gz LXZLAGNDXZSKPD-DOTOQJQBSA-N 1 0 484.571 3.203 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001305772138 1069250138 /nfs/dbraw/zinc/25/01/38/1069250138.db2.gz OVMOEKPYAKITRC-PKTZIBPZSA-N 1 0 468.646 3.476 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305774041 1069254605 /nfs/dbraw/zinc/25/46/05/1069254605.db2.gz YYNGPMQEYYYLPD-QHCPKHFHSA-N 1 0 481.645 3.268 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305775460 1069257700 /nfs/dbraw/zinc/25/77/00/1069257700.db2.gz MRWJLCPFGFWZMZ-LEWJYISDSA-N 1 0 456.639 3.146 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001305779225 1069268017 /nfs/dbraw/zinc/26/80/17/1069268017.db2.gz LJTMGTZUBAOQIG-MSOLQXFVSA-N 1 0 487.615 3.001 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC001305779068 1069268055 /nfs/dbraw/zinc/26/80/55/1069268055.db2.gz KDMUZVGMEGRQFA-CJFMBICVSA-N 1 0 460.667 3.322 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001305780353 1069270639 /nfs/dbraw/zinc/27/06/39/1069270639.db2.gz CBDOMCFWTLVWSP-UXHICEINSA-N 1 0 487.718 3.483 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CC[NH+]1CCCCC1 ZINC001305784233 1069279884 /nfs/dbraw/zinc/27/98/84/1069279884.db2.gz KHAXPQDFUFLENC-UHFFFAOYSA-N 1 0 488.706 3.082 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@](C)(O)C1CC1 ZINC001305784970 1069283455 /nfs/dbraw/zinc/28/34/55/1069283455.db2.gz CHQDLVJRVQYZKW-JUWHTYBZSA-N 1 0 460.667 3.058 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1Cc1ccc(COC)cc1 ZINC001305785046 1069284015 /nfs/dbraw/zinc/28/40/15/1069284015.db2.gz FUDXWRORLMUTFA-UHFFFAOYSA-N 1 0 454.619 3.066 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1cscc1C ZINC001305785264 1069285351 /nfs/dbraw/zinc/28/53/51/1069285351.db2.gz BYZYNKGAVPFVKB-GOSISDBHSA-N 1 0 474.675 3.304 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](C)c1c(C)noc1C ZINC001305785832 1069288394 /nfs/dbraw/zinc/28/83/94/1069288394.db2.gz MNNSZAIUNTZHAN-QGZVFWFLSA-N 1 0 459.639 3.383 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001305785806 1069288615 /nfs/dbraw/zinc/28/86/15/1069288615.db2.gz LXYALKWGWKKIOD-KRWDZBQOSA-N 1 0 470.618 3.283 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H]1CCC[C@H]1OC ZINC001305786319 1069289630 /nfs/dbraw/zinc/28/96/30/1069289630.db2.gz UIXYXWHTYSKFQH-SIKLNZKXSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cccc(C(=O)NC)c1 ZINC001305786850 1069292105 /nfs/dbraw/zinc/29/21/05/1069292105.db2.gz BHDLYOVEZCCMOM-UHFFFAOYSA-N 1 0 497.688 3.163 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@](C)(O)C1CC1 ZINC001305787317 1069293858 /nfs/dbraw/zinc/29/38/58/1069293858.db2.gz JLFZCOATFDYYQQ-BCHFMIIMSA-N 1 0 468.646 3.068 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H](C)c1ccccc1 ZINC001305788997 1069298741 /nfs/dbraw/zinc/29/87/41/1069298741.db2.gz YYUKYAOWBKSLLK-SFTDATJTSA-N 1 0 468.646 3.159 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccc(OC)cc1F ZINC001305789890 1069300245 /nfs/dbraw/zinc/30/02/45/1069300245.db2.gz SSNMTEMNZPPWOZ-IBGZPJMESA-N 1 0 458.582 3.067 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCc1ccc(NC(C)=O)cc1 ZINC001305789887 1069300294 /nfs/dbraw/zinc/30/02/94/1069300294.db2.gz SRLIKOQLBBOYQV-QHCPKHFHSA-N 1 0 481.645 3.072 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001305790225 1069301274 /nfs/dbraw/zinc/30/12/74/1069301274.db2.gz UGTXVFWWIAVABG-NZQKXSOJSA-N 1 0 467.662 3.396 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001305790730 1069302379 /nfs/dbraw/zinc/30/23/79/1069302379.db2.gz XBKNTTVWNAELGW-DHIUTWEWSA-N 1 0 495.672 3.057 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](C)c1ncc(C)s1 ZINC001305791082 1069302863 /nfs/dbraw/zinc/30/28/63/1069302863.db2.gz ZEZYXFXFFQJMBZ-APWZRJJASA-N 1 0 459.664 3.440 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](C)c1ncc(C)s1 ZINC001305791090 1069302990 /nfs/dbraw/zinc/30/29/90/1069302990.db2.gz ZEZYXFXFFQJMBZ-QFBILLFUSA-N 1 0 459.664 3.440 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001305791159 1069303332 /nfs/dbraw/zinc/30/33/32/1069303332.db2.gz LUJCZTVMYDTZFQ-PKOBYXMFSA-N 1 0 488.599 3.332 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001305792179 1069305506 /nfs/dbraw/zinc/30/55/06/1069305506.db2.gz RUVPWLSVFNSWCP-RXFWQSSRSA-N 1 0 468.646 3.290 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CC[NH+]1CCCC1 ZINC001305793365 1069309024 /nfs/dbraw/zinc/30/90/24/1069309024.db2.gz FDQJNWRWTXGLJB-NRFANRHFSA-N 1 0 476.572 3.148 20 0 JGADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164390047 718823629 /nfs/dbraw/zinc/82/36/29/718823629.db2.gz LHIRYFVJMBFGJL-HOTGVXAUSA-N 1 0 473.307 3.252 20 0 JGADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CCCCC23CC[NH2+]CC3)C1=O ZINC001164420512 718910826 /nfs/dbraw/zinc/91/08/26/718910826.db2.gz JXGOBIWNDSUOIW-JOCHJYFZSA-N 1 0 450.990 3.129 20 0 JGADRO O=C(c1cccnc1N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164423734 718944423 /nfs/dbraw/zinc/94/44/23/718944423.db2.gz KBVHZPPVOMWBBT-CLJLJLNGSA-N 1 0 453.590 3.115 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3C4(CC[C@]3(C(=O)OCC)C2)CC[NH2+]CC4)nc1Cl ZINC001164620937 719006807 /nfs/dbraw/zinc/00/68/07/719006807.db2.gz ZTHSUGPSNLSLSF-BTYIYWSLSA-N 1 0 486.947 3.001 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164617581 719008882 /nfs/dbraw/zinc/00/88/82/719008882.db2.gz OQVQPQWUOSDYMC-VFNWGFHPSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001164619632 719010174 /nfs/dbraw/zinc/01/01/74/719010174.db2.gz WKSYTKFICFAFBH-IERDGZPVSA-N 1 0 465.932 3.372 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164616638 719010693 /nfs/dbraw/zinc/01/06/93/719010693.db2.gz LFJKUINDKYAUFY-IIBYNOLFSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164617095 719017714 /nfs/dbraw/zinc/01/77/14/719017714.db2.gz MBPQRPJTZRENMY-NZSAHSFTSA-N 1 0 469.655 3.286 20 0 JGADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164630107 719091929 /nfs/dbraw/zinc/09/19/29/719091929.db2.gz VIMCOEOHRBCUOL-QAPCUYQASA-N 1 0 456.946 3.028 20 0 JGADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164630108 719092231 /nfs/dbraw/zinc/09/22/31/719092231.db2.gz VIMCOEOHRBCUOL-YJBOKZPZSA-N 1 0 456.946 3.028 20 0 JGADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164630615 719138579 /nfs/dbraw/zinc/13/85/79/719138579.db2.gz JXCMHPZWKLCLOA-CQSZACIVSA-N 1 0 450.795 3.312 20 0 JGADRO C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)c3ccccc3S(=O)(=O)N4Cc3ccccc3)n2)CC1 ZINC001164654109 719322741 /nfs/dbraw/zinc/32/27/41/719322741.db2.gz OODCCEXBHZRCGU-HHHXNRCGSA-N 1 0 489.645 3.144 20 0 JGADRO CC(C)N(C)Cc1nn(-c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164685007 719610527 /nfs/dbraw/zinc/61/05/27/719610527.db2.gz QBRMIIUTWBFALV-UHFFFAOYSA-N 1 0 452.990 3.337 20 0 JGADRO CCOC(=O)c1cnc(C)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681454 719663629 /nfs/dbraw/zinc/66/36/29/719663629.db2.gz PNRDWAKRFSHSNJ-FQEVSTJZSA-N 1 0 479.625 3.055 20 0 JGADRO CCOC(=O)c1c(C)ncnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684678 719669981 /nfs/dbraw/zinc/66/99/81/719669981.db2.gz VCOPAUVIWVEZTA-HXUWFJFHSA-N 1 0 479.625 3.055 20 0 JGADRO CCOC(=O)c1c(C)ncnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684675 719670202 /nfs/dbraw/zinc/67/02/02/719670202.db2.gz VCOPAUVIWVEZTA-FQEVSTJZSA-N 1 0 479.625 3.055 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)CC2)c2ccccc21 ZINC001164681202 719670495 /nfs/dbraw/zinc/67/04/95/719670495.db2.gz KMXFFUBJNHPLBE-KRWDZBQOSA-N 1 0 482.028 3.323 20 0 JGADRO C[C@@H]1CC(=O)Nc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c21 ZINC001164681484 719670516 /nfs/dbraw/zinc/67/05/16/719670516.db2.gz LQDBIEUUGYWZEX-MOPGFXCFSA-N 1 0 476.625 3.016 20 0 JGADRO CCOc1ccc(C(=O)OC)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681223 719670976 /nfs/dbraw/zinc/67/09/76/719670976.db2.gz KRUXWGDJLFOHAZ-HXUWFJFHSA-N 1 0 494.636 3.360 20 0 JGADRO Cc1cn(-c2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nn2)cn1 ZINC001164681131 719674060 /nfs/dbraw/zinc/67/40/60/719674060.db2.gz JZIQVDUIZRNXAF-OAQYLSRUSA-N 1 0 473.625 3.064 20 0 JGADRO CCN(CC)c1cncc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680113 719674381 /nfs/dbraw/zinc/67/43/81/719674381.db2.gz CNDWVSTUOLLBQF-NRFANRHFSA-N 1 0 464.658 3.416 20 0 JGADRO Cc1cnc2c(ccnc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685685 719679967 /nfs/dbraw/zinc/67/99/67/719679967.db2.gz VSMOYFUMJQCRGJ-FQEVSTJZSA-N 1 0 458.610 3.427 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N4CCSCC4)ncn3)CC2)c2ccccc21 ZINC001164684195 719681094 /nfs/dbraw/zinc/68/10/94/719681094.db2.gz SMRIYYOBPNNCQW-NRFANRHFSA-N 1 0 494.709 3.123 20 0 JGADRO COc1nc(C)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164685413 719681578 /nfs/dbraw/zinc/68/15/78/719681578.db2.gz JRBITRUQWLARSO-HXUWFJFHSA-N 1 0 451.615 3.195 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@H]3C)nc1 ZINC001164684386 719692937 /nfs/dbraw/zinc/69/29/37/719692937.db2.gz IGKJJEKYMJNTCQ-SIKLNZKXSA-N 1 0 452.603 3.153 20 0 JGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164689371 719740009 /nfs/dbraw/zinc/74/00/09/719740009.db2.gz DBGHXQVHIVVDNF-UHFFFAOYSA-N 1 0 470.687 3.475 20 0 JGADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)n1 ZINC001164689406 719743191 /nfs/dbraw/zinc/74/31/91/719743191.db2.gz FPBPZAZJNDGHJB-UHFFFAOYSA-N 1 0 458.676 3.331 20 0 JGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4scnc4c(N4CCOCC4)n2)CC3)cs1 ZINC001164694468 719806424 /nfs/dbraw/zinc/80/64/24/719806424.db2.gz YNVHAFALJCFBIO-UHFFFAOYSA-N 1 0 471.656 3.323 20 0 JGADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164804497 720052564 /nfs/dbraw/zinc/05/25/64/720052564.db2.gz LJDBIGCBSAFTST-KNQAVFIVSA-N 1 0 479.959 3.308 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164716331 720056238 /nfs/dbraw/zinc/05/62/38/720056238.db2.gz VLFWAOBONXQMBX-LVVCFHABSA-N 1 0 464.614 3.222 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1cc(C)n3S(=O)(=O)c1ccccc1)C2 ZINC001164815811 720088110 /nfs/dbraw/zinc/08/81/10/720088110.db2.gz ZUWLBTFBTYEMDT-QFQXNSOFSA-N 1 0 495.649 3.161 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc(C(=O)OC)cc31)CC2 ZINC001164709753 720100768 /nfs/dbraw/zinc/10/07/68/720100768.db2.gz CUUAMPQRSPAECM-OAQYLSRUSA-N 1 0 461.566 3.319 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164709523 720102959 /nfs/dbraw/zinc/10/29/59/720102959.db2.gz ACHMCCOWJZKDKD-NRFANRHFSA-N 1 0 494.665 3.430 20 0 JGADRO CCOC(=O)c1nnc(Cl)cc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164718103 720113877 /nfs/dbraw/zinc/11/38/77/720113877.db2.gz RRTUWCGCUSDCED-GOSISDBHSA-N 1 0 459.978 3.209 20 0 JGADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164816438 720114822 /nfs/dbraw/zinc/11/48/22/720114822.db2.gz YTWCCGTXNCRHGD-BTYIYWSLSA-N 1 0 455.024 3.213 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3nc(C(=O)OC)cc-3c(OC)[nH]1)CC2 ZINC001164719107 720116181 /nfs/dbraw/zinc/11/61/81/720116181.db2.gz WGBWVRCXLHYRGX-LJQANCHMSA-N 1 0 479.581 3.261 20 0 JGADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC)OCC ZINC001164811143 720116311 /nfs/dbraw/zinc/11/63/11/720116311.db2.gz LRXBLZCHAOWZSQ-WZONZLPQSA-N 1 0 453.027 3.256 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCOCC1)CC2 ZINC001164718073 720116394 /nfs/dbraw/zinc/11/63/94/720116394.db2.gz RKMKBZJJJNRMIJ-QHCPKHFHSA-N 1 0 488.636 3.369 20 0 JGADRO CCOc1ccc(C(=O)OC)c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164714934 720123416 /nfs/dbraw/zinc/12/34/16/720123416.db2.gz FRGVEULFKRKKGI-HXUWFJFHSA-N 1 0 454.571 3.169 20 0 JGADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c(OC)c1 ZINC001164719144 720127278 /nfs/dbraw/zinc/12/72/78/720127278.db2.gz WPFXOILFSHRAIY-OAQYLSRUSA-N 1 0 454.571 3.169 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)C2 ZINC001164816463 720133549 /nfs/dbraw/zinc/13/35/49/720133549.db2.gz YYCCTQHPSTULIC-BKMJKUGQSA-N 1 0 463.630 3.109 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1nc(C)n3C)CC2 ZINC001164714847 720138502 /nfs/dbraw/zinc/13/85/02/720138502.db2.gz ZVFRVHMYGMQMEQ-SFHVURJKSA-N 1 0 455.994 3.228 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(C(=O)NCC(C)C)ccc31)C2 ZINC001164811077 720147357 /nfs/dbraw/zinc/14/73/57/720147357.db2.gz LFUWZKSVLUYJHS-HFZDXXHNSA-N 1 0 451.615 3.200 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1S(=O)(=O)N1CCCCC1)CC2 ZINC001164714598 720148530 /nfs/dbraw/zinc/14/85/30/720148530.db2.gz XOHSMNOLSQUEJB-QHCPKHFHSA-N 1 0 499.681 3.159 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(/C=C\C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815989 720149241 /nfs/dbraw/zinc/14/92/41/720149241.db2.gz JOVIDIWPKLYGOY-AELUCMROSA-N 1 0 484.641 3.437 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164715005 720156831 /nfs/dbraw/zinc/15/68/31/720156831.db2.gz RZVBVCPCUXFOGI-HKUYNNGSSA-N 1 0 474.005 3.309 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001164818046 720157968 /nfs/dbraw/zinc/15/79/68/720157968.db2.gz RIXBDKYHXNYXLP-XDHUDOTRSA-N 1 0 456.591 3.490 20 0 JGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@]34CCN(C)C4=O)CC2)nc1 ZINC001164716482 720162582 /nfs/dbraw/zinc/16/25/82/720162582.db2.gz ZSVZJDXCRDDOBX-FIPFOOKPSA-N 1 0 496.700 3.451 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCOCC3)nc3sc(C)c(C)c31)C2 ZINC001164816292 720168143 /nfs/dbraw/zinc/16/81/43/720168143.db2.gz KUOKSLBEJPXCIH-LVXARBLLSA-N 1 0 485.698 3.325 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)C2 ZINC001164814273 720174942 /nfs/dbraw/zinc/17/49/42/720174942.db2.gz FKQSNYJWFMGCHD-WXVAWEFUSA-N 1 0 480.632 3.127 20 0 JGADRO Cn1nnc2c1CCN(c1nc3ccc(Cl)cc3nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716574 720176102 /nfs/dbraw/zinc/17/61/02/720176102.db2.gz HYXPHMAHOMDRKD-GOSISDBHSA-N 1 0 462.385 3.281 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715447 720176435 /nfs/dbraw/zinc/17/64/35/720176435.db2.gz CJUBLSYBPMYTKQ-LJQANCHMSA-N 1 0 477.947 3.173 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001164815595 720176633 /nfs/dbraw/zinc/17/66/33/720176633.db2.gz IKYSIIYHIHIYCI-IIBYNOLFSA-N 1 0 463.007 3.024 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001164815593 720177719 /nfs/dbraw/zinc/17/77/19/720177719.db2.gz IKYSIIYHIHIYCI-IERDGZPVSA-N 1 0 463.007 3.024 20 0 JGADRO Cn1nnc2c1CCN(c1cc3nc(Cl)cnc3cc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715939 720179203 /nfs/dbraw/zinc/17/92/03/720179203.db2.gz FAIJIIZSSRVHCJ-LJQANCHMSA-N 1 0 462.385 3.281 20 0 JGADRO COc1ccc2c(c1)nc(Cl)cc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715894 720182159 /nfs/dbraw/zinc/18/21/59/720182159.db2.gz DERBPFJPHKDWBA-NRFANRHFSA-N 1 0 456.978 3.242 20 0 JGADRO Cn1nnc2c1CCN(c1cccc(-c3cccc(Cl)n3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718211 720182803 /nfs/dbraw/zinc/18/28/03/720182803.db2.gz NKBYXJJYPCMNBP-HXUWFJFHSA-N 1 0 453.978 3.142 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001164817735 720188595 /nfs/dbraw/zinc/18/85/95/720188595.db2.gz QCQMEOOQVWJBQA-HOFKKMOUSA-N 1 0 463.626 3.165 20 0 JGADRO COc1ccc2c(cc(Cl)nc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164713988 720190564 /nfs/dbraw/zinc/19/05/64/720190564.db2.gz FLWUQQLFDCMALX-HXUWFJFHSA-N 1 0 456.978 3.242 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(N(C)Cc3ccc(OC)cc3)n1)C2 ZINC001164819196 720191990 /nfs/dbraw/zinc/19/19/90/720191990.db2.gz WLPVANXCMFGYIA-BKMJKUGQSA-N 1 0 451.615 3.306 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cccc3c(Cl)ncnc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716616 720198626 /nfs/dbraw/zinc/19/86/26/720198626.db2.gz QCWRXZKOHFVJCS-GOSISDBHSA-N 1 0 477.947 3.173 20 0 JGADRO Cn1nnc2c1CCN(c1cc(-c3cccc(Cl)c3)ncn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715543 720198689 /nfs/dbraw/zinc/19/86/89/720198689.db2.gz KTAWPKKWXHZDGN-NRFANRHFSA-N 1 0 453.978 3.142 20 0 JGADRO Cn1nnc2c1CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718162 720199781 /nfs/dbraw/zinc/19/97/81/720199781.db2.gz XZRXDCUGWKDHKF-OAQYLSRUSA-N 1 0 471.968 3.281 20 0 JGADRO COc1ccc(Cc2c(C)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2C)cc1 ZINC001164717588 720203557 /nfs/dbraw/zinc/20/35/57/720203557.db2.gz UWESELHDCWOQMT-VWLOTQADSA-N 1 0 491.640 3.038 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164720159 720203663 /nfs/dbraw/zinc/20/36/63/720203663.db2.gz WQGGLRMVBNRKJP-AWEZNQCLSA-N 1 0 477.343 3.158 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720160 720204238 /nfs/dbraw/zinc/20/42/38/720204238.db2.gz WQGGLRMVBNRKJP-CQSZACIVSA-N 1 0 477.343 3.158 20 0 JGADRO Cn1nnc2c1CCN(c1ccnc(CSc3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716201 720205288 /nfs/dbraw/zinc/20/52/88/720205288.db2.gz AVZXQLMCHLCRRH-NRFANRHFSA-N 1 0 465.627 3.114 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716047 720205812 /nfs/dbraw/zinc/20/58/12/720205812.db2.gz ADNYKBSZVRAWMF-GOSISDBHSA-N 1 0 466.964 3.200 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)Sc1ccc(Cl)nc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718419 720206022 /nfs/dbraw/zinc/20/60/22/720206022.db2.gz LGTXUUDXSDFRQR-MRXNPFEDSA-N 1 0 458.966 3.218 20 0 JGADRO Cn1nnc2c1CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)[C@H]2COCC[NH+]1CCCC1 ZINC001164720086 720207113 /nfs/dbraw/zinc/20/71/13/720207113.db2.gz VUJOTVPXKANYRF-KRWDZBQOSA-N 1 0 495.459 3.118 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(C3CC3)nnc1Cl)CCC2 ZINC001164814481 720238195 /nfs/dbraw/zinc/23/81/95/720238195.db2.gz UTGBEXWZOFOTOW-UHFFFAOYSA-N 1 0 452.937 3.360 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)COC(=O)Nc1cccnc1Cl)CCC2 ZINC001164818271 720243484 /nfs/dbraw/zinc/24/34/84/720243484.db2.gz YDGCBZXXAXWQEE-UHFFFAOYSA-N 1 0 484.935 3.179 20 0 JGADRO COc1ccc(Oc2cc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc(C)n2)cc1 ZINC001164815194 720243787 /nfs/dbraw/zinc/24/37/87/720243787.db2.gz BQUJJJBPLTTZBQ-UHFFFAOYSA-N 1 0 464.570 3.393 20 0 JGADRO O=C([C@@H]1Cn2nccc2CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1)N1CCCC1 ZINC001164816739 720262841 /nfs/dbraw/zinc/26/28/41/720262841.db2.gz LTCUTZKNULCVIK-QHCPKHFHSA-N 1 0 456.594 3.095 20 0 JGADRO O=C([C@H]1Cn2nccc2CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1)N1CCCC1 ZINC001164819963 720267956 /nfs/dbraw/zinc/26/79/56/720267956.db2.gz UNJBUKBQCHJJGY-QGZVFWFLSA-N 1 0 476.959 3.112 20 0 JGADRO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164820629 720288170 /nfs/dbraw/zinc/28/81/70/720288170.db2.gz WQGOYVIDCVZLOL-ZWKOTPCHSA-N 1 0 471.627 3.088 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2C(=O)NC2CCCCC2)CC1 ZINC001164827955 720296668 /nfs/dbraw/zinc/29/66/68/720296668.db2.gz YPMDEKOQIFJFOW-GOTSBHOMSA-N 1 0 453.631 3.056 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ccc2C(=O)NC(C)(C)C)CC1 ZINC001164832497 720323699 /nfs/dbraw/zinc/32/36/99/720323699.db2.gz UDOCMOOXCSSRBF-OALUTQOASA-N 1 0 462.038 3.175 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc3ncnc(Cl)c3n2)CC1 ZINC001164831334 720325678 /nfs/dbraw/zinc/32/56/78/720325678.db2.gz QWMNZHZAMACNJQ-SJORKVTESA-N 1 0 464.948 3.135 20 0 JGADRO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH]c(C)c(C)c-2n1 ZINC001164831952 720325927 /nfs/dbraw/zinc/32/59/27/720325927.db2.gz SKFXPQNPMJNYBQ-FGZHOGPDSA-N 1 0 467.614 3.268 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC1 ZINC001164830878 720333464 /nfs/dbraw/zinc/33/34/64/720333464.db2.gz QGHQZVDKALRIGF-LSDHHAIUSA-N 1 0 462.372 3.326 20 0 JGADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164828505 720334987 /nfs/dbraw/zinc/33/49/87/720334987.db2.gz JYRKIGUMXBCBIW-MOPGFXCFSA-N 1 0 484.975 3.368 20 0 JGADRO COc1ccc2c(cc[nH+]c2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)c1 ZINC001164823255 720362869 /nfs/dbraw/zinc/36/28/69/720362869.db2.gz CTHIUHQNKCGOJQ-UHFFFAOYSA-N 1 0 451.596 3.322 20 0 JGADRO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nccc(NC(=O)C(C)(C)C)c3C[N@@H+]3CC[C@H](CO)C3)O2)n1 ZINC001164830445 720406355 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720510515 /nfs/dbraw/zinc/51/05/15/720510515.db2.gz MULZJYFVQGFLBQ-SOLBZPMBSA-N 1 0 482.963 3.426 20 0 JGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccsc4c(N4CCOCC4)n3)CC[C@@H]21 ZINC001164834297 720517847 /nfs/dbraw/zinc/51/78/47/720517847.db2.gz FGSQFVDLVSQVPO-DYXWJJEUSA-N 1 0 467.643 3.102 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccsc4c(N4CCOCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834302 720518155 /nfs/dbraw/zinc/51/81/55/720518155.db2.gz FGSQFVDLVSQVPO-SVFBPWRDSA-N 1 0 467.643 3.102 20 0 JGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)CC[C@@H]21 ZINC001164840578 720518956 /nfs/dbraw/zinc/51/89/56/720518956.db2.gz WJRPHCYRHBLHNK-IKGGRYGDSA-N 1 0 453.969 3.315 20 0 JGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccccc4nc3N3CCOCC3)CC[C@@H]21 ZINC001164834221 720539866 /nfs/dbraw/zinc/53/98/66/720539866.db2.gz CVOGTLIXVXYUOX-DPLHUUCSSA-N 1 0 461.614 3.041 20 0 JGADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164835973 720578354 /nfs/dbraw/zinc/57/83/54/720578354.db2.gz DGGXEPMMBIDHIL-WOIUINJBSA-N 1 0 482.629 3.427 20 0 JGADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164841602 720612332 /nfs/dbraw/zinc/61/23/32/720612332.db2.gz TYJHAUOMNQTPTA-UNWVZKJWSA-N 1 0 474.675 3.123 20 0 JGADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C(=O)OCC ZINC001164839182 720649229 /nfs/dbraw/zinc/64/92/29/720649229.db2.gz JCVYNYQNQVRDIV-SFHLNBCPSA-N 1 0 469.586 3.009 20 0 JGADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C(=O)OCC ZINC001164839183 720650048 /nfs/dbraw/zinc/65/00/48/720650048.db2.gz JCVYNYQNQVRDIV-SVFBPWRDSA-N 1 0 469.586 3.009 20 0 JGADRO COC(=O)C1CCN(c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)CC1 ZINC001164845272 720699946 /nfs/dbraw/zinc/69/99/46/720699946.db2.gz XOKBNRBEBRIGKC-HSZRJFAPSA-N 1 0 479.625 3.126 20 0 JGADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)CC2 ZINC001164840920 720715002 /nfs/dbraw/zinc/71/50/02/720715002.db2.gz SPIICBKYDYWDGO-JOCHJYFZSA-N 1 0 477.609 3.172 20 0 JGADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)c1 ZINC001164844918 720742396 /nfs/dbraw/zinc/74/23/96/720742396.db2.gz VIMPFOPUJQYSIP-UHFFFAOYSA-N 1 0 488.926 3.424 20 0 JGADRO c1ccc(COc2ccc3c(c2)ncnc3N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164751959 720801871 /nfs/dbraw/zinc/80/18/71/720801871.db2.gz YHUMNXWYHVSPEH-RBBKRZOGSA-N 1 0 454.534 3.341 20 0 JGADRO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744820 720811981 /nfs/dbraw/zinc/81/19/81/720811981.db2.gz IRRYKKUAFKJGRS-RBSFLKMASA-N 1 0 458.344 3.299 20 0 JGADRO O=C(NC1CCCCC1)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752776 720813732 /nfs/dbraw/zinc/81/37/32/720813732.db2.gz ZVEPHOOPJSPWET-JCTONOIOSA-N 1 0 463.630 3.115 20 0 JGADRO O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164854637 720815057 /nfs/dbraw/zinc/81/50/57/720815057.db2.gz UWWRJBIHSOUESB-FXAWDEMLSA-N 1 0 459.928 3.146 20 0 JGADRO Clc1cc(-c2ccncc2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164743796 720815864 /nfs/dbraw/zinc/81/58/64/720815864.db2.gz SKBBLSWFJPDGTB-SFHLNBCPSA-N 1 0 450.978 3.163 20 0 JGADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745972 720816640 /nfs/dbraw/zinc/81/66/40/720816640.db2.gz XPOQXOWYJJGBAG-GUDVDZBRSA-N 1 0 493.006 3.246 20 0 JGADRO O=C(c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1)N1CCCCC1 ZINC001164742173 720817310 /nfs/dbraw/zinc/81/73/10/720817310.db2.gz QBFVOFJEYFNMCY-BHIFYINESA-N 1 0 484.048 3.332 20 0 JGADRO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164739194 720821720 /nfs/dbraw/zinc/82/17/20/720821720.db2.gz HQSWYKNUCXAINZ-HHXXYDBFSA-N 1 0 480.947 3.037 20 0 JGADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c(Cl)nc2c1 ZINC001164737344 720824009 /nfs/dbraw/zinc/82/40/09/720824009.db2.gz AENBCULISIKDRV-CSODHUTKSA-N 1 0 453.978 3.263 20 0 JGADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745618 720826084 /nfs/dbraw/zinc/82/60/84/720826084.db2.gz XIBFXZFMGJPNQD-BBTUJRGHSA-N 1 0 496.015 3.431 20 0 JGADRO FC(F)(COc1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742158 720826508 /nfs/dbraw/zinc/82/65/08/720826508.db2.gz QAQMZFPZMFDXIW-YQVWRLOYSA-N 1 0 452.937 3.173 20 0 JGADRO COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164745040 720826867 /nfs/dbraw/zinc/82/68/67/720826867.db2.gz VYVNWVSSNBXTEN-LZLYRXPVSA-N 1 0 452.937 3.259 20 0 JGADRO c1cn(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164749343 720832939 /nfs/dbraw/zinc/83/29/39/720832939.db2.gz VPUUAUPPNLQBBJ-VDKIKQQVSA-N 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C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cccc4c(Cl)nc(Cl)nc42)CC3)CC1 ZINC001164796738 721514840 /nfs/dbraw/zinc/51/48/40/721514840.db2.gz AYPOHRJHFBJTFT-UHFFFAOYSA-N 1 0 482.366 3.446 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccc(C5OCCCO5)cc4)cn2)CC3)CC1 ZINC001164799086 721517569 /nfs/dbraw/zinc/51/75/69/721517569.db2.gz WNYWMRXXNSUBDP-UHFFFAOYSA-N 1 0 474.609 3.148 20 0 JGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc5ccsc5c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164898586 721519125 /nfs/dbraw/zinc/51/91/25/721519125.db2.gz JERNZMWVHGXFFK-PKOBYXMFSA-N 1 0 455.559 3.009 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(-c4cccnc4)c2)CC3)CC1 ZINC001164794390 721520845 /nfs/dbraw/zinc/52/08/45/721520845.db2.gz CTLRUKFLGYSCDB-UHFFFAOYSA-N 1 0 473.959 3.306 20 0 JGADRO Cc1cc2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164904113 721542685 /nfs/dbraw/zinc/54/26/85/721542685.db2.gz FGCZQZVYYCWOLU-AZUAARDMSA-N 1 0 469.586 3.317 20 0 JGADRO 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ZINC001305810669 1069340636 /nfs/dbraw/zinc/34/06/36/1069340636.db2.gz PWQPNMXMRUZTOT-PQNGQFLHSA-N 1 0 471.646 3.454 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCCC1 ZINC001305810815 1069340815 /nfs/dbraw/zinc/34/08/15/1069340815.db2.gz OFXXFONBMUBUPI-SBUREZEXSA-N 1 0 462.545 3.123 20 0 JGADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305810783 1069340904 /nfs/dbraw/zinc/34/09/04/1069340904.db2.gz NQOLRYXEDMOYGA-IEBWSBKVSA-N 1 0 495.466 3.020 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](OC)C1)[NH+]1CCCC1 ZINC001305809958 1069339637 /nfs/dbraw/zinc/33/96/37/1069339637.db2.gz LMSWUEZFEVUXIF-DLBZAZTESA-N 1 0 451.413 3.146 20 0 JGADRO CC[C@@H](Cn1c(C)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001305809711 1069339732 /nfs/dbraw/zinc/33/97/32/1069339732.db2.gz RROFXQSDGOSOGJ-QHCPKHFHSA-N 1 0 485.677 3.144 20 0 JGADRO CC[C@@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001305810144 1069340070 /nfs/dbraw/zinc/34/00/70/1069340070.db2.gz OOSZABGRQWIRHA-PKTZIBPZSA-N 1 0 498.672 3.204 20 0 JGADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)OC ZINC001305811774 1069342196 /nfs/dbraw/zinc/34/21/96/1069342196.db2.gz RUBQBWZRGVZCQO-ZMSDIMECSA-N 1 0 453.429 3.390 20 0 JGADRO CC[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N(CC)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001305812379 1069342736 /nfs/dbraw/zinc/34/27/36/1069342736.db2.gz AEIKVWPLWXXDNE-LJQANCHMSA-N 1 0 459.616 3.437 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCn1cccn1)[NH+]1CCCC1 ZINC001305812563 1069342994 /nfs/dbraw/zinc/34/29/94/1069342994.db2.gz VAMUEBFPOAZZSG-KRWDZBQOSA-N 1 0 461.412 3.243 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)OC ZINC001305813996 1069345033 /nfs/dbraw/zinc/34/50/33/1069345033.db2.gz LIOCBMNZCXNYJA-VQIMIIECSA-N 1 0 466.424 3.290 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C(=O)NC)[NH+]1CCCC1 ZINC001305816074 1069349433 /nfs/dbraw/zinc/34/94/33/1069349433.db2.gz YQDLHOLSQSMIRK-VQIMIIECSA-N 1 0 477.451 3.400 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCCC1 ZINC001305816447 1069350320 /nfs/dbraw/zinc/35/03/20/1069350320.db2.gz SVEKZBWJDQUDJR-UZUQRXQVSA-N 1 0 461.010 3.183 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CCC(=O)NC)[NH+]1CCCC1 ZINC001305817695 1069352278 /nfs/dbraw/zinc/35/22/78/1069352278.db2.gz ZVWAFHRCLSBKQC-INIZCTEOSA-N 1 0 493.450 3.163 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCCC1 ZINC001305822557 1069358905 /nfs/dbraw/zinc/35/89/05/1069358905.db2.gz LQIIPLVUMYTLBT-RTBURBONSA-N 1 0 471.602 3.226 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001305826401 1069365504 /nfs/dbraw/zinc/36/55/04/1069365504.db2.gz HLBVNKIKTHKWKR-LEWJYISDSA-N 1 0 499.660 3.253 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305831899 1069373550 /nfs/dbraw/zinc/37/35/50/1069373550.db2.gz GMSPQKOGJUAOSA-WJFTUGDTSA-N 1 0 450.628 3.004 20 0 JGADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)[NH+]1CCCC1 ZINC001305833368 1069374582 /nfs/dbraw/zinc/37/45/82/1069374582.db2.gz CWMXPNXZVLTZAP-JOCHJYFZSA-N 1 0 452.647 3.375 20 0 JGADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001305837062 1069379883 /nfs/dbraw/zinc/37/98/83/1069379883.db2.gz RRGHKZVTBDRNJD-XMMPIXPASA-N 1 0 496.700 3.435 20 0 JGADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1)[NH+]1CCCC1 ZINC001305834918 1069376799 /nfs/dbraw/zinc/37/67/99/1069376799.db2.gz JPOPTUOJRPNIDW-FCHUYYIVSA-N 1 0 457.667 3.460 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1)[NH+]1CCCC1 ZINC001305836358 1069378716 /nfs/dbraw/zinc/37/87/16/1069378716.db2.gz UZYAATBBNVEQOI-RTWAWAEBSA-N 1 0 462.639 3.309 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC001305837840 1069381480 /nfs/dbraw/zinc/38/14/80/1069381480.db2.gz PLARLYJEWUQQOG-FCJDFRRUSA-N 1 0 489.686 3.095 20 0 JGADRO CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCCC1 ZINC001305838250 1069382635 /nfs/dbraw/zinc/38/26/35/1069382635.db2.gz QXDNRIAGNCEKJQ-PWRODBHTSA-N 1 0 492.665 3.076 20 0 JGADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[NH+]1CCCC1 ZINC001305838249 1069382649 /nfs/dbraw/zinc/38/26/49/1069382649.db2.gz QXDNRIAGNCEKJQ-NJYVYQBISA-N 1 0 492.665 3.076 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001305838763 1069383154 /nfs/dbraw/zinc/38/31/54/1069383154.db2.gz WQCAROJAVWCMBV-PWRODBHTSA-N 1 0 476.666 3.350 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1C)[NH+]1CCCC1 ZINC001305838624 1069383221 /nfs/dbraw/zinc/38/32/21/1069383221.db2.gz RLLKCZGVSQRKIM-YADHBBJMSA-N 1 0 459.660 3.390 20 0 JGADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC001305839663 1069386137 /nfs/dbraw/zinc/38/61/37/1069386137.db2.gz ZNSBDUMHMZEKHF-NRFANRHFSA-N 1 0 492.665 3.001 20 0 JGADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001305840200 1069387463 /nfs/dbraw/zinc/38/74/63/1069387463.db2.gz YOVQQYNQLDCOHO-MHTWAQMVSA-N 1 0 492.665 3.075 20 0 JGADRO CC[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001305842106 1069390641 /nfs/dbraw/zinc/39/06/41/1069390641.db2.gz SGNIPQBOERLJHK-KSEOMHKRSA-N 1 0 483.661 3.488 20 0 JGADRO CC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1)[NH+]1CCCC1 ZINC001305843788 1069393124 /nfs/dbraw/zinc/39/31/24/1069393124.db2.gz ZBDUGKJCBQFRIM-OAQYLSRUSA-N 1 0 456.610 3.330 20 0 JGADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(NC(C)=O)CC1)[NH+]1CCCC1 ZINC001305845727 1069395168 /nfs/dbraw/zinc/39/51/68/1069395168.db2.gz DASOBNZJECAXGG-QHCPKHFHSA-N 1 0 468.646 3.453 20 0 JGADRO CC[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@H](C)[C@H]1C)OC ZINC001305848237 1069398838 /nfs/dbraw/zinc/39/88/38/1069398838.db2.gz XAMVNUOWQWKZMB-MQSCRBSSSA-N 1 0 472.703 3.398 20 0 JGADRO CC[C@@H](Cn1c(N2CCN(C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305850770 1069403528 /nfs/dbraw/zinc/40/35/28/1069403528.db2.gz RYJGUMYWTJAZIX-XZOQPEGZSA-N 1 0 484.689 3.012 20 0 JGADRO CC[C@H](Cn1c(N2CCN(C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305850767 1069403556 /nfs/dbraw/zinc/40/35/56/1069403556.db2.gz RYJGUMYWTJAZIX-DHIUTWEWSA-N 1 0 484.689 3.012 20 0 JGADRO CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001305849835 1069401731 /nfs/dbraw/zinc/40/17/31/1069401731.db2.gz VBYLFMZIMQHRSK-NHCUHLMSSA-N 1 0 454.619 3.050 20 0 JGADRO CC[C@@H](Cn1c(N2CC[NH+](C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)NC(=O)OC(C)(C)C ZINC001305850899 1069404109 /nfs/dbraw/zinc/40/41/09/1069404109.db2.gz VIWQAYHNGLJBNT-NBGIEHNGSA-N 1 0 494.681 3.152 20 0 JGADRO CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001305856981 1069411704 /nfs/dbraw/zinc/41/17/04/1069411704.db2.gz YPYMXYDINCZMHA-KVVHSQDJSA-N 1 0 453.674 3.078 20 0 JGADRO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)O1 ZINC001305858211 1069413543 /nfs/dbraw/zinc/41/35/43/1069413543.db2.gz CIWRNAYOBSFGSC-VMODYCNZSA-N 1 0 490.737 3.446 20 0 JGADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001305880480 1069433204 /nfs/dbraw/zinc/43/32/04/1069433204.db2.gz FZGPIHKDFUBFEL-HHHXNRCGSA-N 1 0 497.688 3.179 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001305883654 1069437971 /nfs/dbraw/zinc/43/79/71/1069437971.db2.gz XCIRVNPSCGDBOD-XMMPIXPASA-N 1 0 477.675 3.473 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001305883652 1069438008 /nfs/dbraw/zinc/43/80/08/1069438008.db2.gz XCIRVNPSCGDBOD-DEOSSOPVSA-N 1 0 477.675 3.473 20 0 JGADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001305885040 1069440638 /nfs/dbraw/zinc/44/06/38/1069440638.db2.gz ZVVIROJYBWLVFR-YADARESESA-N 1 0 455.607 3.053 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC001305885188 1069440649 /nfs/dbraw/zinc/44/06/49/1069440649.db2.gz HUBMCLKWJNMTEC-RUZDIDTESA-N 1 0 450.587 3.334 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001305886170 1069442517 /nfs/dbraw/zinc/44/25/17/1069442517.db2.gz IUKWVXHHCPKSQZ-RCZVLFRGSA-N 1 0 457.619 3.316 20 0 JGADRO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305893488 1069450518 /nfs/dbraw/zinc/45/05/18/1069450518.db2.gz LHLCOKCKJSDGLC-FHWLQOOXSA-N 1 0 454.685 3.025 20 0 JGADRO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305893494 1069450598 /nfs/dbraw/zinc/45/05/98/1069450598.db2.gz LHLCOKCKJSDGLC-QYZOEREBSA-N 1 0 454.685 3.025 20 0 JGADRO CCC1(CC)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+](C)C)CCS1 ZINC001305897427 1069454464 /nfs/dbraw/zinc/45/44/64/1069454464.db2.gz BZJIZOAKMOKKFV-INIZCTEOSA-N 1 0 450.678 3.332 20 0 JGADRO CCc1ccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cnccn2)[NH+](C)C)cc1 ZINC001305914610 1069469272 /nfs/dbraw/zinc/46/92/72/1069469272.db2.gz CSPJWVZIYURYTR-JOCHJYFZSA-N 1 0 485.596 3.217 20 0 JGADRO CCc1ccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cnn(C)c2C)[NH+](C)C)cc1 ZINC001305914326 1069469296 /nfs/dbraw/zinc/46/92/96/1069469296.db2.gz BRMAZYHDAJWVSC-HSZRJFAPSA-N 1 0 461.618 3.222 20 0 JGADRO CCc1ccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001305914690 1069469768 /nfs/dbraw/zinc/46/97/68/1069469768.db2.gz FEAZLOOYMOMCAC-OAQYLSRUSA-N 1 0 477.613 3.406 20 0 JGADRO CCc1ccc([C@H](Cn2c(C)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001305915513 1069470265 /nfs/dbraw/zinc/47/02/65/1069470265.db2.gz INGLAFFBMBYKOA-FQEVSTJZSA-N 1 0 466.552 3.347 20 0 JGADRO CCc1ccc([C@@H](Cn2c(C)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001305915515 1069470297 /nfs/dbraw/zinc/47/02/97/1069470297.db2.gz INGLAFFBMBYKOA-HXUWFJFHSA-N 1 0 466.552 3.347 20 0 JGADRO CCc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001305915818 1069470320 /nfs/dbraw/zinc/47/03/20/1069470320.db2.gz APCCDFZYDPPLFT-NHCUHLMSSA-N 1 0 459.660 3.251 20 0 JGADRO CCc1ccc([C@H](Cn2c(C(C)C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)[NH+](C)C)cc1 ZINC001305915491 1069470389 /nfs/dbraw/zinc/47/03/89/1069470389.db2.gz IGELWRRPJBKHMW-RDPSFJRHSA-N 1 0 481.689 3.056 20 0 JGADRO CCc1ccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)C(C)C)CC2)[NH+](C)C)cc1 ZINC001305917954 1069472603 /nfs/dbraw/zinc/47/26/03/1069472603.db2.gz PWJYUDQFHKTYHJ-HSZRJFAPSA-N 1 0 463.630 3.443 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@@H](C)CC)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)[NH+](C)C)cc1 ZINC001305918516 1069473729 /nfs/dbraw/zinc/47/37/29/1069473729.db2.gz SKVYQFJSYRDOPB-BWAGFHJFSA-N 1 0 493.660 3.189 20 0 JGADRO CCc1ccc([C@H](Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)[NH+](C)C)cc1 ZINC001305919659 1069474670 /nfs/dbraw/zinc/47/46/70/1069474670.db2.gz POUMFLJCDKEJJQ-AVRDEDQJSA-N 1 0 454.619 3.373 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](CC(N)=O)C2)[NH+](C)C)cc1 ZINC001305919258 1069474711 /nfs/dbraw/zinc/47/47/11/1069474711.db2.gz OBUAWMSEKJQSGN-PMVMPFDFSA-N 1 0 468.646 3.477 20 0 JGADRO CCc1ccc([C@@H](Cn2c(-c3cccn3C)nnc2N2CCCN(CC)C(=O)C2)[NH+](C)C)cc1 ZINC001305920226 1069475340 /nfs/dbraw/zinc/47/53/40/1069475340.db2.gz XHKGJDXOXXEHFK-HSZRJFAPSA-N 1 0 463.630 3.208 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC(=O)N(C)C[C@H]2C)[NH+](C)C)cc1 ZINC001305920803 1069476348 /nfs/dbraw/zinc/47/63/48/1069476348.db2.gz UQUJQODGKDEUTP-COPCDDAFSA-N 1 0 454.619 3.052 20 0 JGADRO CCc1ccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)[NH+](C)C)cc1 ZINC001305920639 1069476369 /nfs/dbraw/zinc/47/63/69/1069476369.db2.gz UAKZGPCJUCJVLH-HYBUGGRVSA-N 1 0 492.672 3.237 20 0 JGADRO CCc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC001305920731 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/nfs/dbraw/zinc/13/71/41/1064137141.db2.gz RPMVPBIDNXLSHI-GAJHUEQPSA-N 1 0 493.077 3.338 20 0 JGADRO CN(CC(C)(C)C)c1nnc([C@H]2CCCOC2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001298231818 1064139679 /nfs/dbraw/zinc/13/96/79/1064139679.db2.gz UTQKXDGSCWPUIY-QHCPKHFHSA-N 1 0 454.663 3.472 20 0 JGADRO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001298236376 1064141952 /nfs/dbraw/zinc/14/19/52/1064141952.db2.gz SZZWZGCUILYACH-QFIPXVFZSA-N 1 0 469.678 3.255 20 0 JGADRO CN(CC(F)(F)F)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1OCCC1(C)C ZINC001298251413 1064150732 /nfs/dbraw/zinc/15/07/32/1064150732.db2.gz GZPIVSXSUHWCRC-FQEVSTJZSA-N 1 0 480.579 3.456 20 0 JGADRO CN(CC(F)(F)F)c1nnc(COc2ccc(F)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298252701 1064152229 /nfs/dbraw/zinc/15/22/29/1064152229.db2.gz TUJSFXOTSNVZPW-UHFFFAOYSA-N 1 0 458.504 3.021 20 0 JGADRO Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c(C)c1 ZINC001298265939 1064159429 /nfs/dbraw/zinc/15/94/29/1064159429.db2.gz ATSCBLXJMWZBBX-UHFFFAOYSA-N 1 0 457.640 3.451 20 0 JGADRO O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NC[C@H]1CCCC[N@H+]1CCO ZINC001298289727 1064175378 /nfs/dbraw/zinc/17/53/78/1064175378.db2.gz USGKXLDSTPYXDV-LJQANCHMSA-N 1 0 456.974 3.232 20 0 JGADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298290613 1064176492 /nfs/dbraw/zinc/17/64/92/1064176492.db2.gz XXTFGOHVCMEXFN-IBGZPJMESA-N 1 0 486.418 3.111 20 0 JGADRO CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cnccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298303424 1064183848 /nfs/dbraw/zinc/18/38/48/1064183848.db2.gz OBSHKTLNXDSQQW-UHFFFAOYSA-N 1 0 473.000 3.190 20 0 JGADRO CN(Cc1ccc(F)c(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCC1 ZINC001298305996 1064185878 /nfs/dbraw/zinc/18/58/78/1064185878.db2.gz UPVYVESVARAUNM-IBGZPJMESA-N 1 0 481.613 3.361 20 0 JGADRO CN(Cc1ccc(F)cc1F)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001298312304 1064187980 /nfs/dbraw/zinc/18/79/80/1064187980.db2.gz IQFWNOSIJXIFFQ-NRFANRHFSA-N 1 0 456.541 3.025 20 0 JGADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(C(C)(C)C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298316858 1064191577 /nfs/dbraw/zinc/19/15/77/1064191577.db2.gz HRZXTYCCAQKMPO-JOCHJYFZSA-N 1 0 465.689 3.053 20 0 JGADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc(Cc2ccccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001298317202 1064192544 /nfs/dbraw/zinc/19/25/44/1064192544.db2.gz NBYJAEKXRXEKON-UHFFFAOYSA-N 1 0 496.681 3.426 20 0 JGADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001298317351 1064192559 /nfs/dbraw/zinc/19/25/59/1064192559.db2.gz RIJZPVAHKYPMJK-UNMCSNQZSA-N 1 0 489.686 3.332 20 0 JGADRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@@H]2CCOC2)n1CC[N@H+](C)C1CCCCC1 ZINC001298317367 1064192995 /nfs/dbraw/zinc/19/29/95/1064192995.db2.gz RQMIRSHMNXIXMI-HXUWFJFHSA-N 1 0 475.659 3.086 20 0 JGADRO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001298317801 1064193552 /nfs/dbraw/zinc/19/35/52/1064193552.db2.gz AJJQVYVGDHZTFD-HXUWFJFHSA-N 1 0 452.580 3.128 20 0 JGADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(-c2cnccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001298318843 1064194556 /nfs/dbraw/zinc/19/45/56/1064194556.db2.gz DBIQLTAFKWMISV-AUSOSSAASA-N 1 0 481.651 3.473 20 0 JGADRO O=C(CC1CCCCC1)NC1CCC(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC001298320859 1064196248 /nfs/dbraw/zinc/19/62/48/1064196248.db2.gz KFSFGNUHAOSLPT-PUOLSWATSA-N 1 0 455.643 3.167 20 0 JGADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(CC2CCCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298321008 1064196921 /nfs/dbraw/zinc/19/69/21/1064196921.db2.gz BJOFLZIYYZLJDU-UUWRZZSWSA-N 1 0 486.730 3.411 20 0 JGADRO CN(Cc1ccc([S@](C)=O)cc1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298321597 1064197460 /nfs/dbraw/zinc/19/74/60/1064197460.db2.gz VXEFEJDDMMXBTQ-CGKQSPDFSA-N 1 0 459.660 3.278 20 0 JGADRO CN(Cc1ccc2c(c1)OCCO2)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCC(O)CC1 ZINC001298324617 1064199630 /nfs/dbraw/zinc/19/96/30/1064199630.db2.gz TWPBZGBVNMRHEC-UHFFFAOYSA-N 1 0 457.619 3.121 20 0 JGADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298328050 1064203255 /nfs/dbraw/zinc/20/32/55/1064203255.db2.gz CIKOEFGMAPIJTQ-ROUUACIJSA-N 1 0 450.509 3.225 20 0 JGADRO CN(Cc1cccc(C(N)=O)c1)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CC=CCC1 ZINC001298331587 1064206111 /nfs/dbraw/zinc/20/61/11/1064206111.db2.gz MZRARHVGRMCDLV-UHFFFAOYSA-N 1 0 484.402 3.033 20 0 JGADRO CN(Cc1cccc(Cl)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001298338316 1064208358 /nfs/dbraw/zinc/20/83/58/1064208358.db2.gz UFIZINQFFMRWRX-SFHVURJKSA-N 1 0 466.051 3.344 20 0 JGADRO CN(Cc1ccccc1)C(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001298343652 1064211426 /nfs/dbraw/zinc/21/14/26/1064211426.db2.gz LJIQLFALYALMLS-HSZRJFAPSA-N 1 0 482.673 3.074 20 0 JGADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001298350985 1064214767 /nfs/dbraw/zinc/21/47/67/1064214767.db2.gz PBYLHQGBNFNKET-QHCPKHFHSA-N 1 0 491.640 3.499 20 0 JGADRO C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001298351613 1064215294 /nfs/dbraw/zinc/21/52/94/1064215294.db2.gz WGXIDXFDXJNMPI-QFIPXVFZSA-N 1 0 473.687 3.359 20 0 JGADRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N(C)Cc3ccco3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001298376570 1064225022 /nfs/dbraw/zinc/22/50/22/1064225022.db2.gz ZHQNFGCVXRLFNV-UHFFFAOYSA-N 1 0 486.642 3.299 20 0 JGADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001298378633 1064226182 /nfs/dbraw/zinc/22/61/82/1064226182.db2.gz MILJAWNPBPGCEO-DEOSSOPVSA-N 1 0 457.640 3.280 20 0 JGADRO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1OC ZINC001298379108 1064226539 /nfs/dbraw/zinc/22/65/39/1064226539.db2.gz ZAQVGFPJYXUAOH-ZYSHUDEJSA-N 1 0 453.539 3.117 20 0 JGADRO CN(Cc1cnccn1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1 ZINC001298410195 1064239870 /nfs/dbraw/zinc/23/98/70/1064239870.db2.gz SNELVQIXSLJAJK-HXUWFJFHSA-N 1 0 482.633 3.081 20 0 JGADRO CN(Cc1ccoc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298419487 1064243950 /nfs/dbraw/zinc/24/39/50/1064243950.db2.gz XPZVJNNAWZAQCS-PMACEKPBSA-N 1 0 474.606 3.156 20 0 JGADRO CN(Cc1ccoc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CC=CCC1 ZINC001298419614 1064243961 /nfs/dbraw/zinc/24/39/61/1064243961.db2.gz ZFZHZDWNMHNNJC-FQEVSTJZSA-N 1 0 472.590 3.078 20 0 JGADRO CN(Cc1ccoc1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C1CC1)[NH+](C)C ZINC001298419489 1064244127 /nfs/dbraw/zinc/24/41/27/1064244127.db2.gz XPZVJNNAWZAQCS-UXHICEINSA-N 1 0 474.606 3.156 20 0 JGADRO CN(Cc1csc(Br)c1)c1nnc(-c2cnn(C)c2)n1CC[NH+]1CCCC1 ZINC001298421511 1064245023 /nfs/dbraw/zinc/24/50/23/1064245023.db2.gz WBDOWHQKQFEWLZ-UHFFFAOYSA-N 1 0 450.410 3.235 20 0 JGADRO CN(Cc1nc(C(F)(F)F)cs1)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCCC1 ZINC001298440659 1064253845 /nfs/dbraw/zinc/25/38/45/1064253845.db2.gz FXWBJUHJHDPMBW-UHFFFAOYSA-N 1 0 454.526 3.276 20 0 JGADRO 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CN(CCOC(C)(C)C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298752372 1064562048 /nfs/dbraw/zinc/56/20/48/1064562048.db2.gz AVAPUKNFLHIOKA-QHCPKHFHSA-N 1 0 461.632 3.362 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001298753733 1064563433 /nfs/dbraw/zinc/56/34/33/1064563433.db2.gz UOINGHMQIPALFL-PKTZIBPZSA-N 1 0 471.646 3.038 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001298754913 1064565052 /nfs/dbraw/zinc/56/50/52/1064565052.db2.gz WQCPXKWMTFYSDW-HXUWFJFHSA-N 1 0 460.598 3.094 20 0 JGADRO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2F)n1CC[N@H+](C)C1CCCCC1 ZINC001298775513 1064580580 /nfs/dbraw/zinc/58/05/80/1064580580.db2.gz KFMXENUYMPQQAP-UHFFFAOYSA-N 1 0 472.030 3.483 20 0 JGADRO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Br)cc2)n1CC[NH+]1CCCCCC1 ZINC001298775614 1064581069 /nfs/dbraw/zinc/58/10/69/1064581069.db2.gz PAJIDIVSTCEMKN-UHFFFAOYSA-N 1 0 484.464 3.064 20 0 JGADRO CN(CCS(C)(=O)=O)c1nnc(-c2ccccc2Br)n1CC(C)(C)C[NH+]1CCCC1 ZINC001298776905 1064583309 /nfs/dbraw/zinc/58/33/09/1064583309.db2.gz VJLVWKJXLHVJGH-UHFFFAOYSA-N 1 0 498.491 3.310 20 0 JGADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@@H]1CCOC1 ZINC001298801861 1064600011 /nfs/dbraw/zinc/60/00/11/1064600011.db2.gz RREOTVGYCCGIDZ-MRXNPFEDSA-N 1 0 465.440 3.393 20 0 JGADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccc(Cl)nc3)CC2)cn1 ZINC001298828041 1064632254 /nfs/dbraw/zinc/63/22/54/1064632254.db2.gz LBPFSUVOTPKVIB-UHFFFAOYSA-N 1 0 457.026 3.409 20 0 JGADRO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N(CCN1CCOCC1)Cc1sccc1Br ZINC001298839869 1064642347 /nfs/dbraw/zinc/64/23/47/1064642347.db2.gz KJLYFPGRFLAOCI-FUHWJXTLSA-N 1 0 456.450 3.188 20 0 JGADRO Cn1cccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001298853746 1064656329 /nfs/dbraw/zinc/65/63/29/1064656329.db2.gz CTYQZJHFNUCDJY-FQEVSTJZSA-N 1 0 458.651 3.304 20 0 JGADRO Cn1cccc1-c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCOCC(F)F ZINC001298861622 1064664611 /nfs/dbraw/zinc/66/46/11/1064664611.db2.gz KWCPZJWPZCABNR-UHFFFAOYSA-N 1 0 462.520 3.417 20 0 JGADRO Cn1cccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298862775 1064666684 /nfs/dbraw/zinc/66/66/84/1064666684.db2.gz XIOABFNTLMKYPK-UHFFFAOYSA-N 1 0 470.666 3.036 20 0 JGADRO CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298879229 1064684220 /nfs/dbraw/zinc/68/42/20/1064684220.db2.gz NQDNISXOLYVHBT-IERDGZPVSA-N 1 0 454.402 3.324 20 0 JGADRO CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298881196 1064686666 /nfs/dbraw/zinc/68/66/66/1064686666.db2.gz DAMUPVFQVJMHAM-KSFYIVLOSA-N 1 0 484.428 3.093 20 0 JGADRO CN(CCC(F)F)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298880833 1064686802 /nfs/dbraw/zinc/68/68/02/1064686802.db2.gz XQXSVGRCHZEKSN-HSZRJFAPSA-N 1 0 461.513 3.275 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccccc3F)nnc2N2CCC(CC(F)(F)F)CC2)C1 ZINC001298881433 1064687623 /nfs/dbraw/zinc/68/76/23/1064687623.db2.gz FSWCUZCEUYOKFQ-NRFANRHFSA-N 1 0 455.500 3.243 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001298881897 1064688550 /nfs/dbraw/zinc/68/85/50/1064688550.db2.gz MSTDTAYLYNPSHI-RDPSFJRHSA-N 1 0 462.038 3.373 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001298881772 1064688653 /nfs/dbraw/zinc/68/86/53/1064688653.db2.gz KHQQFADAKNUJJO-BKMJKUGQSA-N 1 0 455.647 3.304 20 0 JGADRO CN(CCc1ccc(Br)cc1)c1nnc(CC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298882818 1064689289 /nfs/dbraw/zinc/68/92/89/1064689289.db2.gz ZXBJUNUOEVHURE-QFIPXVFZSA-N 1 0 464.452 3.375 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001298882267 1064689441 /nfs/dbraw/zinc/68/94/41/1064689441.db2.gz TVYMHPIROAINOS-AUSIDOKSSA-N 1 0 492.462 3.274 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC001298882269 1064689491 /nfs/dbraw/zinc/68/94/91/1064689491.db2.gz TVYMHPIROAINOS-WMZHIEFXSA-N 1 0 492.462 3.274 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001298885662 1064692024 /nfs/dbraw/zinc/69/20/24/1064692024.db2.gz APHOIHFUQJWXPJ-KURKYZTESA-N 1 0 486.583 3.145 20 0 JGADRO CN(Cc1ccccc1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298885580 1064692226 /nfs/dbraw/zinc/69/22/26/1064692226.db2.gz KVUOQZIXCJJWPR-CPJSRVTESA-N 1 0 470.618 3.053 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001298885664 1064692238 /nfs/dbraw/zinc/69/22/38/1064692238.db2.gz APHOIHFUQJWXPJ-SQNIBIBYSA-N 1 0 486.583 3.145 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001298885980 1064692840 /nfs/dbraw/zinc/69/28/40/1064692840.db2.gz CEZPBTKUNJTSKK-NJYVYQBISA-N 1 0 474.694 3.424 20 0 JGADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001298886279 1064693794 /nfs/dbraw/zinc/69/37/94/1064693794.db2.gz DYHMMBUWVNZPIG-HXUWFJFHSA-N 1 0 475.037 3.156 20 0 JGADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001298886772 1064694805 /nfs/dbraw/zinc/69/48/05/1064694805.db2.gz GMZWQIJLNKLZSM-KRWDZBQOSA-N 1 0 473.691 3.121 20 0 JGADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001298887418 1064696663 /nfs/dbraw/zinc/69/66/63/1064696663.db2.gz JMYIQORJJGGFEO-SFHVURJKSA-N 1 0 493.578 3.072 20 0 JGADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)CC2)cc1 ZINC001298887775 1064697298 /nfs/dbraw/zinc/69/72/98/1064697298.db2.gz NEDSQQNDJWSIPX-RDPSFJRHSA-N 1 0 455.624 3.175 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001298888292 1064697821 /nfs/dbraw/zinc/69/78/21/1064697821.db2.gz NUOMQKVWVKBYSX-FXAWDEMLSA-N 1 0 475.037 3.333 20 0 JGADRO CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCOC1 ZINC001298888699 1064698727 /nfs/dbraw/zinc/69/87/27/1064698727.db2.gz OIURIPVPPXEUOB-WCIQWLHISA-N 1 0 476.666 3.394 20 0 JGADRO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC001298888914 1064698842 /nfs/dbraw/zinc/69/88/42/1064698842.db2.gz PQCMMUMBSUMMHU-ZTCOLXNVSA-N 1 0 457.640 3.467 20 0 JGADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCCOc2ccc(F)cc2)CC1 ZINC001298890003 1064699246 /nfs/dbraw/zinc/69/92/46/1064699246.db2.gz YGJKLFXDEGGDKQ-QFIPXVFZSA-N 1 0 486.636 3.317 20 0 JGADRO C[N@@H+]1CCN(CCn2c(C3CCCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001298897337 1064703326 /nfs/dbraw/zinc/70/33/26/1064703326.db2.gz MGPMPCYPMBIJMX-HXUWFJFHSA-N 1 0 475.682 3.065 20 0 JGADRO C[N@@H+]1CCN(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001298898908 1064704593 /nfs/dbraw/zinc/70/45/93/1064704593.db2.gz YGRLKDVGBMQCNA-GOSISDBHSA-N 1 0 486.970 3.392 20 0 JGADRO CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)C1 ZINC001298910891 1064712657 /nfs/dbraw/zinc/71/26/57/1064712657.db2.gz ZPNQMAGXXIITCE-XZOQPEGZSA-N 1 0 456.631 3.195 20 0 JGADRO CNC(=O)C(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001298914707 1064714161 /nfs/dbraw/zinc/71/41/61/1064714161.db2.gz CCBYHIRFHNJGNT-ZWKOTPCHSA-N 1 0 493.052 3.001 20 0 JGADRO CNC(=O)C(C)(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001298914706 1064714202 /nfs/dbraw/zinc/71/42/02/1064714202.db2.gz CCBYHIRFHNJGNT-ROUUACIJSA-N 1 0 493.052 3.001 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001298917081 1064718438 /nfs/dbraw/zinc/71/84/38/1064718438.db2.gz TURVACCVPBRNBA-QAPCUYQASA-N 1 0 475.435 3.153 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001298921349 1064721600 /nfs/dbraw/zinc/72/16/00/1064721600.db2.gz KDVYJVGODBESAH-GOSISDBHSA-N 1 0 450.587 3.329 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001298928966 1064728349 /nfs/dbraw/zinc/72/83/49/1064728349.db2.gz VKFGQRAHQLHGPG-UHFFFAOYSA-N 1 0 454.619 3.181 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001298929039 1064728425 /nfs/dbraw/zinc/72/84/25/1064728425.db2.gz WKYAAOOGEPIJEI-UHFFFAOYSA-N 1 0 486.661 3.291 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001298938664 1064733001 /nfs/dbraw/zinc/73/30/01/1064733001.db2.gz CKDSJLKRDVBDPA-UHFFFAOYSA-N 1 0 480.682 3.376 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001298948051 1064739434 /nfs/dbraw/zinc/73/94/34/1064739434.db2.gz FVZBVMITLXKRIU-UHFFFAOYSA-N 1 0 463.026 3.250 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298951501 1064742382 /nfs/dbraw/zinc/74/23/82/1064742382.db2.gz YJLQWOBZWBQHOY-UHFFFAOYSA-N 1 0 486.661 3.196 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(SC)CC[NH+](C)CC1 ZINC001298952383 1064743821 /nfs/dbraw/zinc/74/38/21/1064743821.db2.gz DAJNREYNDRNYSZ-MSOLQXFVSA-N 1 0 492.665 3.203 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001298955199 1064747121 /nfs/dbraw/zinc/74/71/21/1064747121.db2.gz YBJIGNIYLVVRBL-AABGKKOBSA-N 1 0 474.625 3.496 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1CC1([NH+](C)C)CCCC1 ZINC001298961098 1064749118 /nfs/dbraw/zinc/74/91/18/1064749118.db2.gz ZTRYMECIVXFHKL-MRXNPFEDSA-N 1 0 477.451 3.400 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1CC1([NH+](C)C)CCCC1 ZINC001298961095 1064749332 /nfs/dbraw/zinc/74/93/32/1064749332.db2.gz ZTRYMECIVXFHKL-INIZCTEOSA-N 1 0 477.451 3.400 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001298967501 1064757805 /nfs/dbraw/zinc/75/78/05/1064757805.db2.gz ZSQAZVKNWPESEE-JKSUJKDBSA-N 1 0 475.435 3.010 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001298969335 1064760536 /nfs/dbraw/zinc/76/05/36/1064760536.db2.gz BMGJOJPEMHEOTD-FQEVSTJZSA-N 1 0 461.614 3.193 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001298969614 1064760701 /nfs/dbraw/zinc/76/07/01/1064760701.db2.gz CIHKWKVCXGOKTA-YPAWHYETSA-N 1 0 492.672 3.317 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCC1 ZINC001298969860 1064760871 /nfs/dbraw/zinc/76/08/71/1064760871.db2.gz MFFBQWUQKDVUDH-OAHLLOKOSA-N 1 0 463.424 3.010 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001298969613 1064760971 /nfs/dbraw/zinc/76/09/71/1064760971.db2.gz CIHKWKVCXGOKTA-FDFHNCONSA-N 1 0 492.672 3.317 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2OC)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001298970221 1064761430 /nfs/dbraw/zinc/76/14/30/1064761430.db2.gz NHRYAAZBXPLVJJ-RTBURBONSA-N 1 0 456.635 3.283 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2OC)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001298970220 1064761486 /nfs/dbraw/zinc/76/14/86/1064761486.db2.gz NHRYAAZBXPLVJJ-RBUKOAKNSA-N 1 0 456.635 3.283 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001298970485 1064761893 /nfs/dbraw/zinc/76/18/93/1064761893.db2.gz PBZUUDFOJYJXMF-NQIIRXRSSA-N 1 0 484.645 3.045 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001298972374 1064762967 /nfs/dbraw/zinc/76/29/67/1064762967.db2.gz XGTCGSIFBMHSGL-HXUWFJFHSA-N 1 0 461.614 3.383 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1([NH+](C)C)CCCC1 ZINC001298979448 1064766193 /nfs/dbraw/zinc/76/61/93/1064766193.db2.gz QZWHNEWMSFCOND-GOSISDBHSA-N 1 0 465.602 3.293 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001298979716 1064766700 /nfs/dbraw/zinc/76/67/00/1064766700.db2.gz XDOZKHGGFBCVFD-RBUKOAKNSA-N 1 0 465.602 3.150 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001298979845 1064766740 /nfs/dbraw/zinc/76/67/40/1064766740.db2.gz ZDOUDYBZCUUFQU-XXBNENTESA-N 1 0 491.640 3.313 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001298986450 1064770360 /nfs/dbraw/zinc/77/03/60/1064770360.db2.gz XLZRMDBLESHNCG-DENIHFKCSA-N 1 0 468.646 3.175 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001298986461 1064770518 /nfs/dbraw/zinc/77/05/18/1064770518.db2.gz XLZRMDBLESHNCG-UGKGYDQZSA-N 1 0 468.646 3.175 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001298988824 1064771948 /nfs/dbraw/zinc/77/19/48/1064771948.db2.gz FUZQZTUTUAWBLR-JXFKEZNVSA-N 1 0 458.607 3.191 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccccc2F)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001298991415 1064774184 /nfs/dbraw/zinc/77/41/84/1064774184.db2.gz RGOXQMUBRDSDDM-SFHVURJKSA-N 1 0 479.604 3.178 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001299002156 1064780978 /nfs/dbraw/zinc/78/09/78/1064780978.db2.gz MUELPLMJOCWCQD-YADHBBJMSA-N 1 0 470.662 3.413 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001299002764 1064782260 /nfs/dbraw/zinc/78/22/60/1064782260.db2.gz NLDLJZUVSPNYCR-WOJBJXKFSA-N 1 0 458.676 3.429 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001299002726 1064782379 /nfs/dbraw/zinc/78/23/79/1064782379.db2.gz NAGOOXRGYUOFID-UNMCSNQZSA-N 1 0 468.646 3.309 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001299004855 1064786278 /nfs/dbraw/zinc/78/62/78/1064786278.db2.gz GVYHOCOFZPEOOS-UZUQRXQVSA-N 1 0 489.462 3.402 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001299006881 1064789318 /nfs/dbraw/zinc/78/93/18/1064789318.db2.gz PAVONFHRYBOGML-XMMPIXPASA-N 1 0 476.572 3.383 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001299011626 1064794835 /nfs/dbraw/zinc/79/48/35/1064794835.db2.gz BVTODYJPOVGMAV-GBXCKJPGSA-N 1 0 468.627 3.281 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001299012013 1064795408 /nfs/dbraw/zinc/79/54/08/1064795408.db2.gz DSFDYAQYAUSSDT-OSPHWJPCSA-N 1 0 475.037 3.301 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001299012012 1064795582 /nfs/dbraw/zinc/79/55/82/1064795582.db2.gz DSFDYAQYAUSSDT-MZNJEOGPSA-N 1 0 475.037 3.301 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299014962 1064797760 /nfs/dbraw/zinc/79/77/60/1064797760.db2.gz PASNHGJXMLHVLS-SRGWNRLKSA-N 1 0 493.027 3.199 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001299015538 1064798958 /nfs/dbraw/zinc/79/89/58/1064798958.db2.gz JDZYHZIQULUENP-WZONZLPQSA-N 1 0 456.978 3.457 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001299020568 1064804158 /nfs/dbraw/zinc/80/41/58/1064804158.db2.gz NWELBJOJMVMISZ-SQJMNOBHSA-N 1 0 465.577 3.053 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCC2)C1 ZINC001299025692 1064806985 /nfs/dbraw/zinc/80/69/85/1064806985.db2.gz AXGHQYTWKYQJEN-RUZDIDTESA-N 1 0 474.600 3.376 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CCc3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001299028480 1064813282 /nfs/dbraw/zinc/81/32/82/1064813282.db2.gz MZPSWFVBRZWTNF-LVXARBLLSA-N 1 0 452.647 3.290 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001299030854 1064817548 /nfs/dbraw/zinc/81/75/48/1064817548.db2.gz VOWNDHJWQAFANR-RLWLMLJZSA-N 1 0 452.647 3.494 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001299031653 1064818022 /nfs/dbraw/zinc/81/80/22/1064818022.db2.gz AIFHYMVIPGJZSJ-IDISGSTGSA-N 1 0 492.672 3.232 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc(C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)cc1 ZINC001299039085 1064828094 /nfs/dbraw/zinc/82/80/94/1064828094.db2.gz DXNAKOFRTUFHEB-UHFFFAOYSA-N 1 0 454.619 3.006 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCCCC2)C1 ZINC001299039697 1064829380 /nfs/dbraw/zinc/82/93/80/1064829380.db2.gz LZZIMKMTKVHWNK-DEOSSOPVSA-N 1 0 472.659 3.027 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001299041180 1064831510 /nfs/dbraw/zinc/83/15/10/1064831510.db2.gz FBJVVYZONHVCCX-NZQKXSOJSA-N 1 0 468.646 3.290 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001299041573 1064832152 /nfs/dbraw/zinc/83/21/52/1064832152.db2.gz HKLZDKMZNVIGMY-IATMXGELSA-N 1 0 468.646 3.289 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001299041630 1064832728 /nfs/dbraw/zinc/83/27/28/1064832728.db2.gz HWXHCQZAEFGQTE-QFIPXVFZSA-N 1 0 498.672 3.058 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001299041656 1064832864 /nfs/dbraw/zinc/83/28/64/1064832864.db2.gz IHTQPIDHLKRRGL-UHFFFAOYSA-N 1 0 475.641 3.382 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001299041672 1064832908 /nfs/dbraw/zinc/83/29/08/1064832908.db2.gz VEOSMTIXMWICGT-XMERXJNXSA-N 1 0 474.694 3.281 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001299042171 1064834441 /nfs/dbraw/zinc/83/44/41/1064834441.db2.gz YSLIHLRAEHJIQF-FHAGJXEFSA-N 1 0 460.667 3.034 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+](C)C)cc1 ZINC001299046262 1064838557 /nfs/dbraw/zinc/83/85/57/1064838557.db2.gz ZWCOLADZLGHUJL-IOMROCGXSA-N 1 0 456.635 3.143 20 0 JGADRO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(C(C)(C)C)n3CC[C@H](C)[NH+]3CCCCC3)C2)n1 ZINC001299059111 1064850497 /nfs/dbraw/zinc/85/04/97/1064850497.db2.gz CRNFUUSDIPBKCH-PMACEKPBSA-N 1 0 470.666 3.238 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCC2)C1 ZINC001299064869 1064861292 /nfs/dbraw/zinc/86/12/92/1064861292.db2.gz GGAKQZJXJQCKJI-RTWAWAEBSA-N 1 0 468.646 3.482 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2([NH+](C)C)CCC2)C1 ZINC001299064867 1064861402 /nfs/dbraw/zinc/86/14/02/1064861402.db2.gz GGAKQZJXJQCKJI-LEWJYISDSA-N 1 0 468.646 3.482 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001299065433 1064862099 /nfs/dbraw/zinc/86/20/99/1064862099.db2.gz HPNUVKXOCUIVDT-PMACEKPBSA-N 1 0 472.609 3.396 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001299084421 1064888110 /nfs/dbraw/zinc/88/81/10/1064888110.db2.gz AQTFUHAXUVWDLP-JOCHJYFZSA-N 1 0 495.697 3.485 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCCC[NH+]2CCCC2)C1 ZINC001299085339 1064890081 /nfs/dbraw/zinc/89/00/81/1064890081.db2.gz KSJCQOZRBAHGJR-OAQYLSRUSA-N 1 0 456.610 3.237 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001299085087 1064890261 /nfs/dbraw/zinc/89/02/61/1064890261.db2.gz KCGOPXZRSFZCSG-PKTZIBPZSA-N 1 0 452.647 3.260 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCCC[NH+]2CCCC2)C1 ZINC001299085338 1064890290 /nfs/dbraw/zinc/89/02/90/1064890290.db2.gz KSJCQOZRBAHGJR-NRFANRHFSA-N 1 0 456.610 3.237 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001299086285 1064891578 /nfs/dbraw/zinc/89/15/78/1064891578.db2.gz OWPINOSDDGNWCH-FGZHOGPDSA-N 1 0 470.637 3.338 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001299089039 1064895081 /nfs/dbraw/zinc/89/50/81/1064895081.db2.gz VFRJDKGLVPOBOD-QNWVGRARSA-N 1 0 482.673 3.028 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001299096945 1064901895 /nfs/dbraw/zinc/90/18/95/1064901895.db2.gz OVHWYVHVEIGJMG-XXAUWVGASA-N 1 0 482.673 3.373 20 0 JGADRO 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CNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001299108909 1064916676 /nfs/dbraw/zinc/91/66/76/1064916676.db2.gz ASFAYQOUEBEDRJ-GOSISDBHSA-N 1 0 450.587 3.329 20 0 JGADRO CNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCCCC[NH+]2CCCC2)CC1 ZINC001299118913 1064926267 /nfs/dbraw/zinc/92/62/67/1064926267.db2.gz QUAKRLOFYSECAB-UHFFFAOYSA-N 1 0 452.647 3.406 20 0 JGADRO CNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001299118756 1064926352 /nfs/dbraw/zinc/92/63/52/1064926352.db2.gz HHVUDEFLPOKJDG-UHFFFAOYSA-N 1 0 482.673 3.352 20 0 JGADRO CNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001299119110 1064927709 /nfs/dbraw/zinc/92/77/09/1064927709.db2.gz VSXXGZXRCIOOLV-LJQANCHMSA-N 1 0 456.610 3.091 20 0 JGADRO CNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001299120309 1064929565 /nfs/dbraw/zinc/92/95/65/1064929565.db2.gz URDBROJMZQBAFW-QFIPXVFZSA-N 1 0 496.681 3.399 20 0 JGADRO CNC(=O)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001299125019 1064932733 /nfs/dbraw/zinc/93/27/33/1064932733.db2.gz ULSRIIVKLSBFRO-UHFFFAOYSA-N 1 0 468.646 3.311 20 0 JGADRO COc1ccc(NC(=O)COc2ccc(C(=O)NCC[C@H]3CCC[N@H+](C)C3)cc2OC)cc1 ZINC001299126912 1064933862 /nfs/dbraw/zinc/93/38/62/1064933862.db2.gz OZZRYYRHGVYBMK-GOSISDBHSA-N 1 0 455.555 3.183 20 0 JGADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001299127719 1064934458 /nfs/dbraw/zinc/93/44/58/1064934458.db2.gz HUVRGGPWXFQSAW-PUHATCMVSA-N 1 0 498.672 3.107 20 0 JGADRO COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC001299127960 1064935197 /nfs/dbraw/zinc/93/51/97/1064935197.db2.gz WYPAEGUHKNBRKK-IBGZPJMESA-N 1 0 459.612 3.290 20 0 JGADRO COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC001299127961 1064935266 /nfs/dbraw/zinc/93/52/66/1064935266.db2.gz WYPAEGUHKNBRKK-LJQANCHMSA-N 1 0 459.612 3.290 20 0 JGADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](CC(C)C)[NH+](C)C)CCO1 ZINC001299133287 1064940767 /nfs/dbraw/zinc/94/07/67/1064940767.db2.gz GQESCBPGRIQMNH-LPHOPBHVSA-N 1 0 483.444 3.179 20 0 JGADRO CO[C@]1(C)CCCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001299756145 1064955117 /nfs/dbraw/zinc/95/51/17/1064955117.db2.gz JRKPBPLFZDZUBB-RUZDIDTESA-N 1 0 450.587 3.334 20 0 JGADRO CO[C@]1(C)CCCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001299764648 1064960999 /nfs/dbraw/zinc/96/09/99/1064960999.db2.gz YPUBUOGDZUCJRP-XMMPIXPASA-N 1 0 477.600 3.388 20 0 JGADRO CO[C@]1(C)CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001299765399 1064962218 /nfs/dbraw/zinc/96/22/18/1064962218.db2.gz SIIGYWILHLLTIM-SQJMNOBHSA-N 1 0 457.619 3.166 20 0 JGADRO CO[C@]1(C)CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(F)(F)F)C1 ZINC001299768265 1064965187 /nfs/dbraw/zinc/96/51/87/1064965187.db2.gz MRONXZNCQXTAHD-JOCHJYFZSA-N 1 0 466.552 3.210 20 0 JGADRO CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001299773030 1064972562 /nfs/dbraw/zinc/97/25/62/1064972562.db2.gz LMSJXVWETWRTPJ-OFVILXPXSA-N 1 0 457.619 3.018 20 0 JGADRO CO[C@@]1(C)CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001299773491 1064972908 /nfs/dbraw/zinc/97/29/08/1064972908.db2.gz YXLSXCKKLWYTMQ-SANMLTNESA-N 1 0 481.645 3.134 20 0 JGADRO CO[C@@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001299773340 1064973224 /nfs/dbraw/zinc/97/32/24/1064973224.db2.gz AJPRYCZOLUNTAB-NOTUOJBMSA-N 1 0 490.737 3.476 20 0 JGADRO COC1(C)CN(c2nnc(-c3ccccc3Br)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001299778505 1064977376 /nfs/dbraw/zinc/97/73/76/1064977376.db2.gz OQDASMPMIDOZAZ-LJQANCHMSA-N 1 0 478.435 3.290 20 0 JGADRO COC1(C)CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001299779454 1064978537 /nfs/dbraw/zinc/97/85/37/1064978537.db2.gz KFTRBWHCLMMRLA-IBGZPJMESA-N 1 0 478.435 3.290 20 0 JGADRO COC1(C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001299784499 1064981650 /nfs/dbraw/zinc/98/16/50/1064981650.db2.gz KIJIOCRGQZFISK-WOJBJXKFSA-N 1 0 492.665 3.076 20 0 JGADRO COC1(C)CN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001299785366 1064982851 /nfs/dbraw/zinc/98/28/51/1064982851.db2.gz HHFMESZXAZCUQY-UHFFFAOYSA-N 1 0 466.424 3.433 20 0 JGADRO COC1(C)CN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001299785898 1064982985 /nfs/dbraw/zinc/98/29/85/1064982985.db2.gz HJHDPNPJGCAYPM-UHFFFAOYSA-N 1 0 466.051 3.296 20 0 JGADRO CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC001299789066 1064985514 /nfs/dbraw/zinc/98/55/14/1064985514.db2.gz HXFPSUJSZKDSGX-QFIPXVFZSA-N 1 0 452.020 3.210 20 0 JGADRO COC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccc(C)c3)CC2)CCCCC1 ZINC001299794838 1064991206 /nfs/dbraw/zinc/99/12/06/1064991206.db2.gz MDYPSGVCLKZGJK-UHFFFAOYSA-N 1 0 468.646 3.396 20 0 JGADRO CO[C@@]1(Cn2c(-c3ccccc3Br)nnc2N2CC[NH+](CC(C)C)CC2)CCOC1 ZINC001299801403 1064999443 /nfs/dbraw/zinc/99/94/43/1064999443.db2.gz LFYACSVZJAXIBF-JOCHJYFZSA-N 1 0 478.435 3.291 20 0 JGADRO COC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CCC(C)CC1 ZINC001299809879 1065005173 /nfs/dbraw/zinc/00/51/73/1065005173.db2.gz SRXJZRORCRZZFG-YAQMXYOYSA-N 1 0 495.734 3.332 20 0 JGADRO Cc1c(Cl)c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)sc1S(N)(=O)=O ZINC001299811592 1065006972 /nfs/dbraw/zinc/00/69/72/1065006972.db2.gz RXSMUAKNJMBKBL-DOTOQJQBSA-N 1 0 454.017 3.239 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC1(c2ccccc2Cl)CC1 ZINC001299817908 1065011860 /nfs/dbraw/zinc/01/18/60/1065011860.db2.gz IAFSSEVBANEGCS-UHFFFAOYSA-N 1 0 450.004 3.298 20 0 JGADRO CC(C)N(C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001299817962 1065011963 /nfs/dbraw/zinc/01/19/63/1065011963.db2.gz JKUBIXKQENKELQ-GFJKYASSSA-N 1 0 456.608 3.467 20 0 JGADRO COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c1 ZINC001299819247 1065013023 /nfs/dbraw/zinc/01/30/23/1065013023.db2.gz AJXFEUPPOJGBMN-FGZHOGPDSA-N 1 0 459.612 3.287 20 0 JGADRO COc1cc(C)nc(N2CCN(c3nnc(-c4ccccc4C)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001299833453 1065024946 /nfs/dbraw/zinc/02/49/46/1065024946.db2.gz CMDPLZIUFGFDMR-UHFFFAOYSA-N 1 0 478.645 3.275 20 0 JGADRO COc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001299834972 1065026600 /nfs/dbraw/zinc/02/66/00/1065026600.db2.gz SIIILGYPFIDCLY-IBGZPJMESA-N 1 0 470.666 3.346 20 0 JGADRO COc1cc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@H](C)[N@H+](C)C2CC2)cc(OC)c1OC ZINC001299836982 1065029517 /nfs/dbraw/zinc/02/95/17/1065029517.db2.gz OZGAPKIXXQIAMH-YJBOKZPZSA-N 1 0 461.632 3.395 20 0 JGADRO COc1cc(-c2nnc(N3CC(C)(OC)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC001299844361 1065043013 /nfs/dbraw/zinc/04/30/13/1065043013.db2.gz LYANATCWHODGNH-SFHVURJKSA-N 1 0 473.618 3.316 20 0 JGADRO COc1cc(-c2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[NH+]2CCCC2)cc(OC)c1OC ZINC001299844575 1065043348 /nfs/dbraw/zinc/04/33/48/1065043348.db2.gz UCPWFFKGTVSHDQ-DNVCBOLYSA-N 1 0 499.534 3.223 20 0 JGADRO COc1cc(-c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[NH+]2CCCC2)cc(OC)c1OC ZINC001299844577 1065043401 /nfs/dbraw/zinc/04/34/01/1065043401.db2.gz UCPWFFKGTVSHDQ-KXBFYZLASA-N 1 0 499.534 3.223 20 0 JGADRO COc1cc(-c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc(OC)c1OC ZINC001299845019 1065044841 /nfs/dbraw/zinc/04/48/41/1065044841.db2.gz XIUMSYNHTGFAKK-SFHLNBCPSA-N 1 0 487.645 3.300 20 0 JGADRO COc1cc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc(OC)c1OC ZINC001299848379 1065050669 /nfs/dbraw/zinc/05/06/69/1065050669.db2.gz PNCYNLLJTSRMDY-XWFZLUIHSA-N 1 0 473.618 3.172 20 0 JGADRO COc1cc(-c2nnc(N3CC[C@H](C)[C@H]3C)n2CC2(O)CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC001299848411 1065050694 /nfs/dbraw/zinc/05/06/94/1065050694.db2.gz QHJVSMXKQNHBKJ-RBUKOAKNSA-N 1 0 487.645 3.441 20 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COc1cc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299857385 1065066879 /nfs/dbraw/zinc/06/68/79/1065066879.db2.gz OVLWSWUNVFEVCR-QGZVFWFLSA-N 1 0 466.577 3.078 20 0 JGADRO COc1cc(-c2nnc(N3CCCOCC3)n2CCC[NH+]2CCCCC2)cc(OC)c1OC ZINC001299858055 1065069449 /nfs/dbraw/zinc/06/94/49/1065069449.db2.gz HXQDXCPJUYVYBO-UHFFFAOYSA-N 1 0 459.591 3.074 20 0 JGADRO COc1cc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)ccc1OC(C)C ZINC001299858505 1065070427 /nfs/dbraw/zinc/07/04/27/1065070427.db2.gz PIGRBDYBKZKRLS-UHFFFAOYSA-N 1 0 484.645 3.141 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CSCCS2)cc(OC)c1OC ZINC001299859153 1065071616 /nfs/dbraw/zinc/07/16/16/1065071616.db2.gz XQGQTKJYCFQKMN-GOSISDBHSA-N 1 0 493.699 3.350 20 0 JGADRO COc1cc(-c2nnc(N3CCOCC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc(OC)c1OC ZINC001299859801 1065073736 /nfs/dbraw/zinc/07/37/36/1065073736.db2.gz JYGSBPMTEWCMGC-AVRWGWEMSA-N 1 0 473.618 3.318 20 0 JGADRO COc1cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC2([NH+](C)C)CCC2)cc(OC)c1OC ZINC001299859854 1065073795 /nfs/dbraw/zinc/07/37/95/1065073795.db2.gz KYBSRZXOEUSYGS-QGZVFWFLSA-N 1 0 473.618 3.459 20 0 JGADRO COc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc(OC)c1OC ZINC001299860007 1065074264 /nfs/dbraw/zinc/07/42/64/1065074264.db2.gz MDTATTRXAOOPKF-PKOBYXMFSA-N 1 0 461.607 3.172 20 0 JGADRO COc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc(OC)c1OC ZINC001299860004 1065074351 /nfs/dbraw/zinc/07/43/51/1065074351.db2.gz MDTATTRXAOOPKF-HKUYNNGSSA-N 1 0 461.607 3.172 20 0 JGADRO COc1cc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc(OC)c1OC ZINC001299861865 1065078722 /nfs/dbraw/zinc/07/87/22/1065078722.db2.gz OGBWBMMNZNHNFY-YJBOKZPZSA-N 1 0 461.632 3.253 20 0 JGADRO COc1cc(-c2nnc(N3CCSCC3)n2C[C@@H](C)C[NH+]2CCOCC2)ccc1OC(C)C ZINC001299862440 1065079014 /nfs/dbraw/zinc/07/90/14/1065079014.db2.gz XTQPOWYUDXBVGV-IBGZPJMESA-N 1 0 475.659 3.262 20 0 JGADRO COc1cc(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CC(C)C)CC2)ccc1Cl ZINC001299862844 1065080080 /nfs/dbraw/zinc/08/00/80/1065080080.db2.gz CNESCKHGSVPRRJ-UHFFFAOYSA-N 1 0 463.026 3.099 20 0 JGADRO COc1cc(CCn2c(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)ccc1C ZINC001299866991 1065084841 /nfs/dbraw/zinc/08/48/41/1065084841.db2.gz DMCPLWHFORJNPA-DEOSSOPVSA-N 1 0 498.716 3.367 20 0 JGADRO COc1cc(CN(C)c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc(OC)c1 ZINC001299869234 1065086497 /nfs/dbraw/zinc/08/64/97/1065086497.db2.gz BSWVBIPTNAABLD-QFIPXVFZSA-N 1 0 486.661 3.172 20 0 JGADRO COc1cc(CN(C)c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CC=CCC2)ccc1OC(F)F ZINC001299870684 1065088367 /nfs/dbraw/zinc/08/83/67/1065088367.db2.gz AXXIEYOZAVPCBS-UHFFFAOYSA-N 1 0 473.528 3.187 20 0 JGADRO COc1cc(CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc(OC)c1 ZINC001299871057 1065088895 /nfs/dbraw/zinc/08/88/95/1065088895.db2.gz GGORAGAXQBXDMW-JOCHJYFZSA-N 1 0 468.602 3.284 20 0 JGADRO COc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccco2)[NH+](C)C)ccc1SC ZINC001299873202 1065092671 /nfs/dbraw/zinc/09/26/71/1065092671.db2.gz YLFDRHIBLOZTIE-ROUUACIJSA-N 1 0 484.626 3.492 20 0 JGADRO COc1cc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1 ZINC001299873334 1065093645 /nfs/dbraw/zinc/09/36/45/1065093645.db2.gz NXSWBRVLGZXRRV-RZUBCFFCSA-N 1 0 487.645 3.325 20 0 JGADRO COc1cc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[NH+](C)C)c(SC)cc1OC ZINC001299873635 1065093968 /nfs/dbraw/zinc/09/39/68/1065093968.db2.gz QRPLYAJZVLFHJP-SJORKVTESA-N 1 0 463.648 3.498 20 0 JGADRO COc1cc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[NH+](C)C)c(SC)cc1OC ZINC001299873632 1065093988 /nfs/dbraw/zinc/09/39/88/1065093988.db2.gz QRPLYAJZVLFHJP-DLBZAZTESA-N 1 0 463.648 3.498 20 0 JGADRO COc1cc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CC[N@H+](C)C2)ccc1SC ZINC001299876699 1065095676 /nfs/dbraw/zinc/09/56/76/1065095676.db2.gz LIDHCLSOHQPMMP-HSZRJFAPSA-N 1 0 488.683 3.067 20 0 JGADRO COc1cc(Cn2c(C3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)ccc1OCCO ZINC001299884068 1065108125 /nfs/dbraw/zinc/10/81/25/1065108125.db2.gz YEYKTVOURFKKHD-UHFFFAOYSA-N 1 0 457.619 3.142 20 0 JGADRO COc1cc(CN2CCN(c3nnc(C)n3CCCC[NH+]3CCC(C)CC3)CC2)cc(OC)c1 ZINC001299893406 1065123398 /nfs/dbraw/zinc/12/33/98/1065123398.db2.gz UKGCGMVBJJJECJ-UHFFFAOYSA-N 1 0 470.662 3.438 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001299897831 1065131799 /nfs/dbraw/zinc/13/17/99/1065131799.db2.gz JIRRORIEKRWNSA-YLJYHZDGSA-N 1 0 475.037 3.394 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001299897827 1065131873 /nfs/dbraw/zinc/13/18/73/1065131873.db2.gz JIRRORIEKRWNSA-PXNSSMCTSA-N 1 0 475.037 3.394 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001299898118 1065132609 /nfs/dbraw/zinc/13/26/09/1065132609.db2.gz MCVMMHKHSWRSNK-KRWDZBQOSA-N 1 0 461.010 3.150 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001299900655 1065136078 /nfs/dbraw/zinc/13/60/78/1065136078.db2.gz DSCWHRRRQKHRKK-QZTJIDSGSA-N 1 0 475.037 3.287 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H]2[C@H]2CCCO2)n1CCOCC[NH+](C)C ZINC001299906588 1065147980 /nfs/dbraw/zinc/14/79/80/1065147980.db2.gz OHCMWIHITFRUEQ-VQTJNVASSA-N 1 0 464.010 3.333 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC[N@H+](C)C(C)C ZINC001299909060 1065155010 /nfs/dbraw/zinc/15/50/10/1065155010.db2.gz MCWKCUQIFUPLGZ-UHFFFAOYSA-N 1 0 488.999 3.203 20 0 JGADRO COc1cc(F)cc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001299919716 1065171537 /nfs/dbraw/zinc/17/15/37/1065171537.db2.gz WBWBDXJOURXGLL-UHFFFAOYSA-N 1 0 472.609 3.268 20 0 JGADRO COc1cc(N(C)c2nnc(Cc3cccnc3)n2CC[NH+]2CCCC2)cc(OC)c1OC ZINC001299922900 1065176656 /nfs/dbraw/zinc/17/66/56/1065176656.db2.gz RRZHRFHVXGLNRO-UHFFFAOYSA-N 1 0 452.559 3.153 20 0 JGADRO COc1cc(N(C)c2nnc([C@H]3CCCO3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC001299922681 1065176685 /nfs/dbraw/zinc/17/66/85/1065176685.db2.gz QUIYSZOUAMDGMQ-WSTZPKSXSA-N 1 0 489.617 3.423 20 0 JGADRO COc1cc(N2CCN(c3nnc(Cc4csc(C)n4)n3CC[N@H+](C)C(C)C)CC2)ccc1F ZINC001299923481 1065177900 /nfs/dbraw/zinc/17/79/00/1065177900.db2.gz XWZYWABCXJHPNK-UHFFFAOYSA-N 1 0 487.649 3.448 20 0 JGADRO COc1cc(OC)c(CCn2c(CC(C)C)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(OC)c1 ZINC001299925643 1065184677 /nfs/dbraw/zinc/18/46/77/1065184677.db2.gz UGFDECGISJVASU-OALUTQOASA-N 1 0 457.619 3.418 20 0 JGADRO COc1cc(N[C@@H]2CCCN(c3nnc(-c4ccc[nH]4)n3C[C@H](C)[NH+](C)C)C2)cc(OC)c1 ZINC001299925956 1065185907 /nfs/dbraw/zinc/18/59/07/1065185907.db2.gz MEWGCOBSCHDGQK-ZWKOTPCHSA-N 1 0 453.591 3.321 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+](C)C2CCCC2)c1 ZINC001299927943 1065189773 /nfs/dbraw/zinc/18/97/73/1065189773.db2.gz KALNBAGNGUODPC-UHFFFAOYSA-N 1 0 472.634 3.188 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CCOC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001299931849 1065196408 /nfs/dbraw/zinc/19/64/08/1065196408.db2.gz HJRJFJAXWINNFO-UHFFFAOYSA-N 1 0 488.677 3.240 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001299932068 1065197145 /nfs/dbraw/zinc/19/71/45/1065197145.db2.gz KFMFRUNUOWYCKD-ACRUOGEOSA-N 1 0 487.645 3.324 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001299933248 1065199329 /nfs/dbraw/zinc/19/93/29/1065199329.db2.gz AWRQYJXLIQDJPA-FDDCHVKYSA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001299934294 1065201446 /nfs/dbraw/zinc/20/14/46/1065201446.db2.gz RZIKNBWVWNDMOZ-RTBURBONSA-N 1 0 456.635 3.081 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)O[C@]4(CCCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299935859 1065202462 /nfs/dbraw/zinc/20/24/62/1065202462.db2.gz IAKCTFMBAPODAD-NIYFSFCBSA-N 1 0 487.645 3.324 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001299936652 1065203549 /nfs/dbraw/zinc/20/35/49/1065203549.db2.gz AQCRHARWYRSPJT-ATIYNZHBSA-N 1 0 484.645 3.175 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001299936655 1065203777 /nfs/dbraw/zinc/20/37/77/1065203777.db2.gz AQCRHARWYRSPJT-NVQXNPDNSA-N 1 0 484.645 3.175 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001299938028 1065206371 /nfs/dbraw/zinc/20/63/71/1065206371.db2.gz MRYMDFSJCNFKOF-UHFFFAOYSA-N 1 0 484.645 3.189 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001299939251 1065208647 /nfs/dbraw/zinc/20/86/47/1065208647.db2.gz PTPFFLPODOMPPA-HFJWLAOPSA-N 1 0 484.645 3.175 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](OC)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001299946017 1065219602 /nfs/dbraw/zinc/21/96/02/1065219602.db2.gz XHMSMESILVAWGM-SBHAEUEKSA-N 1 0 473.618 3.077 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001299949526 1065223642 /nfs/dbraw/zinc/22/36/42/1065223642.db2.gz FTMZOHVOMXQFDU-SFTDATJTSA-N 1 0 498.672 3.387 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001299949498 1065223873 /nfs/dbraw/zinc/22/38/73/1065223873.db2.gz DWPRCVGSVORJAO-UHFFFAOYSA-N 1 0 496.612 3.248 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001299950197 1065225343 /nfs/dbraw/zinc/22/53/43/1065225343.db2.gz KOAJJFDBWHBLTQ-UHFFFAOYSA-N 1 0 486.617 3.162 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2C[C@@H](OC)C(C)C)c1 ZINC001299950513 1065225931 /nfs/dbraw/zinc/22/59/31/1065225931.db2.gz BJHNVJKMKIHOTG-XMMPIXPASA-N 1 0 487.645 3.182 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001299950945 1065227090 /nfs/dbraw/zinc/22/70/90/1065227090.db2.gz FWZXTYWRGCOUQZ-WMZHIEFXSA-N 1 0 487.645 3.182 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001299951167 1065227847 /nfs/dbraw/zinc/22/78/47/1065227847.db2.gz QQJCRHXCPKDXOX-CTNGQTDRSA-N 1 0 487.645 3.203 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCCNC(C)=O)c1 ZINC001299951970 1065230451 /nfs/dbraw/zinc/23/04/51/1065230451.db2.gz LRLCJJGGTRGFTK-UHFFFAOYSA-N 1 0 484.645 3.191 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@](C)(O)c2ccsc2)c1 ZINC001299952293 1065230886 /nfs/dbraw/zinc/23/08/86/1065230886.db2.gz YKLCBDNVQAFOEQ-XMMPIXPASA-N 1 0 471.627 3.462 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)CCn3cccn3)n2CC[N@H+](C)C(C)C)c1 ZINC001299969757 1065256253 /nfs/dbraw/zinc/25/62/53/1065256253.db2.gz XUVLDIREJNSIET-UHFFFAOYSA-N 1 0 476.423 3.389 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001299973650 1065262388 /nfs/dbraw/zinc/26/23/88/1065262388.db2.gz LPFKIIZXTQXACL-AUUYWEPGSA-N 1 0 464.408 3.282 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2cnn(C)c2)c1 ZINC001299974106 1065262822 /nfs/dbraw/zinc/26/28/22/1065262822.db2.gz PMPWIFHABLRGCF-UHFFFAOYSA-N 1 0 488.434 3.276 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001299975223 1065268746 /nfs/dbraw/zinc/26/87/46/1065268746.db2.gz IMHRBORABIZBQL-YRNRMSPPSA-N 1 0 496.425 3.479 20 0 JGADRO COc1ccc(C)cc1CCn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001299987605 1065289639 /nfs/dbraw/zinc/28/96/39/1065289639.db2.gz DDEHLDIXACBVDJ-UHFFFAOYSA-N 1 0 456.635 3.287 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[NH+]2CCCCCC2)cc1 ZINC001299991768 1065297458 /nfs/dbraw/zinc/29/74/58/1065297458.db2.gz BMSHKYGSGXTAHO-RTBURBONSA-N 1 0 463.648 3.088 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC[NH+]2CCCCCC2)cc1 ZINC001299991767 1065297544 /nfs/dbraw/zinc/29/75/44/1065297544.db2.gz BMSHKYGSGXTAHO-RBUKOAKNSA-N 1 0 463.648 3.088 20 0 JGADRO COc1ccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2CCC[NH+]2CCCC2)cc1OC ZINC001299995267 1065302652 /nfs/dbraw/zinc/30/26/52/1065302652.db2.gz NWHZUCUCNOOGGX-UHFFFAOYSA-N 1 0 484.645 3.332 20 0 JGADRO COc1ccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2CC2([NH+](C)C)CCC2)c(OC)c1 ZINC001299995668 1065303068 /nfs/dbraw/zinc/30/30/68/1065303068.db2.gz SQPHNRBYAWMHPQ-UHFFFAOYSA-N 1 0 484.645 3.330 20 0 JGADRO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+](C)C2CCCC2)c(OC)c1 ZINC001299996101 1065304371 /nfs/dbraw/zinc/30/43/71/1065304371.db2.gz DVILGOPUGFHFJU-UHFFFAOYSA-N 1 0 472.634 3.188 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CC2([NH+](C)C)CCC2)cc1Br ZINC001299996155 1065304489 /nfs/dbraw/zinc/30/44/89/1065304489.db2.gz WRKYLAJMQAEDQI-MRXNPFEDSA-N 1 0 464.408 3.426 20 0 JGADRO Cc1ccc(Cn2c(CCCc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c(=O)n1C ZINC001492201496 1065315135 /nfs/dbraw/zinc/31/51/35/1065315135.db2.gz XOEGQLXQHNCRJZ-UHFFFAOYSA-N 1 0 462.642 3.429 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@H]4CCCO4)n3C[C@@H](C)[NH+](C)C)CC2)cc1F ZINC001492206017 1065320007 /nfs/dbraw/zinc/32/00/07/1065320007.db2.gz SDPCIZULHYIVNN-XMSQKQJNSA-N 1 0 472.609 3.060 20 0 JGADRO Cc1ccc(CSCCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCC3)CC2)cc1 ZINC001492205616 1065320047 /nfs/dbraw/zinc/32/00/47/1065320047.db2.gz LFCHAHJYRCHFHY-UHFFFAOYSA-N 1 0 456.660 3.333 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001492216217 1065326980 /nfs/dbraw/zinc/32/69/80/1065326980.db2.gz CDDVINXCBDLHHS-QFIPXVFZSA-N 1 0 452.578 3.195 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)c3ccc(C)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001492226746 1065329911 /nfs/dbraw/zinc/32/99/11/1065329911.db2.gz FZCAUFZNNPMYAV-UHFFFAOYSA-N 1 0 451.619 3.451 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC[N@@H+](C)C(C)C)CC2=O)cc1 ZINC001492229513 1065331639 /nfs/dbraw/zinc/33/16/39/1065331639.db2.gz DMWJQUCVPSLVRH-UHFFFAOYSA-N 1 0 468.005 3.495 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(-c4cnccn4)n3CC[NH+](C(C)C)C(C)C)CC2=O)cc1 ZINC001492229566 1065331740 /nfs/dbraw/zinc/33/17/40/1065331740.db2.gz FHINZHREWFCWHM-UHFFFAOYSA-N 1 0 462.602 3.016 20 0 JGADRO Cc1ccc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)CC2=O)cc1 ZINC001492229376 1065331816 /nfs/dbraw/zinc/33/18/16/1065331816.db2.gz BEHQYYSUSNUOGD-NRFANRHFSA-N 1 0 454.619 3.269 20 0 JGADRO Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CC[NH+](C(C)C)C(C)C)CC2=O)cc1 ZINC001492231845 1065332289 /nfs/dbraw/zinc/33/22/89/1065332289.db2.gz ZAWQBTSJWWJDHE-OAQYLSRUSA-N 1 0 454.619 3.062 20 0 JGADRO Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CC[NH+](C(C)C)C(C)C)CC2=O)cc1 ZINC001492231801 1065332393 /nfs/dbraw/zinc/33/23/93/1065332393.db2.gz ZAWQBTSJWWJDHE-NRFANRHFSA-N 1 0 454.619 3.062 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cscn3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492238484 1065332401 /nfs/dbraw/zinc/33/24/01/1065332401.db2.gz RBJDJFDDJHDEMF-OAQYLSRUSA-N 1 0 483.642 3.087 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001492238488 1065334252 /nfs/dbraw/zinc/33/42/52/1065334252.db2.gz RCOFNRKXHOFZNV-SFHVURJKSA-N 1 0 464.618 3.249 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001492240576 1065339287 /nfs/dbraw/zinc/33/92/87/1065339287.db2.gz PGVQDSURKPRTCE-DEOSSOPVSA-N 1 0 497.688 3.036 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3COC(C)(C)OC3)n2CC2([NH+](C)C)CCC2)cc1C ZINC001492240918 1065340035 /nfs/dbraw/zinc/34/00/35/1065340035.db2.gz SBPCDBMJDNDQFQ-UHFFFAOYSA-N 1 0 484.645 3.467 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCc3cnccn3)n2CC2([NH+](C)C)CCCC2)cc1C ZINC001492241070 1065340162 /nfs/dbraw/zinc/34/01/62/1065340162.db2.gz UPJJKDLYQHMLMK-UHFFFAOYSA-N 1 0 476.629 3.491 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)cc1C ZINC001492244970 1065343988 /nfs/dbraw/zinc/34/39/88/1065343988.db2.gz XUZASUCNRYPSGQ-NRFANRHFSA-N 1 0 483.661 3.323 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCCOCC(F)F)cc1C ZINC001492246193 1065345267 /nfs/dbraw/zinc/34/52/67/1065345267.db2.gz CKSLVGRKHGWVFB-AZUAARDMSA-N 1 0 476.572 3.492 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492250715 1065350516 /nfs/dbraw/zinc/35/05/16/1065350516.db2.gz QAFPJQKRZMSDAS-DWLFOUALSA-N 1 0 454.619 3.229 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCC[NH+]2CCCC2)cc1C ZINC001492265417 1065357634 /nfs/dbraw/zinc/35/76/34/1065357634.db2.gz HQXCBASTNIAEML-UHFFFAOYSA-N 1 0 495.672 3.328 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCNC(=O)C(C)C)cc1C ZINC001492265693 1065358301 /nfs/dbraw/zinc/35/83/01/1065358301.db2.gz CGQLBXNVSQUFAA-UHFFFAOYSA-N 1 0 497.688 3.478 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CC(F)(F)CO2)cc1C ZINC001492265993 1065360137 /nfs/dbraw/zinc/36/01/37/1065360137.db2.gz MENJGJOHOYJYJD-HXUWFJFHSA-N 1 0 476.572 3.492 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492268812 1065364345 /nfs/dbraw/zinc/36/43/45/1065364345.db2.gz YQZQHQAXTFGXRO-SFHVURJKSA-N 1 0 481.567 3.172 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCN2CCOC(C)(C)C2)cc1C ZINC001492269243 1065364782 /nfs/dbraw/zinc/36/47/82/1065364782.db2.gz WQPCQQKQXIPXQS-UHFFFAOYSA-N 1 0 497.688 3.179 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@H]3CO)C2)nc1 ZINC001492276266 1065370308 /nfs/dbraw/zinc/37/03/08/1065370308.db2.gz NWQSAUNRDIGLEM-YADHBBJMSA-N 1 0 497.688 3.371 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4cnccn4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)nc1 ZINC001492280776 1065373313 /nfs/dbraw/zinc/37/33/13/1065373313.db2.gz JWVISUXJDXIDDP-LEWJYISDSA-N 1 0 491.644 3.270 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4cnccn4)n3C[C@H](CC(C)C)[NH+](C)C)C2)nc1 ZINC001492280780 1065373848 /nfs/dbraw/zinc/37/38/48/1065373848.db2.gz JWVISUXJDXIDDP-SFTDATJTSA-N 1 0 491.644 3.270 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(-c4ccccc4)n3CCOCC[NH+](C)C)CC2)nc1 ZINC001492282523 1065375671 /nfs/dbraw/zinc/37/56/71/1065375671.db2.gz YGZVOSOZPHVICQ-UHFFFAOYSA-N 1 0 477.613 3.082 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@@H](C3CC3)[NH+](C)C)CC2)nc1 ZINC001492284531 1065377902 /nfs/dbraw/zinc/37/79/02/1065377902.db2.gz YVCDWGYFCISICL-NRFANRHFSA-N 1 0 453.635 3.375 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001492286320 1065378421 /nfs/dbraw/zinc/37/84/21/1065378421.db2.gz BQKJSPDEYCXYPX-RDPSFJRHSA-N 1 0 472.659 3.340 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492287063 1065379236 /nfs/dbraw/zinc/37/92/36/1065379236.db2.gz AGTYSCFRAYAKPV-NRFANRHFSA-N 1 0 461.614 3.379 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001492287425 1065380436 /nfs/dbraw/zinc/38/04/36/1065380436.db2.gz DZHLVTZOBHTUSR-FQEVSTJZSA-N 1 0 495.653 3.148 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001492287426 1065380526 /nfs/dbraw/zinc/38/05/26/1065380526.db2.gz DZHLVTZOBHTUSR-HXUWFJFHSA-N 1 0 495.653 3.148 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001492287595 1065381211 /nfs/dbraw/zinc/38/12/11/1065381211.db2.gz RUJXHILIXYRMKV-OAQYLSRUSA-N 1 0 461.614 3.379 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001492288526 1065383379 /nfs/dbraw/zinc/38/33/79/1065383379.db2.gz YPRCSZJXUBKWRJ-HXUWFJFHSA-N 1 0 476.610 3.483 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC2CC[NH+](C3CC3)CC2)cc1 ZINC001492310883 1065389934 /nfs/dbraw/zinc/38/99/34/1065389934.db2.gz ISQQOISRUIPAOE-WOJBJXKFSA-N 1 0 489.686 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC2CC[NH+](C3CC3)CC2)cc1 ZINC001492310881 1065390017 /nfs/dbraw/zinc/39/00/17/1065390017.db2.gz ISQQOISRUIPAOE-UXHICEINSA-N 1 0 489.686 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001492339527 1065407504 /nfs/dbraw/zinc/40/75/04/1065407504.db2.gz OOCJKBIXNVYJMB-FCHUYYIVSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001492340257 1065408363 /nfs/dbraw/zinc/40/83/63/1065408363.db2.gz RGCVJZKWSYPYGL-LEWJYISDSA-N 1 0 456.635 3.117 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001492391015 1065414876 /nfs/dbraw/zinc/41/48/76/1065414876.db2.gz JNLPAPZEPNACIN-HXUWFJFHSA-N 1 0 470.618 3.365 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001492353689 1065416328 /nfs/dbraw/zinc/41/63/28/1065416328.db2.gz IMHPFACGCQZDKL-UHFFFAOYSA-N 1 0 456.635 3.154 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001492363408 1065424996 /nfs/dbraw/zinc/42/49/96/1065424996.db2.gz JGNDKBJIPUDFSX-QFQXNSOFSA-N 1 0 468.646 3.309 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001492367359 1065427184 /nfs/dbraw/zinc/42/71/84/1065427184.db2.gz BSTKJGIZHMULQK-QFIPXVFZSA-N 1 0 476.419 3.029 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001492370828 1065433530 /nfs/dbraw/zinc/43/35/30/1065433530.db2.gz LZHXXOOWCHQVGE-XPNTWCBSSA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492370825 1065433549 /nfs/dbraw/zinc/43/35/49/1065433549.db2.gz LZHXXOOWCHQVGE-XJUOHMSHSA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372416 1065438011 /nfs/dbraw/zinc/43/80/11/1065438011.db2.gz ZQZHCDZIGSIXPT-FCHUYYIVSA-N 1 0 489.686 3.301 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCn2ccnn2)cc1 ZINC001492377896 1065442292 /nfs/dbraw/zinc/44/22/92/1065442292.db2.gz YERCMIQUXBVULL-UHFFFAOYSA-N 1 0 452.607 3.158 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001492383025 1065446280 /nfs/dbraw/zinc/44/62/80/1065446280.db2.gz INKAUYMOTLQFKV-YZIHRLCOSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001492340994 1065457221 /nfs/dbraw/zinc/45/72/21/1065457221.db2.gz XPJYQQQUNSXOLC-GHTZIAJQSA-N 1 0 497.562 3.168 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)OC4(CCOCC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492346146 1065461092 /nfs/dbraw/zinc/46/10/92/1065461092.db2.gz YUKHDXXMCJUTMT-RTWAWAEBSA-N 1 0 457.619 3.198 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001492345706 1065461115 /nfs/dbraw/zinc/46/11/15/1065461115.db2.gz FEYRUPQOKZAGBX-UHFFFAOYSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492346142 1065461174 /nfs/dbraw/zinc/46/11/74/1065461174.db2.gz YUKHDXXMCJUTMT-NHCUHLMSSA-N 1 0 457.619 3.198 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001492392590 1065464311 /nfs/dbraw/zinc/46/43/11/1065464311.db2.gz INLICTHEIRVYSY-OALUTQOASA-N 1 0 453.509 3.273 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001492392268 1065464374 /nfs/dbraw/zinc/46/43/74/1065464374.db2.gz INLICTHEIRVYSY-MOPGFXCFSA-N 1 0 453.509 3.273 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2(C(N)=O)CCOCC2)cc1 ZINC001492391991 1065464453 /nfs/dbraw/zinc/46/44/53/1065464453.db2.gz VTDOLKZSHCFVNB-UHFFFAOYSA-N 1 0 498.672 3.006 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001492393277 1065465280 /nfs/dbraw/zinc/46/52/80/1065465280.db2.gz LEHCPEJLAOKIEG-OAQYLSRUSA-N 1 0 497.562 3.354 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001492394503 1065466979 /nfs/dbraw/zinc/46/69/79/1065466979.db2.gz OLERRIBTCLKFJV-QPPBQGQZSA-N 1 0 459.660 3.464 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CCOCC[NH+](C)C)cc1 ZINC001492395441 1065467805 /nfs/dbraw/zinc/46/78/05/1065467805.db2.gz SOGWAEJALYYSSJ-RUZDIDTESA-N 1 0 459.635 3.385 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001492401065 1065469905 /nfs/dbraw/zinc/46/99/05/1065469905.db2.gz LFZUAHNUYWSOPU-VXKWHMMOSA-N 1 0 489.686 3.158 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001492407572 1065474278 /nfs/dbraw/zinc/47/42/78/1065474278.db2.gz HVBPGJJOZNHCAP-VSKRKVRLSA-N 1 0 457.619 3.280 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCCC2)cc1 ZINC001492418503 1065479526 /nfs/dbraw/zinc/47/95/26/1065479526.db2.gz ICXQPCUBSREZLA-UHFFFAOYSA-N 1 0 454.619 3.214 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001492419348 1065480430 /nfs/dbraw/zinc/48/04/30/1065480430.db2.gz WZQDGDDMUNPBDN-UHFFFAOYSA-N 1 0 454.619 3.212 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001492436102 1065490650 /nfs/dbraw/zinc/49/06/50/1065490650.db2.gz DHKOCUKIHOWWFT-XMSQKQJNSA-N 1 0 497.756 3.185 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492437162 1065492761 /nfs/dbraw/zinc/49/27/61/1065492761.db2.gz SLARFUOLIDXUPA-UHFFFAOYSA-N 1 0 482.720 3.136 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1C ZINC001492391515 1065498356 /nfs/dbraw/zinc/49/83/56/1065498356.db2.gz UFSPIRABIGXEPY-QFIPXVFZSA-N 1 0 468.646 3.168 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001492455905 1065505505 /nfs/dbraw/zinc/50/55/05/1065505505.db2.gz DWTSLLDWARCRAZ-ICSRJNTNSA-N 1 0 456.660 3.311 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001492461346 1065509796 /nfs/dbraw/zinc/50/97/96/1065509796.db2.gz CTKLMWZIYSXNCV-NHCUHLMSSA-N 1 0 477.700 3.232 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCCS(C)(=O)=O)cc1 ZINC001492462335 1065510899 /nfs/dbraw/zinc/51/08/99/1065510899.db2.gz OEPJFLFWSQWNPY-HXUWFJFHSA-N 1 0 477.700 3.378 20 0 JGADRO Cc1ccc(SCCn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001492469137 1065517921 /nfs/dbraw/zinc/51/79/21/1065517921.db2.gz AAZSDIHQESZWMY-UHFFFAOYSA-N 1 0 469.659 3.326 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001492470379 1065519904 /nfs/dbraw/zinc/51/99/04/1065519904.db2.gz MLSRODOOTHOBFL-JXQFQVJHSA-N 1 0 474.675 3.401 20 0 JGADRO CO[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)CC[C@H]1C ZINC001300826720 1065555508 /nfs/dbraw/zinc/55/55/08/1065555508.db2.gz WHJBYKIXMKAJQO-YMPZKCBVSA-N 1 0 484.693 3.290 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC[C@@H]1C ZINC001300841276 1065579730 /nfs/dbraw/zinc/57/97/30/1065579730.db2.gz IBLCOFBHVLWHAJ-ORYQWCPZSA-N 1 0 457.648 3.365 20 0 JGADRO CO[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1(C)C ZINC001300841227 1065579815 /nfs/dbraw/zinc/57/98/15/1065579815.db2.gz HLWQFMSWTAGGHC-PKTZIBPZSA-N 1 0 471.646 3.384 20 0 JGADRO CO[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC[C@H]1C ZINC001300843323 1065582002 /nfs/dbraw/zinc/58/20/02/1065582002.db2.gz PUYRJRAVODZXSK-QHAWAJNXSA-N 1 0 488.702 3.499 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1(C)C ZINC001300844102 1065584136 /nfs/dbraw/zinc/58/41/36/1065584136.db2.gz QWBMKRVFGGUZDV-CNNODRBYSA-N 1 0 457.667 3.369 20 0 JGADRO CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1(C)C ZINC001300845760 1065587909 /nfs/dbraw/zinc/58/79/09/1065587909.db2.gz WRIUFHNDVLQFOM-QUCCMNQESA-N 1 0 474.675 3.395 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC[C@H]1C ZINC001300846024 1065589179 /nfs/dbraw/zinc/58/91/79/1065589179.db2.gz ZLBSCXAHJZCSQT-NLSFWIRASA-N 1 0 469.609 3.443 20 0 JGADRO CO[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCC2)CC[C@@H]1C ZINC001300849067 1065591943 /nfs/dbraw/zinc/59/19/43/1065591943.db2.gz MJKRBVHHCIFKIM-UFYCRDLUSA-N 1 0 462.639 3.307 20 0 JGADRO CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300854725 1065601764 /nfs/dbraw/zinc/60/17/64/1065601764.db2.gz NCXWZRMPYHAVPS-NFBKMPQASA-N 1 0 484.645 3.166 20 0 JGADRO CO[C@H]1COCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300857270 1065609666 /nfs/dbraw/zinc/60/96/66/1065609666.db2.gz PCIORNSHLVWZOP-UGKGYDQZSA-N 1 0 478.037 3.197 20 0 JGADRO CO[C@H]1COCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300871419 1065643711 /nfs/dbraw/zinc/64/37/11/1065643711.db2.gz LSDXEZOZSLUVNL-VWNXMTODSA-N 1 0 471.646 3.446 20 0 JGADRO CO[C@@H]1COCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300871414 1065643804 /nfs/dbraw/zinc/64/38/04/1065643804.db2.gz LSDXEZOZSLUVNL-LADGPHEKSA-N 1 0 471.646 3.446 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001300903021 1065700275 /nfs/dbraw/zinc/70/02/75/1065700275.db2.gz ANVQSFVWJZDUJO-GOSISDBHSA-N 1 0 475.037 3.062 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@H+](C)C(C)C)CC1 ZINC001300904187 1065702639 /nfs/dbraw/zinc/70/26/39/1065702639.db2.gz ILSPGMBKLURKJD-GOSISDBHSA-N 1 0 488.702 3.203 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001300904907 1065704623 /nfs/dbraw/zinc/70/46/23/1065704623.db2.gz XFSPPNCGVGJKMG-NHCUHLMSSA-N 1 0 498.672 3.053 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001300908399 1065707070 /nfs/dbraw/zinc/70/70/70/1065707070.db2.gz YSRBSZUBCSWQFD-QFIPXVFZSA-N 1 0 460.667 3.178 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001300910819 1065708980 /nfs/dbraw/zinc/70/89/80/1065708980.db2.gz OVCOGGIXYKUBSG-JOCHJYFZSA-N 1 0 482.673 3.173 20 0 JGADRO COC[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001300953548 1065758017 /nfs/dbraw/zinc/75/80/17/1065758017.db2.gz QPMSNKLPACXTRZ-RTWAWAEBSA-N 1 0 469.634 3.300 20 0 JGADRO COC[C@H](C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300961010 1065769224 /nfs/dbraw/zinc/76/92/24/1065769224.db2.gz ATKZSOCZEUUONI-HXUWFJFHSA-N 1 0 452.603 3.323 20 0 JGADRO COC[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300969137 1065777725 /nfs/dbraw/zinc/77/77/25/1065777725.db2.gz RLEPZACNZFJKMD-SESVDKBCSA-N 1 0 456.635 3.257 20 0 JGADRO COC[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300969344 1065778575 /nfs/dbraw/zinc/77/85/75/1065778575.db2.gz UBICQOURXZBMCR-GOSISDBHSA-N 1 0 467.618 3.433 20 0 JGADRO COC[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001300984638 1065796283 /nfs/dbraw/zinc/79/62/83/1065796283.db2.gz GLGZSFMRODLQBS-HXUWFJFHSA-N 1 0 471.646 3.305 20 0 JGADRO COC[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001300992493 1065809178 /nfs/dbraw/zinc/80/91/78/1065809178.db2.gz OGCNBBBIMSELJC-AABGKKOBSA-N 1 0 462.639 3.307 20 0 JGADRO COC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)OC ZINC001300998300 1065817862 /nfs/dbraw/zinc/81/78/62/1065817862.db2.gz JKRKTOJDKYOWTC-AZUAARDMSA-N 1 0 465.545 3.273 20 0 JGADRO COC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001301000951 1065824922 /nfs/dbraw/zinc/82/49/22/1065824922.db2.gz XXQRBWTUYUOBPR-WOJBJXKFSA-N 1 0 478.435 3.434 20 0 JGADRO COC[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001301002727 1065829735 /nfs/dbraw/zinc/82/97/35/1065829735.db2.gz IGRBFAVOABIUAY-TZIWHRDSSA-N 1 0 476.666 3.207 20 0 JGADRO COC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)OC ZINC001301003647 1065832862 /nfs/dbraw/zinc/83/28/62/1065832862.db2.gz MUKWCXGJBPYDFD-MOPGFXCFSA-N 1 0 464.010 3.333 20 0 JGADRO COC[C@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001301008461 1065838679 /nfs/dbraw/zinc/83/86/79/1065838679.db2.gz RIVLBTBULDAXJR-SBHAEUEKSA-N 1 0 476.666 3.348 20 0 JGADRO COC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)OC ZINC001301015730 1065849640 /nfs/dbraw/zinc/84/96/40/1065849640.db2.gz XCGYXICQCABZIM-IBGZPJMESA-N 1 0 454.619 3.409 20 0 JGADRO COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC001301022698 1065857652 /nfs/dbraw/zinc/85/76/52/1065857652.db2.gz FIXACNPTXUAMNX-PMVMPFDFSA-N 1 0 456.635 3.016 20 0 JGADRO COC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC001301022702 1065857951 /nfs/dbraw/zinc/85/79/51/1065857951.db2.gz FIXACNPTXUAMNX-WWNPGLIZSA-N 1 0 456.635 3.016 20 0 JGADRO COC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001301031460 1065872087 /nfs/dbraw/zinc/87/20/87/1065872087.db2.gz XELDDIOVLWQRSG-QFIPXVFZSA-N 1 0 461.582 3.112 20 0 JGADRO COC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C2CCCCC2)CC1)OC ZINC001301032814 1065874027 /nfs/dbraw/zinc/87/40/27/1065874027.db2.gz HHENYCHZFSOWGW-BHDDXSALSA-N 1 0 463.667 3.313 20 0 JGADRO COC[C@@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001301036267 1065878246 /nfs/dbraw/zinc/87/82/46/1065878246.db2.gz CLQHAYSECOROME-PXNSSMCTSA-N 1 0 493.027 3.157 20 0 JGADRO COC[C@H](F)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001301036265 1065878326 /nfs/dbraw/zinc/87/83/26/1065878326.db2.gz CLQHAYSECOROME-FXAWDEMLSA-N 1 0 493.027 3.157 20 0 JGADRO COC[C@@H](F)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001301037503 1065878699 /nfs/dbraw/zinc/87/86/99/1065878699.db2.gz AUXCQDKAROSKNY-ZCNNSNEGSA-N 1 0 479.572 3.090 20 0 JGADRO COC[C@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001301042741 1065886265 /nfs/dbraw/zinc/88/62/65/1065886265.db2.gz DVJNVCHHUKSJCB-YLJYHZDGSA-N 1 0 496.425 3.241 20 0 JGADRO COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001301077305 1065926804 /nfs/dbraw/zinc/92/68/04/1065926804.db2.gz QKNBGTVNARFAPE-SLFFLAALSA-N 1 0 492.665 3.345 20 0 JGADRO COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001301077507 1065926825 /nfs/dbraw/zinc/92/68/25/1065926825.db2.gz QKNBGTVNARFAPE-XUVXKRRUSA-N 1 0 492.665 3.345 20 0 JGADRO COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001301077304 1065926972 /nfs/dbraw/zinc/92/69/72/1065926972.db2.gz QKNBGTVNARFAPE-HSALFYBXSA-N 1 0 492.665 3.345 20 0 JGADRO COC[C@H](F)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001301078446 1065928398 /nfs/dbraw/zinc/92/83/98/1065928398.db2.gz AKBAMSCHEPHZTA-BXXSPATCSA-N 1 0 489.636 3.037 20 0 JGADRO COCC1(C)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001301089107 1065938837 /nfs/dbraw/zinc/93/88/37/1065938837.db2.gz XDFDNAJPFCALHQ-VWLOTQADSA-N 1 0 463.667 3.446 20 0 JGADRO COCC1(C)CCN(c2nnc(Cc3ccccc3F)n2CCCC[NH+]2CCOCC2)CC1 ZINC001301098952 1065946219 /nfs/dbraw/zinc/94/62/19/1065946219.db2.gz PEKTZCCGZCBNQS-UHFFFAOYSA-N 1 0 459.610 3.373 20 0 JGADRO COCC1(C)CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001301099628 1065946707 /nfs/dbraw/zinc/94/67/07/1065946707.db2.gz CYIHCTSBMIUHFC-OAQYLSRUSA-N 1 0 472.609 3.095 20 0 JGADRO COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC1 ZINC001301124950 1065966565 /nfs/dbraw/zinc/96/65/65/1065966565.db2.gz KTQUGQDJPSMCOF-RTWAWAEBSA-N 1 0 460.667 3.324 20 0 JGADRO COCc1cc(Cn2c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)ccc1F ZINC001301157265 1065993692 /nfs/dbraw/zinc/99/36/92/1065993692.db2.gz QZQSMMHJFFLEDO-FQEVSTJZSA-N 1 0 459.610 3.458 20 0 JGADRO COCc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001301162314 1065997848 /nfs/dbraw/zinc/99/78/48/1065997848.db2.gz QTRBRJWVCRGWOV-IHPCNDPISA-N 1 0 458.607 3.286 20 0 JGADRO 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CC(C)(C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001302079050 1066493370 /nfs/dbraw/zinc/49/33/70/1066493370.db2.gz WFKUBSGNRHSTQM-RTBURBONSA-N 1 0 494.731 3.240 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302079957 1066495471 /nfs/dbraw/zinc/49/54/71/1066495471.db2.gz BEQSPXITEZIJKH-FQEVSTJZSA-N 1 0 489.640 3.127 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302079959 1066495575 /nfs/dbraw/zinc/49/55/75/1066495575.db2.gz BEQSPXITEZIJKH-HXUWFJFHSA-N 1 0 489.640 3.127 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cnn(Cc2ccccc2)c1 ZINC001302080968 1066498854 /nfs/dbraw/zinc/49/88/54/1066498854.db2.gz RBJCNEBGKUUYHR-NRFANRHFSA-N 1 0 481.645 3.216 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001301635487 1066499372 /nfs/dbraw/zinc/49/93/72/1066499372.db2.gz SPTCCEGDVPHVNL-LVXARBLLSA-N 1 0 490.693 3.030 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001302082351 1066502255 /nfs/dbraw/zinc/50/22/55/1066502255.db2.gz XMDZCIPNWKQSFD-MBSDFSHPSA-N 1 0 466.026 3.094 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301638739 1066502699 /nfs/dbraw/zinc/50/26/99/1066502699.db2.gz VVOORHLYNKEEJW-UPVQGACJSA-N 1 0 468.646 3.231 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301639695 1066503464 /nfs/dbraw/zinc/50/34/64/1066503464.db2.gz GFDVNLRDSQTSHK-NRFANRHFSA-N 1 0 467.662 3.223 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302083713 1066505844 /nfs/dbraw/zinc/50/58/44/1066505844.db2.gz IWBLXTGIYLTAPR-LEWJYISDSA-N 1 0 491.706 3.214 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302083716 1066506071 /nfs/dbraw/zinc/50/60/71/1066506071.db2.gz IWBLXTGIYLTAPR-SFTDATJTSA-N 1 0 491.706 3.214 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001301644209 1066508294 /nfs/dbraw/zinc/50/82/94/1066508294.db2.gz JPALBRGXFZKQDC-UHFFFAOYSA-N 1 0 461.010 3.053 20 0 JGADRO COCCCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001301647058 1066510355 /nfs/dbraw/zinc/51/03/55/1066510355.db2.gz MWNFMPLPKLBZKI-GBXCKJPGSA-N 1 0 469.609 3.297 20 0 JGADRO CC(C)(C)c1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001302086785 1066511355 /nfs/dbraw/zinc/51/13/55/1066511355.db2.gz GMLUXBSIDIOJSW-UHFFFAOYSA-N 1 0 489.064 3.038 20 0 JGADRO COCCCn1c(Cc2ccccc2C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001301647638 1066511681 /nfs/dbraw/zinc/51/16/81/1066511681.db2.gz STLBGIFQMCGLOA-DHIUTWEWSA-N 1 0 454.663 3.209 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CC(F)(F)CO1 ZINC001302088768 1066514912 /nfs/dbraw/zinc/51/49/12/1066514912.db2.gz HDHNIJRMBDQOKF-SFHLNBCPSA-N 1 0 479.572 3.137 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001301649681 1066515807 /nfs/dbraw/zinc/51/58/07/1066515807.db2.gz XDTSVLIHOGCZKO-AUSIDOKSSA-N 1 0 495.672 3.184 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cccc2c1OCO2 ZINC001302089526 1066516472 /nfs/dbraw/zinc/51/64/72/1066516472.db2.gz OQTHUEQEENQXAQ-LJQANCHMSA-N 1 0 473.618 3.337 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1Cc1ncnn1C(C)(C)C ZINC001302090120 1066517045 /nfs/dbraw/zinc/51/70/45/1066517045.db2.gz SZBHHQWCYAMZHF-OAQYLSRUSA-N 1 0 496.660 3.028 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCCOC1 ZINC001302090444 1066517664 /nfs/dbraw/zinc/51/76/64/1066517664.db2.gz VHAKELVAQPLGGT-XJUOHMSHSA-N 1 0 457.619 3.139 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001301651575 1066518271 /nfs/dbraw/zinc/51/82/71/1066518271.db2.gz INTHVNYSZMFSKM-JPYJTQIMSA-N 1 0 477.078 3.340 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001302090676 1066518376 /nfs/dbraw/zinc/51/83/76/1066518376.db2.gz WTPXEDIEVIDBMM-FQEVSTJZSA-N 1 0 488.681 3.099 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001302092341 1066520660 /nfs/dbraw/zinc/52/06/60/1066520660.db2.gz ILHJEIIDYMOYAL-RTBURBONSA-N 1 0 476.691 3.410 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001301653022 1066521635 /nfs/dbraw/zinc/52/16/35/1066521635.db2.gz NRZKLLDEXBDODM-FQEVSTJZSA-N 1 0 474.053 3.420 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302093554 1066521863 /nfs/dbraw/zinc/52/18/63/1066521863.db2.gz WLZFPGXEAXULNC-HKBOAZHASA-N 1 0 494.681 3.226 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302093912 1066522520 /nfs/dbraw/zinc/52/25/20/1066522520.db2.gz XZGWFWBDYRHXTG-WMZOPIPTSA-N 1 0 499.582 3.358 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001302095814 1066525687 /nfs/dbraw/zinc/52/56/87/1066525687.db2.gz XJHZKFLDGKXFLV-GLDPYIMESA-N 1 0 477.675 3.282 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1sccc1C ZINC001302096160 1066526521 /nfs/dbraw/zinc/52/65/21/1066526521.db2.gz XQRAIQDEVDJFDC-RTBURBONSA-N 1 0 463.648 3.110 20 0 JGADRO CC(C)(C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302096665 1066527607 /nfs/dbraw/zinc/52/76/07/1066527607.db2.gz MZNPYZKGNHPRDC-MRXNPFEDSA-N 1 0 469.556 3.048 20 0 JGADRO CC(C)(C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CC(=O)NC1CCCCC1 ZINC001302096944 1066528541 /nfs/dbraw/zinc/52/85/41/1066528541.db2.gz PTCZBPHBNUIVPT-UHFFFAOYSA-N 1 0 452.647 3.389 20 0 JGADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001302096951 1066528588 /nfs/dbraw/zinc/52/85/88/1066528588.db2.gz PXZRFQSCGDVTBS-GOSISDBHSA-N 1 0 482.551 3.119 20 0 JGADRO CC(C)(C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CCCN1CCCCC1=O ZINC001302096965 1066528603 /nfs/dbraw/zinc/52/86/03/1066528603.db2.gz QBYBFJLNQOBRHZ-UHFFFAOYSA-N 1 0 452.647 3.343 20 0 JGADRO CC(C)(C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001302097211 1066528970 /nfs/dbraw/zinc/52/89/70/1066528970.db2.gz SRLGBHBGVACZSE-LJQANCHMSA-N 1 0 472.600 3.008 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CCc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301659620 1066528969 /nfs/dbraw/zinc/52/89/69/1066528969.db2.gz FQHVTDJSFHWQSY-OTNCWRBYSA-N 1 0 466.674 3.488 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CCOc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301660246 1066529702 /nfs/dbraw/zinc/52/97/02/1066529702.db2.gz INHFJUAHXGMBQH-CQOQZXRMSA-N 1 0 482.673 3.325 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CCOc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301660252 1066530104 /nfs/dbraw/zinc/53/01/04/1066530104.db2.gz INHFJUAHXGMBQH-WPFOTENUSA-N 1 0 482.673 3.325 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001301660940 1066531430 /nfs/dbraw/zinc/53/14/30/1066531430.db2.gz LLXJXAZSUBWQHS-GMAHTHKFSA-N 1 0 468.646 3.119 20 0 JGADRO COCCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301661575 1066532907 /nfs/dbraw/zinc/53/29/07/1066532907.db2.gz SUSJSUDDGPMMPZ-YADHBBJMSA-N 1 0 482.673 3.435 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccsc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001301663364 1066536621 /nfs/dbraw/zinc/53/66/21/1066536621.db2.gz WBCOGEADJMRNAX-NHCUHLMSSA-N 1 0 458.676 3.355 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@H](c3nccs3)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302104533 1066538786 /nfs/dbraw/zinc/53/87/86/1066538786.db2.gz DAYNXAIPUUNJOD-WCIQWLHISA-N 1 0 478.663 3.157 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001301665214 1066539857 /nfs/dbraw/zinc/53/98/57/1066539857.db2.gz SSJMWLWKCLGVFM-SSGKUCQKSA-N 1 0 476.710 3.478 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302105816 1066540886 /nfs/dbraw/zinc/54/08/86/1066540886.db2.gz QNFRGPUOTKTRHF-GUDVDZBRSA-N 1 0 469.696 3.222 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302106062 1066540951 /nfs/dbraw/zinc/54/09/51/1066540951.db2.gz UYWFKHSOHCCAPL-XZOQPEGZSA-N 1 0 493.693 3.289 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001302107202 1066543072 /nfs/dbraw/zinc/54/30/72/1066543072.db2.gz LBCVPTVVWDUSIL-XJUOHMSHSA-N 1 0 457.619 3.373 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001302107201 1066543194 /nfs/dbraw/zinc/54/31/94/1066543194.db2.gz LBCVPTVVWDUSIL-QZNHQXDQSA-N 1 0 457.619 3.373 20 0 JGADRO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC001301667096 1066544687 /nfs/dbraw/zinc/54/46/87/1066544687.db2.gz BUTSWXUGCSJWEK-GCJKJVERSA-N 1 0 459.587 3.046 20 0 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CC(C)(C)OC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCCCC2)CC1 ZINC001302233173 1066751632 /nfs/dbraw/zinc/75/16/32/1066751632.db2.gz XAKNFNWGKNPKSI-UHFFFAOYSA-N 1 0 469.634 3.197 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)c2cccc(O)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302239075 1066759969 /nfs/dbraw/zinc/75/99/69/1066759969.db2.gz YESMUKNYAYYDOI-OFYLTFBOSA-N 1 0 475.659 3.342 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301807286 1066760387 /nfs/dbraw/zinc/76/03/87/1066760387.db2.gz HSKBYQGUXDAVGB-SCAKWATOSA-N 1 0 498.720 3.391 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301807451 1066760977 /nfs/dbraw/zinc/76/09/77/1066760977.db2.gz GOAUKXFWLOTQJE-GRTSPXDGSA-N 1 0 460.667 3.176 20 0 JGADRO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCCCO1 ZINC001302239722 1066761788 /nfs/dbraw/zinc/76/17/88/1066761788.db2.gz CHNLHIMYEOPHSN-UXHICEINSA-N 1 0 492.665 3.076 20 0 JGADRO 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CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001301823138 1066785043 /nfs/dbraw/zinc/78/50/43/1066785043.db2.gz AQAHJMVHEZJBPP-VWNXMTODSA-N 1 0 484.645 3.003 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001301823814 1066786251 /nfs/dbraw/zinc/78/62/51/1066786251.db2.gz HPGLCZXRVUKWJC-DHIUTWEWSA-N 1 0 460.667 3.035 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(F)c2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302251835 1066788385 /nfs/dbraw/zinc/78/83/85/1066788385.db2.gz ZHJUMNQVLWFNDL-WWNPGLIZSA-N 1 0 475.609 3.134 20 0 JGADRO COCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001301826463 1066790757 /nfs/dbraw/zinc/79/07/57/1066790757.db2.gz NUYZIOFCEHKWTJ-UHFFFAOYSA-N 1 0 477.053 3.248 20 0 JGADRO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001301826666 1066791255 /nfs/dbraw/zinc/79/12/55/1066791255.db2.gz FVBOXMLBNLIMDK-UGKGYDQZSA-N 1 0 456.610 3.235 20 0 JGADRO 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CC(=O)NCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301885866 1066895342 /nfs/dbraw/zinc/89/53/42/1066895342.db2.gz AQRYQJFMQLCFPB-NFBKMPQASA-N 1 0 460.667 3.179 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](OC)C2CC2)C[C@H]1C ZINC001301885875 1066895389 /nfs/dbraw/zinc/89/53/89/1066895389.db2.gz OCAOSIBKJFLVNQ-UZLBHIALSA-N 1 0 478.435 3.290 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1C ZINC001301886360 1066897299 /nfs/dbraw/zinc/89/72/99/1066897299.db2.gz WHQIJBUPRGLSIO-GCKMJXCFSA-N 1 0 498.491 3.477 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(c3ccccc3F)CC2)n1CCC[N@H+](C)C(C)C ZINC001302307583 1066898815 /nfs/dbraw/zinc/89/88/15/1066898815.db2.gz AFJUUVGVASSHEO-REWPJTCUSA-N 1 0 474.625 3.198 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001301887290 1066900466 /nfs/dbraw/zinc/90/04/66/1066900466.db2.gz ICIDJHWMLRLXMV-ZHRRBRCNSA-N 1 0 486.444 3.196 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCCCC2)C[C@H]1C ZINC001301888108 1066902583 /nfs/dbraw/zinc/90/25/83/1066902583.db2.gz MEUVVPNOMNKDMZ-GOSISDBHSA-N 1 0 478.037 3.459 20 0 JGADRO COCCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001301888237 1066903112 /nfs/dbraw/zinc/90/31/12/1066903112.db2.gz OXMXHVFCCHJDHS-UHFFFAOYSA-N 1 0 491.080 3.498 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001301888350 1066903735 /nfs/dbraw/zinc/90/37/35/1066903735.db2.gz MRBCKARSKGWCKS-QGZVFWFLSA-N 1 0 452.559 3.010 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001302310592 1066903917 /nfs/dbraw/zinc/90/39/17/1066903917.db2.gz CRRUCJLOYSNXSN-ACRUOGEOSA-N 1 0 494.681 3.036 20 0 JGADRO COCCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCC2)CC1=O ZINC001301888418 1066904401 /nfs/dbraw/zinc/90/44/01/1066904401.db2.gz OGMMCSMHHGNDAF-UHFFFAOYSA-N 1 0 468.646 3.022 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001301888552 1066905063 /nfs/dbraw/zinc/90/50/63/1066905063.db2.gz WOWIMZGLUJMJCQ-UHFFFAOYSA-N 1 0 459.038 3.359 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)OC)C[C@H]1C ZINC001301889010 1066905371 /nfs/dbraw/zinc/90/53/71/1066905371.db2.gz UNWDFWOOUHBNHX-HUUCEWRRSA-N 1 0 470.387 3.039 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001301889082 1066905395 /nfs/dbraw/zinc/90/53/95/1066905395.db2.gz SRCLYDOXYFHISE-QGZVFWFLSA-N 1 0 476.622 3.307 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@@H]2C)C[C@H]1C ZINC001301889020 1066905446 /nfs/dbraw/zinc/90/54/46/1066905446.db2.gz UUMNQTRXEKAQLY-OTWHNJEPSA-N 1 0 478.037 3.437 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@@H]2C)C[C@@H]1C ZINC001301889019 1066905494 /nfs/dbraw/zinc/90/54/94/1066905494.db2.gz UUMNQTRXEKAQLY-FHWLQOOXSA-N 1 0 478.037 3.437 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001301889084 1066905528 /nfs/dbraw/zinc/90/55/28/1066905528.db2.gz STLWKTOQTAULHG-HXUWFJFHSA-N 1 0 470.662 3.314 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](OC)C(C)(C)C ZINC001302311851 1066906095 /nfs/dbraw/zinc/90/60/95/1066906095.db2.gz MJRJWUOZUXGETO-MPJJRAAHSA-N 1 0 463.667 3.374 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H](OC)C(C)(C)C ZINC001302311852 1066906360 /nfs/dbraw/zinc/90/63/60/1066906360.db2.gz MJRJWUOZUXGETO-WAGURGNTSA-N 1 0 463.667 3.374 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(OC)cc2)C[C@@H]1C ZINC001301889210 1066906350 /nfs/dbraw/zinc/90/63/50/1066906350.db2.gz XJDYHSVPMWBXQQ-SFHVURJKSA-N 1 0 487.004 3.238 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCn1cc(Cl)cn1 ZINC001302311973 1066906666 /nfs/dbraw/zinc/90/66/66/1066906666.db2.gz RWXOXJCYKZLORE-ICSRJNTNSA-N 1 0 480.057 3.110 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001302312237 1066907036 /nfs/dbraw/zinc/90/70/36/1066907036.db2.gz XBBAJEYTQWLXSR-IWFBPKFRSA-N 1 0 463.648 3.228 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@H](OC)C(C)C ZINC001302312212 1066907162 /nfs/dbraw/zinc/90/71/62/1066907162.db2.gz RVDHAAHHCPQXNS-ZRBLBEILSA-N 1 0 463.667 3.375 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCSC(F)(F)F ZINC001302312596 1066908088 /nfs/dbraw/zinc/90/80/88/1066908088.db2.gz XXAFYCOFJSTDIY-HOTGVXAUSA-N 1 0 451.559 3.033 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001301889730 1066908361 /nfs/dbraw/zinc/90/83/61/1066908361.db2.gz CVPBDTPMYDVLMW-HXUWFJFHSA-N 1 0 470.637 3.483 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001301891220 1066911359 /nfs/dbraw/zinc/91/13/59/1066911359.db2.gz PGJNSUPVXVRITN-DHIUTWEWSA-N 1 0 474.694 3.281 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001301891557 1066912109 /nfs/dbraw/zinc/91/21/09/1066912109.db2.gz QAQQFIDENCTNIL-SFHVURJKSA-N 1 0 494.587 3.262 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSC(C)(C)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001302315818 1066913008 /nfs/dbraw/zinc/91/30/08/1066913008.db2.gz VGCVZDDHXOCHDC-AABGKKOBSA-N 1 0 451.681 3.454 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001301892660 1066913382 /nfs/dbraw/zinc/91/33/82/1066913382.db2.gz UTJCODVYVGGFJO-LJQANCHMSA-N 1 0 472.634 3.405 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2c(F)cccc2OC(F)F)C[C@H]1C ZINC001301895776 1066916354 /nfs/dbraw/zinc/91/63/54/1066916354.db2.gz IYETZGALMKAWLE-MRXNPFEDSA-N 1 0 476.503 3.286 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2c(F)cccc2OC(F)F)C[C@@H]1C ZINC001301895775 1066916762 /nfs/dbraw/zinc/91/67/62/1066916762.db2.gz IYETZGALMKAWLE-INIZCTEOSA-N 1 0 476.503 3.286 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC001301895928 1066917354 /nfs/dbraw/zinc/91/73/54/1066917354.db2.gz KHIGFHJKDYMZIU-SFHVURJKSA-N 1 0 458.994 3.173 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001301896076 1066917899 /nfs/dbraw/zinc/91/78/99/1066917899.db2.gz FADZFBHPEUAHNU-QZTJIDSGSA-N 1 0 484.542 3.125 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001301896077 1066918301 /nfs/dbraw/zinc/91/83/01/1066918301.db2.gz FADZFBHPEUAHNU-ROUUACIJSA-N 1 0 484.542 3.125 20 0 JGADRO COCCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001301896276 1066918947 /nfs/dbraw/zinc/91/89/47/1066918947.db2.gz HZLYOQOWDNFLBX-QHCPKHFHSA-N 1 0 458.626 3.363 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSC[C@H]2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001302320950 1066919099 /nfs/dbraw/zinc/91/90/99/1066919099.db2.gz LIEWGFAPXZPLLX-PMXSJFBMSA-N 1 0 451.681 3.454 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001301897187 1066920622 /nfs/dbraw/zinc/92/06/22/1066920622.db2.gz UAZKLTMXLJQMRN-HXUWFJFHSA-N 1 0 459.660 3.323 20 0 JGADRO COCCN1CCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001301897601 1066921415 /nfs/dbraw/zinc/92/14/15/1066921415.db2.gz YJPXNWOJPBJWSK-SZPZYZBQSA-N 1 0 482.673 3.307 20 0 JGADRO CC(=O)NC[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001301900048 1066924721 /nfs/dbraw/zinc/92/47/21/1066924721.db2.gz MMMPKAMBTLTCCY-CNNODRBYSA-N 1 0 460.667 3.034 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(COC)c2)C[C@H]1C ZINC001301899898 1066924733 /nfs/dbraw/zinc/92/47/33/1066924733.db2.gz HNDSCNLLPBWEIG-HXUWFJFHSA-N 1 0 450.587 3.000 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001301900428 1066925170 /nfs/dbraw/zinc/92/51/70/1066925170.db2.gz LGMXNRMMMFAKMI-OAHLLOKOSA-N 1 0 481.548 3.329 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C)ccc2OC)C[C@@H]1C ZINC001301901322 1066926633 /nfs/dbraw/zinc/92/66/33/1066926633.db2.gz QAMBGJJNHFFXSV-NRFANRHFSA-N 1 0 464.614 3.365 20 0 JGADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001301904887 1066930373 /nfs/dbraw/zinc/93/03/73/1066930373.db2.gz WWVWTCOCWIVYTH-XLIONFOSSA-N 1 0 489.045 3.304 20 0 JGADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCCCCO ZINC001302329877 1066930647 /nfs/dbraw/zinc/93/06/47/1066930647.db2.gz MXKIETHVWKYMHP-DNVJHFABSA-N 1 0 477.694 3.298 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C ZINC001301906399 1066931295 /nfs/dbraw/zinc/93/12/95/1066931295.db2.gz BTFPDWBMAKIQAW-OAHLLOKOSA-N 1 0 453.509 3.491 20 0 JGADRO CON(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302333303 1066932856 /nfs/dbraw/zinc/93/28/56/1066932856.db2.gz LACZUUPBWMFJEJ-AOMKIAJQSA-N 1 0 463.652 3.055 20 0 JGADRO COCCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC001301910111 1066934743 /nfs/dbraw/zinc/93/47/43/1066934743.db2.gz HMUVKSARSNUKIB-XMMPIXPASA-N 1 0 482.673 3.074 20 0 JGADRO COCCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC001301910107 1066934930 /nfs/dbraw/zinc/93/49/30/1066934930.db2.gz HMUVKSARSNUKIB-DEOSSOPVSA-N 1 0 482.673 3.074 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cscc2C(F)(F)F)C[C@@H]1C ZINC001301910187 1066934955 /nfs/dbraw/zinc/93/49/55/1066934955.db2.gz USSDPXMDWBOONK-GJZGRUSLSA-N 1 0 459.538 3.068 20 0 JGADRO COCCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301910886 1066935817 /nfs/dbraw/zinc/93/58/17/1066935817.db2.gz JSVMGQAOBUVOFD-IBVKSMDESA-N 1 0 490.643 3.426 20 0 JGADRO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302336814 1066936433 /nfs/dbraw/zinc/93/64/33/1066936433.db2.gz VAOYJUALGHGXAY-HXUWFJFHSA-N 1 0 499.660 3.192 20 0 JGADRO CC(C)(Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1)C(F)(F)F ZINC001302340567 1066938658 /nfs/dbraw/zinc/93/86/58/1066938658.db2.gz FQYOMLSLEATJMF-HNNXBMFYSA-N 1 0 487.489 3.462 20 0 JGADRO CC(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001301912300 1066938908 /nfs/dbraw/zinc/93/89/08/1066938908.db2.gz CWWSJZABPNERPC-RTBURBONSA-N 1 0 472.609 3.394 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ncccc2C)C[C@@H]1C ZINC001301912406 1066938934 /nfs/dbraw/zinc/93/89/34/1066938934.db2.gz QKXWRWHQNFWPNI-SFHVURJKSA-N 1 0 456.541 3.056 20 0 JGADRO COCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301913580 1066941123 /nfs/dbraw/zinc/94/11/23/1066941123.db2.gz VHMUCAVNWZPYCJ-LEWJYISDSA-N 1 0 475.081 3.411 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccn(Cc3ccccc3)n2)C[C@@H]1C ZINC001301913147 1066941159 /nfs/dbraw/zinc/94/11/59/1066941159.db2.gz UMTUVMHPFNTBMV-NRFANRHFSA-N 1 0 465.646 3.317 20 0 JGADRO CON(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001302345836 1066943520 /nfs/dbraw/zinc/94/35/20/1066943520.db2.gz ICYQODXLZFJQTN-LJQANCHMSA-N 1 0 478.638 3.035 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2cccc(C)c2)C[C@@H]1C ZINC001301914418 1066943910 /nfs/dbraw/zinc/94/39/10/1066943910.db2.gz POMQBMCNSHEMJC-FUDKSRODSA-N 1 0 457.619 3.453 20 0 JGADRO CON(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302348782 1066943838 /nfs/dbraw/zinc/94/38/38/1066943838.db2.gz SYPLIAQOBKZFTD-OTWHNJEPSA-N 1 0 480.654 3.341 20 0 JGADRO CON(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001302347510 1066943858 /nfs/dbraw/zinc/94/38/58/1066943858.db2.gz JXXLINGXGYBWCT-OALUTQOASA-N 1 0 456.639 3.206 20 0 JGADRO CON(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302348780 1066943896 /nfs/dbraw/zinc/94/38/96/1066943896.db2.gz SYPLIAQOBKZFTD-CEXWTWQISA-N 1 0 480.654 3.341 20 0 JGADRO COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301915024 1066944427 /nfs/dbraw/zinc/94/44/27/1066944427.db2.gz RSXGDCMVPRCAHF-VABKMULXSA-N 1 0 462.683 3.046 20 0 JGADRO CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001301916035 1066945805 /nfs/dbraw/zinc/94/58/05/1066945805.db2.gz HSBTYESCTCZYGM-FQEVSTJZSA-N 1 0 474.053 3.468 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC001301915650 1066945821 /nfs/dbraw/zinc/94/58/21/1066945821.db2.gz TVJOWKRMVIFQOE-MJGOQNOKSA-N 1 0 467.536 3.396 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)c2ccccc2Cl)C[C@H]1C ZINC001301916147 1066946400 /nfs/dbraw/zinc/94/64/00/1066946400.db2.gz VVCOKKBYXGGBIP-UTSGNWPNSA-N 1 0 478.037 3.238 20 0 JGADRO C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)CC1 ZINC001301918495 1066949960 /nfs/dbraw/zinc/94/99/60/1066949960.db2.gz CXRSQNHCUNNSJZ-SFHVURJKSA-N 1 0 452.393 3.493 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001301918871 1066950168 /nfs/dbraw/zinc/95/01/68/1066950168.db2.gz DTHCOCKOAYZCSP-SFHVURJKSA-N 1 0 484.670 3.350 20 0 JGADRO COCCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301919213 1066951003 /nfs/dbraw/zinc/95/10/03/1066951003.db2.gz GNNRIWLGDWJMPR-RLWLMLJZSA-N 1 0 472.653 3.287 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2CC2(COC)CCCCC2)C[C@H]1C ZINC001301919763 1066952057 /nfs/dbraw/zinc/95/20/57/1066952057.db2.gz UKSUKDALSIQPAL-OAQYLSRUSA-N 1 0 456.635 3.018 20 0 JGADRO CC(C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001302362549 1066952785 /nfs/dbraw/zinc/95/27/85/1066952785.db2.gz NRBKDKRLARZDMZ-UHFFFAOYSA-N 1 0 484.464 3.089 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001301920420 1066953405 /nfs/dbraw/zinc/95/34/05/1066953405.db2.gz XXNBFRGJIZGQNJ-SFHVURJKSA-N 1 0 489.546 3.077 20 0 JGADRO CC(C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001302363536 1066953684 /nfs/dbraw/zinc/95/36/84/1066953684.db2.gz GTFNNKGEVQJUKO-UHFFFAOYSA-N 1 0 496.425 3.166 20 0 JGADRO CO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001302363499 1066953768 /nfs/dbraw/zinc/95/37/68/1066953768.db2.gz GPCRIDSCCDQWQC-JAXLGGSGSA-N 1 0 489.686 3.332 20 0 JGADRO CO[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001302363922 1066954026 /nfs/dbraw/zinc/95/40/26/1066954026.db2.gz MLDCVLMOJJJLAK-FUHWJXTLSA-N 1 0 465.440 3.392 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001301920901 1066954169 /nfs/dbraw/zinc/95/41/69/1066954169.db2.gz DNQKQKDLLNAHCE-INIZCTEOSA-N 1 0 460.673 3.403 20 0 JGADRO COCCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301921182 1066954550 /nfs/dbraw/zinc/95/45/50/1066954550.db2.gz RCJPOKNALSPLAF-AMGIVPHBSA-N 1 0 468.690 3.456 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCSCC(F)(F)F)C[C@H]1C ZINC001301921209 1066954926 /nfs/dbraw/zinc/95/49/26/1066954926.db2.gz RHRZGDOYQXDRKG-MRXNPFEDSA-N 1 0 475.556 3.460 20 0 JGADRO CO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001302364794 1066954925 /nfs/dbraw/zinc/95/49/25/1066954925.db2.gz VEDASVACJCBNCL-GOSISDBHSA-N 1 0 459.392 3.393 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)c2cccs2)C[C@@H]1C ZINC001301921305 1066955164 /nfs/dbraw/zinc/95/51/64/1066955164.db2.gz SOEFRLCEUOJGHM-MHECFPHRSA-N 1 0 473.618 3.134 20 0 JGADRO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001302366764 1066956037 /nfs/dbraw/zinc/95/60/37/1066956037.db2.gz SAYMCTIMWMKQCN-VLCRHTCISA-N 1 0 461.582 3.139 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CCCc2cccc(C)n2)C[C@@H]1C ZINC001301922963 1066957172 /nfs/dbraw/zinc/95/71/72/1066957172.db2.gz NYFDWQVXYMCOMS-FQEVSTJZSA-N 1 0 454.644 3.424 20 0 JGADRO CC(C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001302369517 1066957673 /nfs/dbraw/zinc/95/76/73/1066957673.db2.gz PXHCBNKSZCFPJR-UHFFFAOYSA-N 1 0 477.600 3.247 20 0 JGADRO CC(C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001302371687 1066959806 /nfs/dbraw/zinc/95/98/06/1066959806.db2.gz SRSJFPDNKBHSOD-UHFFFAOYSA-N 1 0 459.591 3.193 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)c2nccs2)C[C@H]1C ZINC001301926898 1066960461 /nfs/dbraw/zinc/96/04/61/1066960461.db2.gz PDJQOECAFGPMTP-VQTJNVASSA-N 1 0 454.644 3.480 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCc2ccccn2)C[C@@H]1C ZINC001301927312 1066961305 /nfs/dbraw/zinc/96/13/05/1066961305.db2.gz BLRNGHBBUMASSR-QFIPXVFZSA-N 1 0 464.614 3.269 20 0 JGADRO CO[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)C1 ZINC001302376217 1066961354 /nfs/dbraw/zinc/96/13/54/1066961354.db2.gz OGDZICIHFGXWQR-VQTJNVASSA-N 1 0 462.639 3.104 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2sc(C)nc2C)C[C@@H]1C ZINC001301927387 1066962123 /nfs/dbraw/zinc/96/21/23/1066962123.db2.gz DTHFNCDYVGGCRK-SFHVURJKSA-N 1 0 470.643 3.444 20 0 JGADRO CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001302380346 1066964071 /nfs/dbraw/zinc/96/40/71/1066964071.db2.gz KMBITDZLEUTCPP-RTWAWAEBSA-N 1 0 464.010 3.092 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2[C@@H]2C[C@H]2CF)C[C@@H]1C ZINC001301927959 1066964569 /nfs/dbraw/zinc/96/45/69/1066964569.db2.gz QCVHZLWFZZIKLQ-TXPKVOOTSA-N 1 0 482.398 3.307 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001301929259 1066966765 /nfs/dbraw/zinc/96/67/65/1066966765.db2.gz FVYULCHWGOBACZ-NJDAHSKKSA-N 1 0 462.683 3.065 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001301929263 1066966947 /nfs/dbraw/zinc/96/69/47/1066966947.db2.gz FVYULCHWGOBACZ-PCCBWWKXSA-N 1 0 462.683 3.065 20 0 JGADRO CC(=O)NCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001301929908 1066967586 /nfs/dbraw/zinc/96/75/86/1066967586.db2.gz PJWJZDJLPWOUJA-HSZRJFAPSA-N 1 0 481.689 3.041 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(Cl)cc2)C[C@@H]1C ZINC001301930336 1066967650 /nfs/dbraw/zinc/96/76/50/1066967650.db2.gz LJTHQTFDZXQFHW-VCOUNFBDSA-N 1 0 478.037 3.055 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2OCC[C@H]2C)C[C@H]1C ZINC001301931131 1066968772 /nfs/dbraw/zinc/96/87/72/1066968772.db2.gz BLUMKQVHBSATLC-DBXWQHBBSA-N 1 0 464.010 3.092 20 0 JGADRO CC(C)=CCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001302388743 1066969593 /nfs/dbraw/zinc/96/95/93/1066969593.db2.gz GUNGGKZXBHFESQ-QHCPKHFHSA-N 1 0 466.630 3.265 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001301932064 1066970570 /nfs/dbraw/zinc/97/05/70/1066970570.db2.gz VOKIHFNJTFCKQW-UYAOXDASSA-N 1 0 488.702 3.063 20 0 JGADRO CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001302390514 1066970948 /nfs/dbraw/zinc/97/09/48/1066970948.db2.gz OBCUKMRUCQGMJL-YADHBBJMSA-N 1 0 470.662 3.286 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@H]1C ZINC001301932669 1066971144 /nfs/dbraw/zinc/97/11/44/1066971144.db2.gz ICECYAUSXDGZPH-JXALWOEJSA-N 1 0 475.609 3.214 20 0 JGADRO COCCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301933272 1066971966 /nfs/dbraw/zinc/97/19/66/1066971966.db2.gz MQVKYKGRCQAWEN-UEQSERJNSA-N 1 0 490.737 3.333 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001302393053 1066972162 /nfs/dbraw/zinc/97/21/62/1066972162.db2.gz CCICEMGFGHDYJF-HSZRJFAPSA-N 1 0 479.604 3.477 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001301933487 1066972418 /nfs/dbraw/zinc/97/24/18/1066972418.db2.gz NWZOPKDQPZTRSU-AABGKKOBSA-N 1 0 475.609 3.357 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001301933677 1066973243 /nfs/dbraw/zinc/97/32/43/1066973243.db2.gz QLLKSDVUPBBBRD-UAFMIMERSA-N 1 0 483.748 3.202 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(OC)cc2)C[C@H]1C ZINC001301933715 1066973941 /nfs/dbraw/zinc/97/39/41/1066973941.db2.gz RBBQWMVRIBROEO-UEVCKROQSA-N 1 0 471.646 3.411 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCSC2)C[C@H]1C ZINC001301934255 1066974329 /nfs/dbraw/zinc/97/43/29/1066974329.db2.gz WSVBJXYIGLDWAD-RTBURBONSA-N 1 0 477.700 3.489 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCSC2)C[C@@H]1C ZINC001301934253 1066974444 /nfs/dbraw/zinc/97/44/44/1066974444.db2.gz WSVBJXYIGLDWAD-OALUTQOASA-N 1 0 477.700 3.489 20 0 JGADRO CC(=O)NCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001301934797 1066975388 /nfs/dbraw/zinc/97/53/88/1066975388.db2.gz BOGFCYKHEPFBAA-QFIPXVFZSA-N 1 0 454.619 3.065 20 0 JGADRO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCCC2)C1 ZINC001301936340 1066978795 /nfs/dbraw/zinc/97/87/95/1066978795.db2.gz GMLBZXZMASBOOQ-UXHICEINSA-N 1 0 486.636 3.326 20 0 JGADRO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001301937394 1066980672 /nfs/dbraw/zinc/98/06/72/1066980672.db2.gz KWMDDVIXXFPIPC-VXKWHMMOSA-N 1 0 482.673 3.495 20 0 JGADRO CO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC001302402269 1066982199 /nfs/dbraw/zinc/98/21/99/1066982199.db2.gz KSQLORRXYXGPSP-IRLDBZIGSA-N 1 0 451.619 3.494 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C3CCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001301938366 1066982562 /nfs/dbraw/zinc/98/25/62/1066982562.db2.gz BPQCPMIWBFCPMX-JAXLGGSGSA-N 1 0 460.667 3.178 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+](C)C)C1 ZINC001301938497 1066982575 /nfs/dbraw/zinc/98/25/75/1066982575.db2.gz NFESLEKJSAEZQJ-IXDOHACOSA-N 1 0 481.016 3.055 20 0 JGADRO 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Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCSCC3)CC2)sc1C ZINC001304055000 1067095257 /nfs/dbraw/zinc/09/52/57/1067095257.db2.gz BNCOMHRQNXEWRR-UHFFFAOYSA-N 1 0 463.721 3.315 20 0 JGADRO Cc1nc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)sc1C ZINC001304056543 1067096432 /nfs/dbraw/zinc/09/64/32/1067096432.db2.gz UJIAUGTYMAVFDK-WOJBJXKFSA-N 1 0 461.680 3.158 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001302500669 1067098979 /nfs/dbraw/zinc/09/89/79/1067098979.db2.gz KOXXAIBMXGMBST-WXVAWEFUSA-N 1 0 484.689 3.054 20 0 JGADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[N@@H+](C)C(C)C ZINC001304057927 1067099718 /nfs/dbraw/zinc/09/97/18/1067099718.db2.gz APAWXBHAZBIERQ-GOSISDBHSA-N 1 0 467.643 3.384 20 0 JGADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[N@@H+](C)C(C)C ZINC001304057928 1067099743 /nfs/dbraw/zinc/09/97/43/1067099743.db2.gz APAWXBHAZBIERQ-SFHVURJKSA-N 1 0 467.643 3.384 20 0 JGADRO C[S@](=O)C1(Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001302507445 1067110520 /nfs/dbraw/zinc/11/05/20/1067110520.db2.gz AHWQBRVYUVWLQN-YTTGMZPUSA-N 1 0 461.651 3.477 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304073233 1067117341 /nfs/dbraw/zinc/11/73/41/1067117341.db2.gz DQFLCOLSTFSXNX-HDICACEKSA-N 1 0 459.664 3.283 20 0 JGADRO Cc1c(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)cnn1C ZINC001304076258 1067120486 /nfs/dbraw/zinc/12/04/86/1067120486.db2.gz KUDBHDOFKQNUBZ-MRXNPFEDSA-N 1 0 485.036 3.023 20 0 JGADRO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1C ZINC001304077644 1067122963 /nfs/dbraw/zinc/12/29/63/1067122963.db2.gz GWBPVGRPDVEZJE-YPCDYVTLSA-N 1 0 487.693 3.365 20 0 JGADRO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccsc2)[NH+](C)C)cnn1C ZINC001304080171 1067125713 /nfs/dbraw/zinc/12/57/13/1067125713.db2.gz RAQAFFBFUBLMSB-QPPBQGQZSA-N 1 0 487.674 3.361 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3ccccn3)n2Cc2ccccc2OCC[NH+](C)C)cnn1C ZINC001304083047 1067130212 /nfs/dbraw/zinc/13/02/12/1067130212.db2.gz BVXDVFSHTVTBDK-UHFFFAOYSA-N 1 0 460.586 3.007 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001302514723 1067131784 /nfs/dbraw/zinc/13/17/84/1067131784.db2.gz RXWAPSRLLQIFKJ-JOCHJYFZSA-N 1 0 474.675 3.305 20 0 JGADRO Cc1occc1CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)C[NH+](C)C ZINC001304087979 1067132126 /nfs/dbraw/zinc/13/21/26/1067132126.db2.gz INBPUNYONZLPPH-UHFFFAOYSA-N 1 0 463.586 3.318 20 0 JGADRO Cc1ncsc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304087736 1067132153 /nfs/dbraw/zinc/13/21/53/1067132153.db2.gz FSQWYMGZHFYPGB-JZXOWHBKSA-N 1 0 459.664 3.387 20 0 JGADRO Cc1c(CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)cnn1C ZINC001304089215 1067133392 /nfs/dbraw/zinc/13/33/92/1067133392.db2.gz SIABTXAMSJKCDF-HKUYNNGSSA-N 1 0 474.654 3.021 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCOc1ccc(F)cc1)[NH+]1CCOCC1 ZINC001302517664 1067136946 /nfs/dbraw/zinc/13/69/46/1067136946.db2.gz AJWGUPDRRWUZGX-QHCPKHFHSA-N 1 0 470.593 3.295 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302517695 1067137009 /nfs/dbraw/zinc/13/70/09/1067137009.db2.gz AVYGGOVIQHXAJE-OFNKIYASSA-N 1 0 498.594 3.170 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302517957 1067137399 /nfs/dbraw/zinc/13/73/99/1067137399.db2.gz CFRQFXSMHORYTL-BHIYHBOVSA-N 1 0 452.525 3.332 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cnn1C ZINC001304093806 1067137519 /nfs/dbraw/zinc/13/75/19/1067137519.db2.gz UDTVRTPNUJYMHJ-FQEVSTJZSA-N 1 0 487.599 3.182 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001302518769 1067138513 /nfs/dbraw/zinc/13/85/13/1067138513.db2.gz IKKCSACSPHCONO-OAQYLSRUSA-N 1 0 453.635 3.155 20 0 JGADRO CSC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001302518848 1067138574 /nfs/dbraw/zinc/13/85/74/1067138574.db2.gz PAANRPHACLIDHE-JOCHJYFZSA-N 1 0 472.703 3.318 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001302519240 1067138973 /nfs/dbraw/zinc/13/89/73/1067138973.db2.gz MYRBNDKLVAGXHD-NRFANRHFSA-N 1 0 475.037 3.047 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001302521457 1067141104 /nfs/dbraw/zinc/14/11/04/1067141104.db2.gz XZGGAGBLFICVTO-IFMALSPDSA-N 1 0 499.660 3.190 20 0 JGADRO Cc1c(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1CC(C)C ZINC001304099305 1067142144 /nfs/dbraw/zinc/14/21/44/1067142144.db2.gz XEIFUOXLXILLJU-DEOSSOPVSA-N 1 0 492.672 3.336 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302523054 1067143287 /nfs/dbraw/zinc/14/32/87/1067143287.db2.gz HJJLNTYZZQNAHH-ZSYWTGECSA-N 1 0 473.634 3.028 20 0 JGADRO CSC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001302523127 1067143348 /nfs/dbraw/zinc/14/33/48/1067143348.db2.gz XKXXNVCGJZGFSM-UHFFFAOYSA-N 1 0 457.692 3.477 20 0 JGADRO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001302525072 1067146544 /nfs/dbraw/zinc/14/65/44/1067146544.db2.gz ANEFTCFATCQADJ-QRVBRYPASA-N 1 0 494.706 3.401 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001302525678 1067148601 /nfs/dbraw/zinc/14/86/01/1067148601.db2.gz RVSKLECGOONACZ-AQNXPRMDSA-N 1 0 472.600 3.365 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302525680 1067148654 /nfs/dbraw/zinc/14/86/54/1067148654.db2.gz RVSKLECGOONACZ-ZCNNSNEGSA-N 1 0 472.600 3.365 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001302525677 1067148683 /nfs/dbraw/zinc/14/86/83/1067148683.db2.gz RVSKLECGOONACZ-AABGKKOBSA-N 1 0 472.600 3.365 20 0 JGADRO CSC(C)(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001302525792 1067149239 /nfs/dbraw/zinc/14/92/39/1067149239.db2.gz GFNWDBNHSCOSPK-RTBURBONSA-N 1 0 494.706 3.403 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)N1CCOCC1 ZINC001302526950 1067152355 /nfs/dbraw/zinc/15/23/55/1067152355.db2.gz WSPNIUXFGDWNIJ-XZOQPEGZSA-N 1 0 476.710 3.087 20 0 JGADRO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC[C@H]1C)[NH+]1CCCC1 ZINC001302528848 1067156427 /nfs/dbraw/zinc/15/64/27/1067156427.db2.gz MRBZMFJOLRZMEP-QZTJIDSGSA-N 1 0 462.689 3.332 20 0 JGADRO CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCCC1 ZINC001302529077 1067157832 /nfs/dbraw/zinc/15/78/32/1067157832.db2.gz RKUVRCZIXYPMGG-PZJWPPBQSA-N 1 0 472.609 3.208 20 0 JGADRO CC(C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001302529122 1067157925 /nfs/dbraw/zinc/15/79/25/1067157925.db2.gz RXZAZLBQOMFFAF-TZIWHRDSSA-N 1 0 496.077 3.254 20 0 JGADRO CSC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001302533259 1067162471 /nfs/dbraw/zinc/16/24/71/1067162471.db2.gz IARVKBSKOWTBBJ-OAQYLSRUSA-N 1 0 492.759 3.303 20 0 JGADRO CC(C)c1ccccc1OCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001302536662 1067168481 /nfs/dbraw/zinc/16/84/81/1067168481.db2.gz JYNGUEHUIWBJEM-HXUWFJFHSA-N 1 0 454.619 3.352 20 0 JGADRO CS[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001302540930 1067172545 /nfs/dbraw/zinc/17/25/45/1067172545.db2.gz LEEYTLUWHYKAEH-IBGZPJMESA-N 1 0 487.674 3.006 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304133838 1067172507 /nfs/dbraw/zinc/17/25/07/1067172507.db2.gz OAVIOFYTQYNADX-UHFFFAOYSA-N 1 0 455.651 3.119 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304135909 1067174174 /nfs/dbraw/zinc/17/41/74/1067174174.db2.gz KGSGJNWALONSRM-DENIHFKCSA-N 1 0 495.672 3.213 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCS(C)(=O)=O)n1C[C@H](C)[NH+](C)C ZINC001304138425 1067178737 /nfs/dbraw/zinc/17/87/37/1067178737.db2.gz FLOVIBLVOLJNGC-IRXDYDNUSA-N 1 0 472.055 3.119 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001304139891 1067180552 /nfs/dbraw/zinc/18/05/52/1067180552.db2.gz PIXOCCMJFZJHHH-QKNQBKEWSA-N 1 0 477.053 3.159 20 0 JGADRO CC(C)c1nc([C@H]2CN(c3nnc(COc4ccccc4F)n3C[C@H](C)[NH+](C)C)CCO2)no1 ZINC001302547868 1067184085 /nfs/dbraw/zinc/18/40/85/1067184085.db2.gz YMTOMWSZINVNKN-QFBILLFUSA-N 1 0 473.553 3.031 20 0 JGADRO CS[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001302548076 1067184103 /nfs/dbraw/zinc/18/41/03/1067184103.db2.gz MLFFWXIRVYGBAU-ZWKOTPCHSA-N 1 0 477.700 3.411 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001304142624 1067184646 /nfs/dbraw/zinc/18/46/46/1067184646.db2.gz WPBGSJMJVULDRN-YVWKXTFCSA-N 1 0 475.037 3.340 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001304142621 1067184697 /nfs/dbraw/zinc/18/46/97/1067184697.db2.gz WPBGSJMJVULDRN-IMFGXOCKSA-N 1 0 475.037 3.340 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCOCC[NH+](C)C ZINC001304143097 1067184769 /nfs/dbraw/zinc/18/47/69/1067184769.db2.gz AWMWGYQABSHDAG-PBEJRMEISA-N 1 0 480.053 3.474 20 0 JGADRO C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cc2)CC1 ZINC001302549319 1067185844 /nfs/dbraw/zinc/18/58/44/1067185844.db2.gz MZUQYDXZJNDTBV-UADZTWIMSA-N 1 0 456.631 3.342 20 0 JGADRO CC(C)c1ncc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCCC2)cn1 ZINC001302551448 1067187650 /nfs/dbraw/zinc/18/76/50/1067187650.db2.gz HOUOJLGGNBPFOT-UHFFFAOYSA-N 1 0 497.669 3.384 20 0 JGADRO Cc1cc(C(=O)N2CCN(c3nnc([C@@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)CC2)c(C)o1 ZINC001304145043 1067187624 /nfs/dbraw/zinc/18/76/24/1067187624.db2.gz XLCJUIPPXGNARG-NRFANRHFSA-N 1 0 472.634 3.280 20 0 JGADRO Cc1cc(C(=O)N2CCN(c3nnc(CC(C)C)n3C[C@]3([NH+](C)C)CCSC3)CC2)c(C)o1 ZINC001304145885 1067188846 /nfs/dbraw/zinc/18/88/46/1067188846.db2.gz JRBZWSZPQZULID-XMMPIXPASA-N 1 0 474.675 3.086 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(Cc4ccncc4)n3CC[N@@H+](C)C(C)C)CC2)c(C)o1 ZINC001304147412 1067193051 /nfs/dbraw/zinc/19/30/51/1067193051.db2.gz RPSFRAVSFGFYGJ-UHFFFAOYSA-N 1 0 479.629 3.213 20 0 JGADRO CC(C)c1nnc([C@H]2CN(c3nnc(CCCc4ccccc4)n3C[C@@H](C)[NH+](C)C)CCO2)o1 ZINC001302563203 1067203073 /nfs/dbraw/zinc/20/30/73/1067203073.db2.gz QRAPPBKUEUGYSO-TZIWHRDSSA-N 1 0 467.618 3.488 20 0 JGADRO CS[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302566528 1067205788 /nfs/dbraw/zinc/20/57/88/1067205788.db2.gz GJHVIWZTMLOHGL-HXUWFJFHSA-N 1 0 459.660 3.200 20 0 JGADRO CS[C@@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001302568003 1067207317 /nfs/dbraw/zinc/20/73/17/1067207317.db2.gz NZRFRFCSRRUTSY-AZUAARDMSA-N 1 0 498.619 3.162 20 0 JGADRO CS[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001302568007 1067207398 /nfs/dbraw/zinc/20/73/98/1067207398.db2.gz NZRFRFCSRRUTSY-QUCCMNQESA-N 1 0 498.619 3.162 20 0 JGADRO Cc1cc(C)c(Cn2c(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001304163454 1067210351 /nfs/dbraw/zinc/21/03/51/1067210351.db2.gz YVRSKBQWYJAIGO-JOCHJYFZSA-N 1 0 452.647 3.292 20 0 JGADRO CC(C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302573414 1067212633 /nfs/dbraw/zinc/21/26/33/1067212633.db2.gz VFOSMPVGCQTNCL-CEMLEFRQSA-N 1 0 459.660 3.326 20 0 JGADRO C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](Cc3cc(F)c(F)cc3F)NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC001302574627 1067213140 /nfs/dbraw/zinc/21/31/40/1067213140.db2.gz NNHPGGUKNFGZPK-KKVAFCGZSA-N 1 0 455.521 3.482 20 0 JGADRO CS[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)(C)C ZINC001302579992 1067217820 /nfs/dbraw/zinc/21/78/20/1067217820.db2.gz LDFYUOLLRBRYTM-SFTDATJTSA-N 1 0 465.708 3.498 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H](N4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304171560 1067219290 /nfs/dbraw/zinc/21/92/90/1067219290.db2.gz RVYHQCMKNJDJAA-UKILVPOCSA-N 1 0 484.689 3.361 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001304171580 1067219640 /nfs/dbraw/zinc/21/96/40/1067219640.db2.gz SAUKTWHQHZMJMX-FCHUYYIVSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001304172074 1067220148 /nfs/dbraw/zinc/22/01/48/1067220148.db2.gz VQXCWKMINUKSCF-QFIPXVFZSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001304174918 1067223443 /nfs/dbraw/zinc/22/34/43/1067223443.db2.gz PFMBCUCWEWMZKR-NRFANRHFSA-N 1 0 468.646 3.440 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC(N4CCNC4=O)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304175641 1067224713 /nfs/dbraw/zinc/22/47/13/1067224713.db2.gz WYDMIMWBMQRJQO-UHFFFAOYSA-N 1 0 483.661 3.198 20 0 JGADRO 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CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC(F)(F)F)CC2)CC[NH+](C)CC1 ZINC001302592538 1067230199 /nfs/dbraw/zinc/23/01/99/1067230199.db2.gz YCSYEYGXKJRDJZ-UHFFFAOYSA-N 1 0 476.613 3.413 20 0 JGADRO CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(OC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001302592757 1067230609 /nfs/dbraw/zinc/23/06/09/1067230609.db2.gz ZKXILPVMTUQKJQ-UHFFFAOYSA-N 1 0 466.696 3.028 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001304182120 1067231648 /nfs/dbraw/zinc/23/16/48/1067231648.db2.gz JGZBJZLFLPTWNX-GMAHTHKFSA-N 1 0 468.646 3.261 20 0 JGADRO Cc1nccn1CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001304182266 1067231654 /nfs/dbraw/zinc/23/16/54/1067231654.db2.gz MRNAOFNRZPENRZ-UHFFFAOYSA-N 1 0 451.619 3.457 20 0 JGADRO CC(C)c1nnc(N(C)CCCc2cc(-c3ccc(F)cc3)no2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001302593577 1067231738 /nfs/dbraw/zinc/23/17/38/1067231738.db2.gz QAWIJUMZQATYOS-DEOSSOPVSA-N 1 0 456.566 3.331 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001304182355 1067231929 /nfs/dbraw/zinc/23/19/29/1067231929.db2.gz MIUZOZZYVWAAMX-NHCUHLMSSA-N 1 0 470.618 3.091 20 0 JGADRO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302595225 1067232863 /nfs/dbraw/zinc/23/28/63/1067232863.db2.gz PNLZYHIEHRLKEN-FDFHNCONSA-N 1 0 454.663 3.394 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCN2CCOC2=O)c1 ZINC001304183156 1067233396 /nfs/dbraw/zinc/23/33/96/1067233396.db2.gz VZOSKIKPKQTTNL-UHFFFAOYSA-N 1 0 470.618 3.094 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001304183373 1067234395 /nfs/dbraw/zinc/23/43/95/1067234395.db2.gz JDUGUJWYXGIOPH-HXUWFJFHSA-N 1 0 489.686 3.221 20 0 JGADRO CSC1(Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](C(N)=O)C2)CC[NH+](C)CC1 ZINC001302605320 1067240545 /nfs/dbraw/zinc/24/05/45/1067240545.db2.gz XNGSCXZTCPBPOZ-INIZCTEOSA-N 1 0 463.051 3.128 20 0 JGADRO Cc1cc(C)nc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@]3([NH+](C)C)CCSC3)CC2)n1 ZINC001304191554 1067241714 /nfs/dbraw/zinc/24/17/14/1067241714.db2.gz QIRMFKPCHOAHID-XMMPIXPASA-N 1 0 472.707 3.037 20 0 JGADRO Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001304192251 1067243116 /nfs/dbraw/zinc/24/31/16/1067243116.db2.gz NZPYFMUGQRZKCB-QUCCMNQESA-N 1 0 484.670 3.403 20 0 JGADRO Cc1cc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(=O)NCC(F)(F)F)c2ccccc2n1 ZINC001304196479 1067245929 /nfs/dbraw/zinc/24/59/29/1067245929.db2.gz LDYVCXLRYKVTKF-UHFFFAOYSA-N 1 0 489.546 3.258 20 0 JGADRO Cc1cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(=O)NCC(F)(F)F)c2ccccc2n1 ZINC001304196579 1067246424 /nfs/dbraw/zinc/24/64/24/1067246424.db2.gz LQTCWERKNZCMJB-UHFFFAOYSA-N 1 0 475.519 3.011 20 0 JGADRO CSC1(Cn2c(C3CC3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CC[NH+](C)CC1 ZINC001302613524 1067247253 /nfs/dbraw/zinc/24/72/53/1067247253.db2.gz WXGPDKOAECXTCW-SFHVURJKSA-N 1 0 462.708 3.360 20 0 JGADRO 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CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302617068 1067250416 /nfs/dbraw/zinc/25/04/16/1067250416.db2.gz HWOSMYFBDASQQV-JOCHJYFZSA-N 1 0 481.645 3.057 20 0 JGADRO CSC1(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCNC(=O)C(C)C)CC[NH+](C)CC1 ZINC001302616622 1067250454 /nfs/dbraw/zinc/25/04/54/1067250454.db2.gz GUMOVWPJHRYKSG-UHFFFAOYSA-N 1 0 476.666 3.044 20 0 JGADRO Cc1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC001304203065 1067250559 /nfs/dbraw/zinc/25/05/59/1067250559.db2.gz WQWBSXWSHCZFIV-CALCHBBNSA-N 1 0 459.982 3.426 20 0 JGADRO CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001302617069 1067250860 /nfs/dbraw/zinc/25/08/60/1067250860.db2.gz HWOSMYFBDASQQV-QFIPXVFZSA-N 1 0 481.645 3.057 20 0 JGADRO CSC1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC[NH+](C)CC1 ZINC001302618523 1067251292 /nfs/dbraw/zinc/25/12/92/1067251292.db2.gz WEPSBCGTFZWNFK-KRWDZBQOSA-N 1 0 477.078 3.017 20 0 JGADRO 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Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc(O)cc4)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304322366 1067369951 /nfs/dbraw/zinc/36/99/51/1067369951.db2.gz SRGNKVRFOPLRLQ-UHFFFAOYSA-N 1 0 466.586 3.102 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304323623 1067371298 /nfs/dbraw/zinc/37/12/98/1067371298.db2.gz GAXSUQFNRSRUNU-HDICACEKSA-N 1 0 466.577 3.121 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CC(C)(C)C[NH+](C)C)cc1Br ZINC001304323716 1067371352 /nfs/dbraw/zinc/37/13/52/1067371352.db2.gz HSEZJVSGHIEUGN-GOSISDBHSA-N 1 0 489.462 3.415 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(c4cnccn4)CC3)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001304323980 1067371975 /nfs/dbraw/zinc/37/19/75/1067371975.db2.gz MUDDBVGCSOWTKL-UHFFFAOYSA-N 1 0 499.461 3.473 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@H+](C)C2CCCC2)cc1Br ZINC001304324897 1067373471 /nfs/dbraw/zinc/37/34/71/1067373471.db2.gz XDUNSVYGETUMKE-UHFFFAOYSA-N 1 0 475.435 3.169 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001304325289 1067374042 /nfs/dbraw/zinc/37/40/42/1067374042.db2.gz UIBVTLTZUJAWFV-OUVBFAFZSA-N 1 0 490.718 3.389 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)[NH+](C)C)CCS1 ZINC001302781956 1067376052 /nfs/dbraw/zinc/37/60/52/1067376052.db2.gz DTALVGXSFWBPOO-PKOBYXMFSA-N 1 0 462.689 3.343 20 0 JGADRO Cc1ccc(-c2nnc(N3CCOCC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC001304327587 1067376335 /nfs/dbraw/zinc/37/63/35/1067376335.db2.gz IFDHWHAEDSLXOW-SFHVURJKSA-N 1 0 478.435 3.354 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[NH+]2CCSCC2)cc1Br ZINC001304328118 1067376623 /nfs/dbraw/zinc/37/66/23/1067376623.db2.gz DWPIJCFWJLFHAD-APWZRJJASA-N 1 0 480.476 3.272 20 0 JGADRO Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CC[N@@H+](C)C2CCCCC2)cc1Br ZINC001304327640 1067376755 /nfs/dbraw/zinc/37/67/55/1067376755.db2.gz ZUXNSZAJXHICCK-UHFFFAOYSA-N 1 0 475.435 3.217 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCS1 ZINC001302783758 1067377055 /nfs/dbraw/zinc/37/70/55/1067377055.db2.gz QKRVRRVRLOSTAW-YADHBBJMSA-N 1 0 458.676 3.079 20 0 JGADRO Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001304329859 1067378068 /nfs/dbraw/zinc/37/80/68/1067378068.db2.gz RKFAEFRBIDUBDR-JOCHJYFZSA-N 1 0 468.646 3.302 20 0 JGADRO Cc1ccc([C@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)o1 ZINC001304330963 1067378506 /nfs/dbraw/zinc/37/85/06/1067378506.db2.gz JEHMUYSSOHEONH-WOJBJXKFSA-N 1 0 478.663 3.253 20 0 JGADRO Cc1ccc([C@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)o1 ZINC001304330962 1067378523 /nfs/dbraw/zinc/37/85/23/1067378523.db2.gz JEHMUYSSOHEONH-VQTJNVASSA-N 1 0 478.663 3.253 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001302787466 1067379430 /nfs/dbraw/zinc/37/94/30/1067379430.db2.gz HNRNUEUVJGGLEC-IRLDBZIGSA-N 1 0 478.037 3.219 20 0 JGADRO CSCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001302788756 1067379864 /nfs/dbraw/zinc/37/98/64/1067379864.db2.gz WHITUAGMMNLYFB-IBGZPJMESA-N 1 0 481.626 3.277 20 0 JGADRO CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302788394 1067380168 /nfs/dbraw/zinc/38/01/68/1067380168.db2.gz IGHAOAGUWYKJFZ-FCHUYYIVSA-N 1 0 459.660 3.262 20 0 JGADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001304333692 1067380166 /nfs/dbraw/zinc/38/01/66/1067380166.db2.gz WVZJFYFXPSOVCA-FPOVZHCZSA-N 1 0 474.675 3.413 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC001304338651 1067383980 /nfs/dbraw/zinc/38/39/80/1067383980.db2.gz QNUWKTMWBAUNJO-RDGATRHJSA-N 1 0 475.634 3.213 20 0 JGADRO CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001302798479 1067387467 /nfs/dbraw/zinc/38/74/67/1067387467.db2.gz YDLVFWWNEVAJCB-ARNLJNQMSA-N 1 0 490.737 3.159 20 0 JGADRO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001302799897 1067389061 /nfs/dbraw/zinc/38/90/61/1067389061.db2.gz WNXMMRJLGZUJEK-HOCLYGCPSA-N 1 0 453.454 3.472 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001302802971 1067391609 /nfs/dbraw/zinc/39/16/09/1067391609.db2.gz HWJKEIJTIYXWFU-QGZVFWFLSA-N 1 0 476.423 3.391 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001302803448 1067391880 /nfs/dbraw/zinc/39/18/80/1067391880.db2.gz LACSRILNFIUKDJ-JOCHJYFZSA-N 1 0 489.615 3.095 20 0 JGADRO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001304351734 1067392845 /nfs/dbraw/zinc/39/28/45/1067392845.db2.gz QBOFOWNFDLJWEI-UYAOXDASSA-N 1 0 488.683 3.017 20 0 JGADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304351400 1067392904 /nfs/dbraw/zinc/39/29/04/1067392904.db2.gz APQIJHZFVAGNIP-BVYCBKJFSA-N 1 0 469.632 3.199 20 0 JGADRO CC(C)CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001302804748 1067392922 /nfs/dbraw/zinc/39/29/22/1067392922.db2.gz DEJHVBQECVSTLY-UHFFFAOYSA-N 1 0 483.661 3.370 20 0 JGADRO CC(C)[C@H]1OCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001302805269 1067393139 /nfs/dbraw/zinc/39/31/39/1067393139.db2.gz HFQPGQPBKYVUDI-RCZVLFRGSA-N 1 0 474.694 3.408 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C(C)C)C1)[NH+](C)C ZINC001302805458 1067393158 /nfs/dbraw/zinc/39/31/58/1067393158.db2.gz YYOJFONJSNEVJV-OALUTQOASA-N 1 0 459.664 3.480 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)[NH+](C)C ZINC001302807663 1067395283 /nfs/dbraw/zinc/39/52/83/1067395283.db2.gz HSGSADYQAPCBJN-YPAWHYETSA-N 1 0 489.686 3.188 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001302807641 1067395388 /nfs/dbraw/zinc/39/53/88/1067395388.db2.gz HJYCBAYEVIDQFL-AQNXPRMDSA-N 1 0 463.026 3.354 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)[NH+](C)C ZINC001302807660 1067395417 /nfs/dbraw/zinc/39/54/17/1067395417.db2.gz HSGSADYQAPCBJN-BHDDXSALSA-N 1 0 489.686 3.188 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC2(CCOCC2)C1)[NH+](C)C ZINC001302807875 1067395699 /nfs/dbraw/zinc/39/56/99/1067395699.db2.gz JNHPACJKHWDLPY-LJQANCHMSA-N 1 0 463.026 3.356 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001302809118 1067397456 /nfs/dbraw/zinc/39/74/56/1067397456.db2.gz UNLHYFUXOJVRGE-SIKLNZKXSA-N 1 0 474.675 3.158 20 0 JGADRO CC(C)C[C@H](Cn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)[NH+](C)C ZINC001302809113 1067397481 /nfs/dbraw/zinc/39/74/81/1067397481.db2.gz UMFGHEIJWAPIOK-NHCUHLMSSA-N 1 0 468.712 3.209 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001302809119 1067397685 /nfs/dbraw/zinc/39/76/85/1067397685.db2.gz UNLHYFUXOJVRGE-UGKGYDQZSA-N 1 0 474.675 3.158 20 0 JGADRO Cc1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)c(=O)n1C ZINC001304358595 1067397782 /nfs/dbraw/zinc/39/77/82/1067397782.db2.gz VDJRZODKKMOTIA-UHFFFAOYSA-N 1 0 452.578 3.030 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001302810623 1067398615 /nfs/dbraw/zinc/39/86/15/1067398615.db2.gz AWYHLQOCKPTHIC-GOSISDBHSA-N 1 0 481.567 3.211 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001302811698 1067399199 /nfs/dbraw/zinc/39/91/99/1067399199.db2.gz LEMRSGRADXIVKO-RTWAWAEBSA-N 1 0 456.635 3.338 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001302811668 1067399211 /nfs/dbraw/zinc/39/92/11/1067399211.db2.gz KFVKWKAZFDFIKF-PZJWPPBQSA-N 1 0 472.682 3.034 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001302811667 1067399452 /nfs/dbraw/zinc/39/94/52/1067399452.db2.gz KFVKWKAZFDFIKF-FPOVZHCZSA-N 1 0 472.682 3.034 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1)[NH+](C)C ZINC001302812537 1067399642 /nfs/dbraw/zinc/39/96/42/1067399642.db2.gz QQPPNYSDBSXOSQ-NRFANRHFSA-N 1 0 452.582 3.177 20 0 JGADRO Cc1ccc(Cn2c(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)c(F)c1 ZINC001304363972 1067402477 /nfs/dbraw/zinc/40/24/77/1067402477.db2.gz MJMVJGMYFGSSBT-JOCHJYFZSA-N 1 0 472.653 3.303 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001302816297 1067403209 /nfs/dbraw/zinc/40/32/09/1067403209.db2.gz GKDCKRIRMPVQNY-IBGZPJMESA-N 1 0 458.014 3.403 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCCN(c2ncccc2F)CC1)[NH+](C)C ZINC001302816609 1067403718 /nfs/dbraw/zinc/40/37/18/1067403718.db2.gz AARZWZGSTOKHJZ-SFTDATJTSA-N 1 0 473.641 3.399 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2[C@@H]1C)[NH+](C)C ZINC001302817048 1067404138 /nfs/dbraw/zinc/40/41/38/1067404138.db2.gz CILINBNYTZCWSL-CEWLAPEOSA-N 1 0 459.660 3.280 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@@H]1CCCCO1)[NH+](C)C ZINC001302817307 1067404142 /nfs/dbraw/zinc/40/41/42/1067404142.db2.gz JOFYYLHVRDMBPX-UXHICEINSA-N 1 0 481.645 3.174 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)C1)[NH+](C)C ZINC001302817393 1067404640 /nfs/dbraw/zinc/40/46/40/1067404640.db2.gz KQSQMEUDSNKPLP-MSOLQXFVSA-N 1 0 479.720 3.156 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001302817485 1067404676 /nfs/dbraw/zinc/40/46/76/1067404676.db2.gz DZADUZBEMAVMCP-FYYLOGMGSA-N 1 0 458.626 3.220 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001302817422 1067404762 /nfs/dbraw/zinc/40/47/62/1067404762.db2.gz DDIJGHCTCKMCBE-NIRIFSCTSA-N 1 0 456.635 3.015 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)[NH+](C)C ZINC001302817854 1067405087 /nfs/dbraw/zinc/40/50/87/1067405087.db2.gz GRQUYRWLKDKXMH-PDOICOKGSA-N 1 0 492.517 3.177 20 0 JGADRO CSCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001302817638 1067405185 /nfs/dbraw/zinc/40/51/85/1067405185.db2.gz FYKWIXIHCQBAMF-KDURUIRLSA-N 1 0 477.748 3.382 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1)[NH+](C)C ZINC001302818105 1067405797 /nfs/dbraw/zinc/40/57/97/1067405797.db2.gz MWCNEKSFASUQQF-YPAWHYETSA-N 1 0 460.667 3.239 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001302818112 1067405808 /nfs/dbraw/zinc/40/58/08/1067405808.db2.gz HFBSUJLFSVFHME-AGILITTLSA-N 1 0 472.653 3.141 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC001302818118 1067405842 /nfs/dbraw/zinc/40/58/42/1067405842.db2.gz HFBSUJLFSVFHME-ZTCOLXNVSA-N 1 0 472.653 3.141 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302818030 1067405848 /nfs/dbraw/zinc/40/58/48/1067405848.db2.gz LSFYXXBPMBOCTR-QHAWAJNXSA-N 1 0 494.681 3.226 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001302819099 1067406633 /nfs/dbraw/zinc/40/66/33/1067406633.db2.gz OVFOEQHQIBCFQG-CRAIPNDOSA-N 1 0 493.534 3.338 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302819748 1067407067 /nfs/dbraw/zinc/40/70/67/1067407067.db2.gz QHRJNMNFUNJRPY-RBUKOAKNSA-N 1 0 472.638 3.205 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2ccccc2F)C1)[NH+](C)C ZINC001302819770 1067407083 /nfs/dbraw/zinc/40/70/83/1067407083.db2.gz NKOJJKRBBUIDFF-HFZDXXHNSA-N 1 0 466.605 3.477 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+](C)C ZINC001302819785 1067407353 /nfs/dbraw/zinc/40/73/53/1067407353.db2.gz NPXHPMDDSDGWOH-RTBURBONSA-N 1 0 488.599 3.043 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1)[NH+](C)C ZINC001302819776 1067407462 /nfs/dbraw/zinc/40/74/62/1067407462.db2.gz NKOJJKRBBUIDFF-RLWLMLJZSA-N 1 0 466.605 3.477 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001302820397 1067407826 /nfs/dbraw/zinc/40/78/26/1067407826.db2.gz PLZNNFTZFXVKRP-QHCPKHFHSA-N 1 0 450.635 3.353 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001302820911 1067408715 /nfs/dbraw/zinc/40/87/15/1067408715.db2.gz VHINEUGFJYURMP-YADHBBJMSA-N 1 0 460.667 3.477 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001302820910 1067408743 /nfs/dbraw/zinc/40/87/43/1067408743.db2.gz VHINEUGFJYURMP-VXKWHMMOSA-N 1 0 460.667 3.477 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCOCC1)[NH+](C)C ZINC001302820739 1067408756 /nfs/dbraw/zinc/40/87/56/1067408756.db2.gz GIZGIKUOEDZLFJ-GOSISDBHSA-N 1 0 466.424 3.433 20 0 JGADRO Cc1ccc(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001304369200 1067408818 /nfs/dbraw/zinc/40/88/18/1067408818.db2.gz WYZHNOJWOIRVTF-IBGZPJMESA-N 1 0 483.642 3.276 20 0 JGADRO Cc1ccc(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001304369201 1067408828 /nfs/dbraw/zinc/40/88/28/1067408828.db2.gz WYZHNOJWOIRVTF-LJQANCHMSA-N 1 0 483.642 3.276 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)[NH+](C)C ZINC001302821212 1067409185 /nfs/dbraw/zinc/40/91/85/1067409185.db2.gz UGKLVJKAPYEALK-OALUTQOASA-N 1 0 489.615 3.164 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+](C)C ZINC001302821279 1067409681 /nfs/dbraw/zinc/40/96/81/1067409681.db2.gz VEYBBUOLMFHYNK-OXQOHEQNSA-N 1 0 464.561 3.111 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+](C)C ZINC001302821277 1067409694 /nfs/dbraw/zinc/40/96/94/1067409694.db2.gz VEYBBUOLMFHYNK-JXFKEZNVSA-N 1 0 464.561 3.111 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1)[NH+](C)C ZINC001302821345 1067409735 /nfs/dbraw/zinc/40/97/35/1067409735.db2.gz WZAAANNIUYVVAE-FQEVSTJZSA-N 1 0 494.619 3.203 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+](C)C ZINC001302821470 1067410056 /nfs/dbraw/zinc/41/00/56/1067410056.db2.gz WPWVWABFSPABLD-FGZHOGPDSA-N 1 0 462.683 3.232 20 0 JGADRO CC(C)C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1)[NH+](C)C ZINC001302821513 1067410065 /nfs/dbraw/zinc/41/00/65/1067410065.db2.gz ILRKWDVUIWJGAG-FCHUYYIVSA-N 1 0 454.619 3.071 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2[nH]1)[NH+](C)C ZINC001302821606 1067410575 /nfs/dbraw/zinc/41/05/75/1067410575.db2.gz XLNAGNLDKGYFQB-TZIWHRDSSA-N 1 0 472.659 3.274 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302821685 1067410595 /nfs/dbraw/zinc/41/05/95/1067410595.db2.gz YIIZLBJJIHYWLI-XRXFAXGQSA-N 1 0 478.682 3.498 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCCC[NH+]3CCCC3)CC2)cc1 ZINC001304372771 1067410673 /nfs/dbraw/zinc/41/06/73/1067410673.db2.gz JUWVWNLIGNBBCC-UHFFFAOYSA-N 1 0 467.662 3.317 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1)[NH+](C)C ZINC001302822024 1067411012 /nfs/dbraw/zinc/41/10/12/1067411012.db2.gz ZVJUUYUAQPWVGH-GOTSBHOMSA-N 1 0 470.662 3.231 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)CC2=O)cc1 ZINC001304373628 1067411628 /nfs/dbraw/zinc/41/16/28/1067411628.db2.gz YAEDGXVLWNXRPW-JOCHJYFZSA-N 1 0 468.646 3.094 20 0 JGADRO CC(C)C[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302823786 1067412504 /nfs/dbraw/zinc/41/25/04/1067412504.db2.gz USFLAFDVXOGDAJ-YADHBBJMSA-N 1 0 486.686 3.271 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304373970 1067412560 /nfs/dbraw/zinc/41/25/60/1067412560.db2.gz GXONFMBOMHCYRT-NRFANRHFSA-N 1 0 466.586 3.223 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1)[NH+](C)C ZINC001302824368 1067413330 /nfs/dbraw/zinc/41/33/30/1067413330.db2.gz ZVILQVRGNAICKU-YPAWHYETSA-N 1 0 460.667 3.020 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001302824742 1067413810 /nfs/dbraw/zinc/41/38/10/1067413810.db2.gz RWVQLZGPBHJFNH-FCHUYYIVSA-N 1 0 454.619 3.068 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1C ZINC001304375065 1067414272 /nfs/dbraw/zinc/41/42/72/1067414272.db2.gz JALNEIRIBKQELC-NRFANRHFSA-N 1 0 497.688 3.177 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCOC3)n2CC[N@H+](C)C2CCCC2)cc1C ZINC001304375444 1067415221 /nfs/dbraw/zinc/41/52/21/1067415221.db2.gz MJODUWUCMCLWMB-HXUWFJFHSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCOC3)n2CC[N@H+](C)C2CCCC2)cc1C ZINC001304375441 1067415244 /nfs/dbraw/zinc/41/52/44/1067415244.db2.gz MJODUWUCMCLWMB-FQEVSTJZSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001304375785 1067416206 /nfs/dbraw/zinc/41/62/06/1067416206.db2.gz PUJJDXCIIFGUTR-PGRDOPGGSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CCC[NH+]2CCCCC2)cc1C ZINC001304376038 1067416689 /nfs/dbraw/zinc/41/66/89/1067416689.db2.gz ZZHUWZPXDILESA-UHFFFAOYSA-N 1 0 464.618 3.393 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001302827559 1067417674 /nfs/dbraw/zinc/41/76/74/1067417674.db2.gz BPINGNCEPHYSAZ-WIYYLYMNSA-N 1 0 474.675 3.338 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001302827557 1067417767 /nfs/dbraw/zinc/41/77/67/1067417767.db2.gz BPINGNCEPHYSAZ-NQIIRXRSSA-N 1 0 474.675 3.338 20 0 JGADRO CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@@H]3CCC[C@@H]3[NH+]3CCC(O)CC3)cc2)CC1 ZINC001302833713 1067421338 /nfs/dbraw/zinc/42/13/38/1067421338.db2.gz CCBDACCXIWBKPT-RPWUZVMVSA-N 1 0 456.631 3.136 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+](C)C2CCCCC2)C[C@@H]1O ZINC001302833759 1067421373 /nfs/dbraw/zinc/42/13/73/1067421373.db2.gz BVUCLHXUTAWOBJ-XXBNENTESA-N 1 0 489.686 3.210 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1O ZINC001302835257 1067422491 /nfs/dbraw/zinc/42/24/91/1067422491.db2.gz UZHPDUMFVJYDRS-AYOQOUSVSA-N 1 0 479.467 3.374 20 0 JGADRO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[NH+]1CCSCC1 ZINC001302839166 1067425777 /nfs/dbraw/zinc/42/57/77/1067425777.db2.gz ANZPGQVVZROAOT-FQEVSTJZSA-N 1 0 478.732 3.097 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304379847 1067425852 /nfs/dbraw/zinc/42/58/52/1067425852.db2.gz VENOLGBKOHFMMR-SFTDATJTSA-N 1 0 497.688 3.474 20 0 JGADRO CC(C)Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302839185 1067425882 /nfs/dbraw/zinc/42/58/82/1067425882.db2.gz AZFWDEBHOREQGZ-FGZHOGPDSA-N 1 0 478.726 3.159 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCCc4c3cnn4C)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304380134 1067426777 /nfs/dbraw/zinc/42/67/77/1067426777.db2.gz WPOGXEFUIBLYDS-GHTZIAJQSA-N 1 0 464.618 3.345 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001304380319 1067427366 /nfs/dbraw/zinc/42/73/66/1067427366.db2.gz YQANWXXMIKFSIW-SANMLTNESA-N 1 0 466.630 3.396 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2cc(F)cc(F)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302841675 1067428520 /nfs/dbraw/zinc/42/85/20/1067428520.db2.gz LNZJYSXGUZGGQF-NRFANRHFSA-N 1 0 462.589 3.334 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)cc1C ZINC001304381551 1067429380 /nfs/dbraw/zinc/42/93/80/1067429380.db2.gz AATCMIBAOTUWSU-HFZDXXHNSA-N 1 0 468.646 3.476 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)cc1C ZINC001304381553 1067429720 /nfs/dbraw/zinc/42/97/20/1067429720.db2.gz AATCMIBAOTUWSU-QFQXNSOFSA-N 1 0 468.646 3.476 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2([S@@](C)=O)CC2)cc1C ZINC001304382398 1067431095 /nfs/dbraw/zinc/43/10/95/1067431095.db2.gz CULMADRHROCYAH-UUWRZZSWSA-N 1 0 486.686 3.369 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCc2cnn(C)c2)cc1C ZINC001304383174 1067432449 /nfs/dbraw/zinc/43/24/49/1067432449.db2.gz IAWHHYBZAVBUKH-UHFFFAOYSA-N 1 0 464.618 3.044 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001304383265 1067432470 /nfs/dbraw/zinc/43/24/70/1067432470.db2.gz JYOOYYALWCHGPF-UGKGYDQZSA-N 1 0 495.672 3.326 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCO[C@@H](C)C2)cc1C ZINC001304383775 1067433379 /nfs/dbraw/zinc/43/33/79/1067433379.db2.gz LRWYESYAODHDBF-LEWJYISDSA-N 1 0 454.619 3.493 20 0 JGADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[NH+]2CCSCC2)CCN1C(=O)OC(C)(C)C ZINC001302848697 1067434121 /nfs/dbraw/zinc/43/41/21/1067434121.db2.gz YLHAYQGKNWQCLJ-QGZVFWFLSA-N 1 0 452.669 3.070 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[NH+]2CCC(C)CC2)cc1C ZINC001304384229 1067434319 /nfs/dbraw/zinc/43/43/19/1067434319.db2.gz PJNQVGHEJRHYEB-QFIPXVFZSA-N 1 0 495.672 3.361 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2cnn(-c3ccccc3)n2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302849933 1067434514 /nfs/dbraw/zinc/43/45/14/1067434514.db2.gz GEBVVPBDOIDZPX-NHCUHLMSSA-N 1 0 466.634 3.193 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302851145 1067435553 /nfs/dbraw/zinc/43/55/53/1067435553.db2.gz ZGAUKOQNOSUZQY-SFHVURJKSA-N 1 0 472.588 3.416 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCCNC(=O)C(C)C)cc1C ZINC001304384594 1067435805 /nfs/dbraw/zinc/43/58/05/1067435805.db2.gz UOWKSSPZSXJELT-QHCPKHFHSA-N 1 0 495.672 3.374 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001302851513 1067436078 /nfs/dbraw/zinc/43/60/78/1067436078.db2.gz KPINLXAFIOVWGL-LJQANCHMSA-N 1 0 470.622 3.057 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCN1C(=O)OC(C)(C)C ZINC001302851655 1067436186 /nfs/dbraw/zinc/43/61/86/1067436186.db2.gz QGMLSJFVXOBXFR-IRLDBZIGSA-N 1 0 499.660 3.023 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001302851272 1067436217 /nfs/dbraw/zinc/43/62/17/1067436217.db2.gz DPHNBYRELNAEHL-LJQANCHMSA-N 1 0 486.665 3.246 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001304384906 1067436610 /nfs/dbraw/zinc/43/66/10/1067436610.db2.gz VSAYJWCZZNZMDJ-LEWJYISDSA-N 1 0 481.645 3.113 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC2([NH+](C)C)CCCC2)CCN1C(=O)OC(C)(C)C ZINC001302858020 1067441087 /nfs/dbraw/zinc/44/10/87/1067441087.db2.gz ALDZTDLCBBLJSK-MOPGFXCFSA-N 1 0 462.639 3.102 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(Nc3ccn(C)n3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001304386555 1067441485 /nfs/dbraw/zinc/44/14/85/1067441485.db2.gz HWUUCJSUEFISHK-KDURUIRLSA-N 1 0 466.590 3.124 20 0 JGADRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC001302859119 1067441933 /nfs/dbraw/zinc/44/19/33/1067441933.db2.gz KCWPKXZZTAOTRA-UHFFFAOYSA-N 1 0 450.580 3.395 20 0 JGADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001302860472 1067442816 /nfs/dbraw/zinc/44/28/16/1067442816.db2.gz NUOLIHOWQVXNJT-LZQZEXGQSA-N 1 0 482.526 3.477 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001304387419 1067443227 /nfs/dbraw/zinc/44/32/27/1067443227.db2.gz AJDRGIHEBQDZGR-YADHBBJMSA-N 1 0 481.645 3.123 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)C2)nc1 ZINC001304387553 1067443475 /nfs/dbraw/zinc/44/34/75/1067443475.db2.gz RVWOWLLVBGKMCO-VXKWHMMOSA-N 1 0 483.661 3.461 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCCOCC(F)F ZINC001302866032 1067447256 /nfs/dbraw/zinc/44/72/56/1067447256.db2.gz GDTSRTTYQWVWLI-MRXNPFEDSA-N 1 0 484.979 3.355 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCC(=O)N2)n1CCSCC(F)(F)F ZINC001302866467 1067447781 /nfs/dbraw/zinc/44/77/81/1067447781.db2.gz NVYOEOORUOPDLO-SJLPKXTDSA-N 1 0 482.576 3.235 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CCCN1CCOC1=O ZINC001302866770 1067447908 /nfs/dbraw/zinc/44/79/08/1067447908.db2.gz QDJFAYCGJJERTP-HXUWFJFHSA-N 1 0 454.619 3.420 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccccc2F)n1CCN(C)CC(F)(F)F ZINC001302867383 1067448414 /nfs/dbraw/zinc/44/84/14/1067448414.db2.gz UMJAVWIAKLPELL-QGZVFWFLSA-N 1 0 484.542 3.268 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C2CCCC2)n1CC(=O)NCC(F)(F)F ZINC001302867344 1067448458 /nfs/dbraw/zinc/44/84/58/1067448458.db2.gz SXDWVXHCZYOBQX-QGZVFWFLSA-N 1 0 464.536 3.325 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)cc1C ZINC001304395033 1067456598 /nfs/dbraw/zinc/45/65/98/1067456598.db2.gz FMHOMVNHWHTKFN-OAQYLSRUSA-N 1 0 456.635 3.165 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001302875639 1067459233 /nfs/dbraw/zinc/45/92/33/1067459233.db2.gz KMVRCCCPVLYVED-KRWDZBQOSA-N 1 0 472.619 3.079 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001302876423 1067459643 /nfs/dbraw/zinc/45/96/43/1067459643.db2.gz PNODFQVTIVMITE-GOSISDBHSA-N 1 0 460.589 3.348 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302880633 1067461954 /nfs/dbraw/zinc/46/19/54/1067461954.db2.gz VTSCKDDDSKOGHY-MZEQIWSPSA-N 1 0 452.647 3.479 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001302880192 1067462041 /nfs/dbraw/zinc/46/20/41/1067462041.db2.gz PSJQPVNXUYAVCT-VWNXMTODSA-N 1 0 462.038 3.147 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302881311 1067463003 /nfs/dbraw/zinc/46/30/03/1067463003.db2.gz BQKQWQANEZHENF-UYXZNNOOSA-N 1 0 487.693 3.048 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001302881309 1067463038 /nfs/dbraw/zinc/46/30/38/1067463038.db2.gz BQKQWQANEZHENF-DGUDUIIESA-N 1 0 487.693 3.048 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304401588 1067464286 /nfs/dbraw/zinc/46/42/86/1067464286.db2.gz CQBBJPJUCNMPET-DEOSSOPVSA-N 1 0 471.646 3.326 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001304404875 1067467811 /nfs/dbraw/zinc/46/78/11/1067467811.db2.gz GPSCHNXDWACBRK-JOCHJYFZSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)Nc4nncs4)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304405085 1067468351 /nfs/dbraw/zinc/46/83/51/1067468351.db2.gz SJGFSLQUOJDLKO-GOSISDBHSA-N 1 0 498.657 3.131 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304405989 1067469533 /nfs/dbraw/zinc/46/95/33/1067469533.db2.gz FEPGMGJASNMTRZ-ICSRJNTNSA-N 1 0 497.562 3.432 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001304406600 1067470195 /nfs/dbraw/zinc/47/01/95/1067470195.db2.gz SURISGIXWKTTGW-FGZHOGPDSA-N 1 0 468.646 3.405 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001302892507 1067472852 /nfs/dbraw/zinc/47/28/52/1067472852.db2.gz IFJHXDGUQYVNOV-JOCHJYFZSA-N 1 0 490.693 3.425 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001304408734 1067473871 /nfs/dbraw/zinc/47/38/71/1067473871.db2.gz WPJPPDBTFFFKRF-FKBYEOEOSA-N 1 0 457.619 3.016 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302893178 1067473947 /nfs/dbraw/zinc/47/39/47/1067473947.db2.gz SNAQHUKVGLZGIZ-UHFFFAOYSA-N 1 0 481.567 3.077 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001304409243 1067474361 /nfs/dbraw/zinc/47/43/61/1067474361.db2.gz ZFAVAJOPUFOKKT-KNQAVFIVSA-N 1 0 468.646 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304410095 1067476273 /nfs/dbraw/zinc/47/62/73/1067476273.db2.gz IWSRPYFTNXNMRA-UHFFFAOYSA-N 1 0 496.578 3.401 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001304410470 1067476491 /nfs/dbraw/zinc/47/64/91/1067476491.db2.gz FQGHTYYKPINYNH-KJWPAHLWSA-N 1 0 489.686 3.299 20 0 JGADRO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302897344 1067478342 /nfs/dbraw/zinc/47/83/42/1067478342.db2.gz WTOXFUCXGGVICQ-OAQYLSRUSA-N 1 0 459.683 3.229 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001304411075 1067478585 /nfs/dbraw/zinc/47/85/85/1067478585.db2.gz PKRFFQHCLMNEHX-UHFFFAOYSA-N 1 0 498.672 3.209 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001304411326 1067479143 /nfs/dbraw/zinc/47/91/43/1067479143.db2.gz BXKNTMLNFCKUOW-RUZDIDTESA-N 1 0 454.619 3.063 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001304412079 1067480576 /nfs/dbraw/zinc/48/05/76/1067480576.db2.gz ITSRJNMIUQDEDH-NRFANRHFSA-N 1 0 470.662 3.494 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001304412626 1067481855 /nfs/dbraw/zinc/48/18/55/1067481855.db2.gz NEDIUWZPRDNNLK-TZIWHRDSSA-N 1 0 466.586 3.153 20 0 JGADRO CC(C)Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001302899648 1067482009 /nfs/dbraw/zinc/48/20/09/1067482009.db2.gz LRVBUPIOJZWZOJ-RUZDIDTESA-N 1 0 474.719 3.441 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[NH+]2CCC(C)CC2)cc1C ZINC001304413224 1067482304 /nfs/dbraw/zinc/48/23/04/1067482304.db2.gz QOKQXXICNMAKNK-JOCHJYFZSA-N 1 0 468.646 3.298 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CC=CCC2)C[C@H](C)O1 ZINC001302901520 1067485466 /nfs/dbraw/zinc/48/54/66/1067485466.db2.gz LAFIRUITIZZXPO-BGYRXZFFSA-N 1 0 459.038 3.406 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc[nH]2)n1CCCCNC(=O)OC(C)(C)C ZINC001302902388 1067487578 /nfs/dbraw/zinc/48/75/78/1067487578.db2.gz HCHOAZKVFAWVBI-IBGZPJMESA-N 1 0 487.649 3.268 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC2(O)CCOCC2)cc1C ZINC001304415976 1067487786 /nfs/dbraw/zinc/48/77/86/1067487786.db2.gz UOGNRCHFXLOSSR-UHFFFAOYSA-N 1 0 471.646 3.326 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(=O)NC(C)C)cc1C ZINC001304416707 1067489217 /nfs/dbraw/zinc/48/92/17/1067489217.db2.gz NTUHOEHHLLKQLK-UHFFFAOYSA-N 1 0 456.635 3.309 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H]3c3nncn3C)n2CC[N@@H+](C)C(C)C)cc1C ZINC001304417414 1067489599 /nfs/dbraw/zinc/48/95/99/1067489599.db2.gz VBZHYXRHLVYTLX-NRFANRHFSA-N 1 0 452.607 3.284 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304417894 1067490826 /nfs/dbraw/zinc/49/08/26/1067490826.db2.gz GLPGLKPVOYVTFK-SFHVURJKSA-N 1 0 494.562 3.155 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001302906102 1067491439 /nfs/dbraw/zinc/49/14/39/1067491439.db2.gz ZQNBBZFHZAMLJL-ZFGGDYGUSA-N 1 0 469.678 3.396 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCC(=O)NC(C)C)cc1C ZINC001304419065 1067493183 /nfs/dbraw/zinc/49/31/83/1067493183.db2.gz WAJJKXBEUPLFGC-UHFFFAOYSA-N 1 0 468.646 3.453 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001304419551 1067494472 /nfs/dbraw/zinc/49/44/72/1067494472.db2.gz YLTOAVVWHRBSBB-VXKWHMMOSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001304419627 1067494508 /nfs/dbraw/zinc/49/45/08/1067494508.db2.gz GCGYJYGRPKLQFF-OAQYLSRUSA-N 1 0 459.660 3.307 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001304419550 1067494572 /nfs/dbraw/zinc/49/45/72/1067494572.db2.gz YLTOAVVWHRBSBB-FGZHOGPDSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC001304419572 1067494583 /nfs/dbraw/zinc/49/45/83/1067494583.db2.gz ZEIYAAGZQWTXQN-UHFFFAOYSA-N 1 0 468.646 3.202 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)[C@H](C)C3)n2CC[NH+]2CCCC2)cc1 ZINC001304420905 1067496182 /nfs/dbraw/zinc/49/61/82/1067496182.db2.gz WGURNGYYROJBSP-LJQANCHMSA-N 1 0 466.552 3.334 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304420683 1067496201 /nfs/dbraw/zinc/49/62/01/1067496201.db2.gz OXLJWKWIZCVYDI-PCCBWWKXSA-N 1 0 457.619 3.278 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(CC(C)(C)C)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001302915694 1067499446 /nfs/dbraw/zinc/49/94/46/1067499446.db2.gz UEQLSMXSHLIPHZ-SIKLNZKXSA-N 1 0 455.647 3.485 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302915677 1067499543 /nfs/dbraw/zinc/49/95/43/1067499543.db2.gz XHZPWNRJRFYWDL-SFHVURJKSA-N 1 0 482.654 3.383 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302918943 1067500545 /nfs/dbraw/zinc/50/05/45/1067500545.db2.gz IEAKCAXWLWDEAJ-BHDDXSALSA-N 1 0 465.708 3.392 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCS(=O)(=O)CC1CC1 ZINC001302920809 1067502066 /nfs/dbraw/zinc/50/20/66/1067502066.db2.gz XVTLIFFSCJLHBU-QFIPXVFZSA-N 1 0 465.708 3.394 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302922202 1067502492 /nfs/dbraw/zinc/50/24/92/1067502492.db2.gz BDNGCXKVNPHILD-JTHBVZDNSA-N 1 0 488.702 3.001 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCn1cc(Br)cn1 ZINC001302922494 1067502508 /nfs/dbraw/zinc/50/25/08/1067502508.db2.gz GCHBGYNPISRKDV-SFHVURJKSA-N 1 0 450.429 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1C ZINC001304425884 1067503743 /nfs/dbraw/zinc/50/37/43/1067503743.db2.gz VLVQETWWMRXHFL-SIBVEZHUSA-N 1 0 468.646 3.311 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCCC[NH+]2CCCCC2)cc1 ZINC001304426139 1067504047 /nfs/dbraw/zinc/50/40/47/1067504047.db2.gz XFNVSHWLDLOBQX-UHFFFAOYSA-N 1 0 454.619 3.148 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302924055 1067504269 /nfs/dbraw/zinc/50/42/69/1067504269.db2.gz WKZCNYPWCHSMFK-NJYVYQBISA-N 1 0 478.682 3.469 20 0 JGADRO FC(F)(F)C1CCN(c2nnc(Cc3ccncc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001302929301 1067506327 /nfs/dbraw/zinc/50/63/27/1067506327.db2.gz WEHLUDUVCJDAMN-UHFFFAOYSA-N 1 0 452.525 3.155 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)(C)C)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001304429653 1067507327 /nfs/dbraw/zinc/50/73/27/1067507327.db2.gz OCCHEBBEYFLXKK-UHFFFAOYSA-N 1 0 490.718 3.322 20 0 JGADRO Cc1ccc(OCCn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC001304430066 1067507678 /nfs/dbraw/zinc/50/76/78/1067507678.db2.gz UDIVWZCIWKSFFC-XMMPIXPASA-N 1 0 470.662 3.020 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302933982 1067508954 /nfs/dbraw/zinc/50/89/54/1067508954.db2.gz SMCGNRAZNDVBBA-HSZRJFAPSA-N 1 0 476.716 3.328 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CC=CCC2)cc1 ZINC001304431088 1067509335 /nfs/dbraw/zinc/50/93/35/1067509335.db2.gz AERFAFAMTJQQND-UHFFFAOYSA-N 1 0 456.660 3.492 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCOc1ccc(Cl)cn1 ZINC001302937695 1067511010 /nfs/dbraw/zinc/51/10/10/1067511010.db2.gz BLXJBVWPLKZXBA-IBGZPJMESA-N 1 0 463.026 3.153 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@H]3CCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304432587 1067511120 /nfs/dbraw/zinc/51/11/20/1067511120.db2.gz ZFWWLBFKKRRKAB-LEWJYISDSA-N 1 0 459.660 3.461 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CCOCC[NH+](C)C)cc1 ZINC001304433208 1067512232 /nfs/dbraw/zinc/51/22/32/1067512232.db2.gz NFRNDMMQCSFTSX-OAQYLSRUSA-N 1 0 489.686 3.231 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC(C(N)=O)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001304433573 1067512585 /nfs/dbraw/zinc/51/25/85/1067512585.db2.gz OUSCZSICRBELKI-PMACEKPBSA-N 1 0 486.686 3.080 20 0 JGADRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCCOc1ccccc1 ZINC001302939377 1067513059 /nfs/dbraw/zinc/51/30/59/1067513059.db2.gz XWCDHULLQSUZIU-UHFFFAOYSA-N 1 0 451.619 3.392 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001304434542 1067513922 /nfs/dbraw/zinc/51/39/22/1067513922.db2.gz WNAOOEDVKHJVAJ-HBMCJLEFSA-N 1 0 459.660 3.339 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001302939945 1067513917 /nfs/dbraw/zinc/51/39/17/1067513917.db2.gz QQYYNNFTRAWVHL-FQEVSTJZSA-N 1 0 456.610 3.310 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001302940142 1067514194 /nfs/dbraw/zinc/51/41/94/1067514194.db2.gz TXGXCXKHQWKCNW-OAQYLSRUSA-N 1 0 459.038 3.433 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001304436579 1067514861 /nfs/dbraw/zinc/51/48/61/1067514861.db2.gz FPLOECVRFNIIHA-PMACEKPBSA-N 1 0 456.660 3.278 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001304436728 1067515357 /nfs/dbraw/zinc/51/53/57/1067515357.db2.gz AFALMZIQFCOFQS-UXHICEINSA-N 1 0 456.660 3.312 20 0 JGADRO FC(F)(F)OCCCn1c(-c2ccccc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302941805 1067515425 /nfs/dbraw/zinc/51/54/25/1067515425.db2.gz SJXZIRKGTQNXPG-UHFFFAOYSA-N 1 0 453.509 3.420 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nccs2)CC1 ZINC001302941758 1067515453 /nfs/dbraw/zinc/51/54/53/1067515453.db2.gz QJZYFPUMMORFKP-MRXNPFEDSA-N 1 0 474.553 3.116 20 0 JGADRO FC(F)(F)CSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302941966 1067515494 /nfs/dbraw/zinc/51/54/94/1067515494.db2.gz UOLGVKYBFKGOIO-MSOLQXFVSA-N 1 0 477.597 3.364 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCS2)CC1 ZINC001302941614 1067515525 /nfs/dbraw/zinc/51/55/25/1067515525.db2.gz PBRIENMXYAGXBA-IBGZPJMESA-N 1 0 484.592 3.251 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001302943069 1067516282 /nfs/dbraw/zinc/51/62/82/1067516282.db2.gz CUTVKMSEKYGYNT-JOCHJYFZSA-N 1 0 459.683 3.325 20 0 JGADRO FC(F)(F)OCCCn1c([C@H]2CCCOC2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001302943808 1067516819 /nfs/dbraw/zinc/51/68/19/1067516819.db2.gz RWVOHZMTPHTWFS-SFHVURJKSA-N 1 0 475.556 3.180 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001304438169 1067517856 /nfs/dbraw/zinc/51/78/56/1067517856.db2.gz VYEMMIXKBHSXOB-QUCCMNQESA-N 1 0 468.627 3.442 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001304438170 1067517875 /nfs/dbraw/zinc/51/78/75/1067517875.db2.gz VYEMMIXKBHSXOB-UYAOXDASSA-N 1 0 468.627 3.442 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302945729 1067518761 /nfs/dbraw/zinc/51/87/61/1067518761.db2.gz JBRIBCPHXNEGOJ-SFTDATJTSA-N 1 0 478.682 3.159 20 0 JGADRO FC(F)C(F)(F)CN1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCCCC2)CC1 ZINC001302945971 1067519065 /nfs/dbraw/zinc/51/90/65/1067519065.db2.gz XVUDRCXHOKIDFN-QGZVFWFLSA-N 1 0 462.536 3.028 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001304438860 1067519119 /nfs/dbraw/zinc/51/91/19/1067519119.db2.gz POSQQYCVQKMBNL-UHFFFAOYSA-N 1 0 479.654 3.342 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304438921 1067519490 /nfs/dbraw/zinc/51/94/90/1067519490.db2.gz RBELUJGRTYQDFX-XPNTWCBSSA-N 1 0 473.687 3.443 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302950545 1067524184 /nfs/dbraw/zinc/52/41/84/1067524184.db2.gz YPUYGZDJASVKOD-UHFFFAOYSA-N 1 0 476.616 3.317 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3cnn(C)c3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302954993 1067526943 /nfs/dbraw/zinc/52/69/43/1067526943.db2.gz KJJVCCSXTSABKZ-OYRHEFFESA-N 1 0 456.683 3.293 20 0 JGADRO FC(F)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302956199 1067527944 /nfs/dbraw/zinc/52/79/44/1067527944.db2.gz DYBNCDMRBLDIND-MRXNPFEDSA-N 1 0 455.937 3.386 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302957500 1067528878 /nfs/dbraw/zinc/52/88/78/1067528878.db2.gz QNPDBKSTFKAHKJ-CTNGQTDRSA-N 1 0 486.627 3.440 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001302957860 1067529372 /nfs/dbraw/zinc/52/93/72/1067529372.db2.gz VWSQKXLWFUTKDY-RUZDIDTESA-N 1 0 474.719 3.441 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302958918 1067530514 /nfs/dbraw/zinc/53/05/14/1067530514.db2.gz KHYIURSXNQUSQT-UHFFFAOYSA-N 1 0 487.737 3.170 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001302959651 1067531790 /nfs/dbraw/zinc/53/17/90/1067531790.db2.gz ZKBQPKMOEFXYCX-UHFFFAOYSA-N 1 0 495.716 3.157 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC1(O)CCCCCC1 ZINC001302961597 1067532670 /nfs/dbraw/zinc/53/26/70/1067532670.db2.gz OVXKBQFLEOYCII-QHCPKHFHSA-N 1 0 455.647 3.418 20 0 JGADRO Cc1cccc(-c2nnc(N(C)C3CC[NH+](CCn4cccn4)CC3)n2CCOC(C)(C)C)n1 ZINC001304452289 1067532823 /nfs/dbraw/zinc/53/28/23/1067532823.db2.gz OOGINYCNHQGSLL-UHFFFAOYSA-N 1 0 466.634 3.261 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001304452491 1067533282 /nfs/dbraw/zinc/53/32/82/1067533282.db2.gz QQMSGTKCFFVOQG-NRFANRHFSA-N 1 0 474.675 3.030 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302962187 1067533571 /nfs/dbraw/zinc/53/35/71/1067533571.db2.gz VPNFJFHWVGLAQQ-JOCHJYFZSA-N 1 0 476.616 3.155 20 0 JGADRO Cc1cccc(-c2nnc(N(C)C3CCN(C(=O)c4ccccc4)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304453256 1067534428 /nfs/dbraw/zinc/53/44/28/1067534428.db2.gz WGDSHHQNRLTMQN-HXUWFJFHSA-N 1 0 461.614 3.340 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@@](C)(O)c1ccccc1 ZINC001302965969 1067536265 /nfs/dbraw/zinc/53/62/65/1067536265.db2.gz MGRSTFXLUFCIST-AZSVPQILSA-N 1 0 468.690 3.379 20 0 JGADRO CC(C)Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302965901 1067536387 /nfs/dbraw/zinc/53/63/87/1067536387.db2.gz KXMTYHBGLGPJSC-NRFANRHFSA-N 1 0 459.683 3.323 20 0 JGADRO CC(C)Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302965902 1067536423 /nfs/dbraw/zinc/53/64/23/1067536423.db2.gz KXMTYHBGLGPJSC-OAQYLSRUSA-N 1 0 459.683 3.323 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCC(=O)N1CCCCCC1 ZINC001302966947 1067537184 /nfs/dbraw/zinc/53/71/84/1067537184.db2.gz ZTYKXMHQTMCDEY-DNQXCXABSA-N 1 0 487.737 3.264 20 0 JGADRO Cc1ncc(CN(C)c2nnc(-c3cccc(C)n3)n2CC2CC[NH+](CCN(C)C)CC2)s1 ZINC001304457214 1067537825 /nfs/dbraw/zinc/53/78/25/1067537825.db2.gz WSXQCCLAADAFAY-UHFFFAOYSA-N 1 0 468.675 3.323 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001304458096 1067538134 /nfs/dbraw/zinc/53/81/34/1067538134.db2.gz QKVMWSXECLYLIS-NRFANRHFSA-N 1 0 461.039 3.109 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001304459652 1067539032 /nfs/dbraw/zinc/53/90/32/1067539032.db2.gz KDQLDUTWOIDBHF-QFIPXVFZSA-N 1 0 469.678 3.460 20 0 JGADRO Fc1ccc(OCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CC(F)(F)F)cc1 ZINC001302970718 1067539080 /nfs/dbraw/zinc/53/90/80/1067539080.db2.gz WQDXCZSGACVNFY-UHFFFAOYSA-N 1 0 457.472 3.107 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001302971500 1067539314 /nfs/dbraw/zinc/53/93/14/1067539314.db2.gz FBLSRXRXCFHUTE-AUSIDOKSSA-N 1 0 457.648 3.327 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001302973166 1067540272 /nfs/dbraw/zinc/54/02/72/1067540272.db2.gz XNZQRBYVHZNXOT-DEOSSOPVSA-N 1 0 454.663 3.156 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001302975143 1067541589 /nfs/dbraw/zinc/54/15/89/1067541589.db2.gz JUXHSUQTISOTED-HXUWFJFHSA-N 1 0 464.655 3.081 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302975477 1067541636 /nfs/dbraw/zinc/54/16/36/1067541636.db2.gz KOYNPGWCNAVLDT-VQTJNVASSA-N 1 0 478.682 3.327 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304463775 1067541812 /nfs/dbraw/zinc/54/18/12/1067541812.db2.gz HZYGZWMCEJPLNO-GHTZIAJQSA-N 1 0 499.660 3.109 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](N4CCOCC4)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304464101 1067542115 /nfs/dbraw/zinc/54/21/15/1067542115.db2.gz JAKPATVYWJJIRF-XUZZJYLKSA-N 1 0 469.678 3.314 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001304464396 1067542412 /nfs/dbraw/zinc/54/24/12/1067542412.db2.gz GEBPPBQDYQQGSJ-MRXNPFEDSA-N 1 0 479.551 3.026 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302977141 1067543086 /nfs/dbraw/zinc/54/30/86/1067543086.db2.gz SSNJVBHLQGWNBK-HXUWFJFHSA-N 1 0 478.682 3.329 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CCCC[NH+]2CCOCC2)n1 ZINC001304465357 1067543607 /nfs/dbraw/zinc/54/36/07/1067543607.db2.gz LOMBCIAFCQPXEG-QFIPXVFZSA-N 1 0 497.688 3.138 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001302977924 1067543878 /nfs/dbraw/zinc/54/38/78/1067543878.db2.gz XCSWKKIOEJHSHB-HKUYNNGSSA-N 1 0 457.579 3.457 20 0 JGADRO Fc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001302978754 1067544409 /nfs/dbraw/zinc/54/44/09/1067544409.db2.gz SWYPQKIFCXACKK-UHFFFAOYSA-N 1 0 479.482 3.014 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001304467781 1067546512 /nfs/dbraw/zinc/54/65/12/1067546512.db2.gz RGLDLEZUZOOCEL-CTNGQTDRSA-N 1 0 469.634 3.434 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)Cc4ccccc4)CC3)n2CCC(=O)N(C)C)n1 ZINC001304467807 1067546540 /nfs/dbraw/zinc/54/65/40/1067546540.db2.gz SLQMMBQVNHWPKZ-UHFFFAOYSA-N 1 0 475.641 3.475 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(c4ccc(O)cc4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001304468624 1067547578 /nfs/dbraw/zinc/54/75/78/1067547578.db2.gz PYRUNZWQEGHQHW-UHFFFAOYSA-N 1 0 450.587 3.316 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2CCC(=O)N(C)C)n1 ZINC001304473140 1067551272 /nfs/dbraw/zinc/55/12/72/1067551272.db2.gz PYYYCJCESWEYEZ-NRFANRHFSA-N 1 0 453.635 3.219 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001304473680 1067551640 /nfs/dbraw/zinc/55/16/40/1067551640.db2.gz SQPBDKSYRWFXNJ-VXKWHMMOSA-N 1 0 497.688 3.281 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001302990446 1067551889 /nfs/dbraw/zinc/55/18/89/1067551889.db2.gz FFXXPSCATPLMPE-HBMCJLEFSA-N 1 0 488.702 3.208 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304474822 1067552512 /nfs/dbraw/zinc/55/25/12/1067552512.db2.gz LSIVCWFTLWYFHL-GMAHTHKFSA-N 1 0 456.635 3.257 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001302991220 1067552589 /nfs/dbraw/zinc/55/25/89/1067552589.db2.gz OJUCMTASULWIOV-DYXWJJEUSA-N 1 0 468.712 3.271 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001302991222 1067552664 /nfs/dbraw/zinc/55/26/64/1067552664.db2.gz OJUCMTASULWIOV-SVFBPWRDSA-N 1 0 468.712 3.271 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC001302991843 1067552907 /nfs/dbraw/zinc/55/29/07/1067552907.db2.gz SMIZOZWYDBDRFG-URXFXBBRSA-N 1 0 482.673 3.294 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(OCC[NH+]4CCCC4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001304474836 1067552955 /nfs/dbraw/zinc/55/29/55/1067552955.db2.gz MALSDTUPYMLNOV-VWLOTQADSA-N 1 0 456.635 3.137 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001304477642 1067555797 /nfs/dbraw/zinc/55/57/97/1067555797.db2.gz RNEQNODWOQOOFF-PKOBYXMFSA-N 1 0 465.568 3.453 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001304477639 1067555853 /nfs/dbraw/zinc/55/58/53/1067555853.db2.gz RNEQNODWOQOOFF-HKUYNNGSSA-N 1 0 465.568 3.453 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(c4ccc(F)cn4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304477744 1067556110 /nfs/dbraw/zinc/55/61/10/1067556110.db2.gz UHXYASKDKFPVPP-UHFFFAOYSA-N 1 0 452.582 3.097 20 0 JGADRO CC(C)C[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001302996936 1067556476 /nfs/dbraw/zinc/55/64/76/1067556476.db2.gz IKUDFXWFDQDFGC-LJQANCHMSA-N 1 0 451.623 3.381 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCO[C@H](C)C3)n2Cc2ccccc2OCC[NH+](C)C)n1 ZINC001304478268 1067556989 /nfs/dbraw/zinc/55/69/89/1067556989.db2.gz BEGFPNWORJBWEE-HXUWFJFHSA-N 1 0 450.587 3.252 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001304479081 1067558377 /nfs/dbraw/zinc/55/83/77/1067558377.db2.gz SOKOWBIBAIGWNO-UHFFFAOYSA-N 1 0 453.635 3.218 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304479643 1067558960 /nfs/dbraw/zinc/55/89/60/1067558960.db2.gz ZDWAQJZNEHMZSD-NRFANRHFSA-N 1 0 495.594 3.080 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001304479502 1067559003 /nfs/dbraw/zinc/55/90/03/1067559003.db2.gz UTHFQEICNYSYRN-HXUWFJFHSA-N 1 0 469.634 3.436 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CCc2ccncc2)n1 ZINC001304479844 1067559326 /nfs/dbraw/zinc/55/93/26/1067559326.db2.gz DFVHMQSEMFISOB-UHFFFAOYSA-N 1 0 489.546 3.377 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304481439 1067560951 /nfs/dbraw/zinc/56/09/51/1067560951.db2.gz FINSITOYOWBLPT-NRFANRHFSA-N 1 0 456.635 3.401 20 0 JGADRO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001304482108 1067561641 /nfs/dbraw/zinc/56/16/41/1067561641.db2.gz KSVOZHKIPSBHRD-UHFFFAOYSA-N 1 0 467.662 3.409 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303008701 1067563371 /nfs/dbraw/zinc/56/33/71/1067563371.db2.gz ONWOEHOKBAJJDW-VWLOTQADSA-N 1 0 457.619 3.434 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001304484436 1067563668 /nfs/dbraw/zinc/56/36/68/1067563668.db2.gz JOWFIQOMRWHSSM-MSOLQXFVSA-N 1 0 455.607 3.235 20 0 JGADRO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC001304489097 1067567729 /nfs/dbraw/zinc/56/77/29/1067567729.db2.gz CFJHYRTYAKNVJR-YADHBBJMSA-N 1 0 467.662 3.453 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](Cc4cccc(C)c4)CC3)n2CCNC(=O)C(C)C)o1 ZINC001304495762 1067572073 /nfs/dbraw/zinc/57/20/73/1067572073.db2.gz LIMQFIWPLRMBGD-UHFFFAOYSA-N 1 0 450.587 3.249 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](Cc4cccc(C)c4)CC3)n2CCCC(=O)N(C)C)o1 ZINC001304496446 1067572430 /nfs/dbraw/zinc/57/24/30/1067572430.db2.gz SDQXKZCTDGVANJ-UHFFFAOYSA-N 1 0 450.587 3.346 20 0 JGADRO CC(C)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001303020863 1067572884 /nfs/dbraw/zinc/57/28/84/1067572884.db2.gz GFCPMFXVPLGHRO-UHFFFAOYSA-N 1 0 474.675 3.306 20 0 JGADRO Cc1cccc(N2CCN(c3nnc(CC(C)C)n3CCCC[N@@H+]3CCC[C@@H]3CO)CC2)c1 ZINC001304498370 1067573425 /nfs/dbraw/zinc/57/34/25/1067573425.db2.gz UTMIRHSXPCCTLR-XMMPIXPASA-N 1 0 454.663 3.349 20 0 JGADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304498876 1067574189 /nfs/dbraw/zinc/57/41/89/1067574189.db2.gz ZUMSYIXXEWIXLY-CTNGQTDRSA-N 1 0 467.662 3.084 20 0 JGADRO Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC001304499764 1067574612 /nfs/dbraw/zinc/57/46/12/1067574612.db2.gz CCXNTXNWWVOIRX-VXKWHMMOSA-N 1 0 497.688 3.305 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)Cc3cnccn3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001304500128 1067575175 /nfs/dbraw/zinc/57/51/75/1067575175.db2.gz JJWAHYIWHUPBDI-SFTDATJTSA-N 1 0 465.602 3.091 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001304502393 1067576682 /nfs/dbraw/zinc/57/66/82/1067576682.db2.gz HYQNPRQEUAQJDW-HXUWFJFHSA-N 1 0 475.659 3.053 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001304502231 1067576747 /nfs/dbraw/zinc/57/67/47/1067576747.db2.gz NINARUYXQMHFAC-QHCPKHFHSA-N 1 0 457.619 3.018 20 0 JGADRO NC(=O)[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCCC2)C1 ZINC001303032161 1067580362 /nfs/dbraw/zinc/58/03/62/1067580362.db2.gz CVXGVXBACLKOJY-SFHVURJKSA-N 1 0 460.573 3.115 20 0 JGADRO CC(C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001303034261 1067580961 /nfs/dbraw/zinc/58/09/61/1067580961.db2.gz MXEIDSNTLLKZLM-UHFFFAOYSA-N 1 0 474.600 3.328 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001304510740 1067585519 /nfs/dbraw/zinc/58/55/19/1067585519.db2.gz AVUJICXBAWXCNY-YZIHRLCOSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001304511828 1067587868 /nfs/dbraw/zinc/58/78/68/1067587868.db2.gz HVLXVBMAGSSATO-OAQYLSRUSA-N 1 0 470.618 3.315 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCCNC(=O)C(C)C)c1 ZINC001304511862 1067587883 /nfs/dbraw/zinc/58/78/83/1067587883.db2.gz IPSCNFGVOGTCIT-QFIPXVFZSA-N 1 0 498.672 3.017 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCNC(=O)OC(C)(C)C)c1 ZINC001304512056 1067588174 /nfs/dbraw/zinc/58/81/74/1067588174.db2.gz WJQXELZMHFJVCW-UHFFFAOYSA-N 1 0 458.607 3.221 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001303047240 1067589341 /nfs/dbraw/zinc/58/93/41/1067589341.db2.gz IWLGAKCMBUYUJY-IBGZPJMESA-N 1 0 467.618 3.433 20 0 JGADRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccccc1NCc1ccccc1Cl ZINC001303049513 1067590393 /nfs/dbraw/zinc/59/03/93/1067590393.db2.gz FUPZYTVBKLKCHH-OAQYLSRUSA-N 1 0 457.018 3.479 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCC[N@@H+](C)C2CCCCC2)c1 ZINC001304515878 1067592271 /nfs/dbraw/zinc/59/22/71/1067592271.db2.gz SFIGEAOXXUJWEI-UHFFFAOYSA-N 1 0 475.659 3.055 20 0 JGADRO Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC[N@@H+]1CCC[C@@H](C)C1)C2 ZINC001304516929 1067592816 /nfs/dbraw/zinc/59/28/16/1067592816.db2.gz RLSIUWGLKVXFEV-TZIWHRDSSA-N 1 0 488.702 3.272 20 0 JGADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001304517651 1067593144 /nfs/dbraw/zinc/59/31/44/1067593144.db2.gz CYZJXJAYMWQIET-HSZRJFAPSA-N 1 0 492.672 3.362 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)C[NH+]1CCCC1 ZINC001304519702 1067595293 /nfs/dbraw/zinc/59/52/93/1067595293.db2.gz LLDLEPIBBBQKBK-HOJAQTOUSA-N 1 0 462.664 3.126 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)Cc2ccccn2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304521565 1067596783 /nfs/dbraw/zinc/59/67/83/1067596783.db2.gz LHYMKZPVIBBYGC-HSZRJFAPSA-N 1 0 461.614 3.228 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001304523795 1067597792 /nfs/dbraw/zinc/59/77/92/1067597792.db2.gz BQFVTIYYFMULSU-FPOVZHCZSA-N 1 0 459.660 3.389 20 0 JGADRO Cc1ccccc1-c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304527998 1067599902 /nfs/dbraw/zinc/59/99/02/1067599902.db2.gz LEXPQHTZGOMWJL-UNMCSNQZSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001304529595 1067600978 /nfs/dbraw/zinc/60/09/78/1067600978.db2.gz HMAIJJGROPSWCT-LJQANCHMSA-N 1 0 472.659 3.406 20 0 JGADRO O=C(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)NCC(F)F ZINC001303068748 1067603680 /nfs/dbraw/zinc/60/36/80/1067603680.db2.gz CENXVHJAMSUTNP-OAHLLOKOSA-N 1 0 484.954 3.431 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001304532266 1067603698 /nfs/dbraw/zinc/60/36/98/1067603698.db2.gz NQEFCTAQYHQVRW-OAQYLSRUSA-N 1 0 488.683 3.136 20 0 JGADRO Cc1n[nH]cc1CCCn1c(-c2ccccc2C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304536508 1067607423 /nfs/dbraw/zinc/60/74/23/1067607423.db2.gz ABJOMSSHJGKUDK-UHFFFAOYSA-N 1 0 451.619 3.465 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001304537274 1067608807 /nfs/dbraw/zinc/60/88/07/1067608807.db2.gz NEWVWAGMBRSBRB-UHFFFAOYSA-N 1 0 461.614 3.354 20 0 JGADRO Cc1ccccc1-c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001304539189 1067610489 /nfs/dbraw/zinc/61/04/89/1067610489.db2.gz NDYYFWBWGLJXQY-OYRHEFFESA-N 1 0 484.645 3.135 20 0 JGADRO O=C(Nc1ccccn1)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCSC(F)(F)F ZINC001303078195 1067611323 /nfs/dbraw/zinc/61/13/23/1067611323.db2.gz NDYSZUJSNDLDEJ-HNNXBMFYSA-N 1 0 469.537 3.243 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001304541077 1067611810 /nfs/dbraw/zinc/61/18/10/1067611810.db2.gz ZRAZCGYBPJPMHR-LEWJYISDSA-N 1 0 484.645 3.204 20 0 JGADRO Cc1ccccc1[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001304544759 1067615183 /nfs/dbraw/zinc/61/51/83/1067615183.db2.gz XZOSEBPDAGYOIP-ICSRJNTNSA-N 1 0 468.627 3.106 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001304546926 1067615896 /nfs/dbraw/zinc/61/58/96/1067615896.db2.gz KIGVAIHQEJWDPV-QFIPXVFZSA-N 1 0 461.676 3.310 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CC(C)(C)C[NH+]1CCCC1 ZINC001304548210 1067617190 /nfs/dbraw/zinc/61/71/90/1067617190.db2.gz UHSDYCWBNDQRID-HXUWFJFHSA-N 1 0 461.676 3.169 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001304549235 1067618488 /nfs/dbraw/zinc/61/84/88/1067618488.db2.gz HTPMZLRVXFTIAL-NQIIRXRSSA-N 1 0 452.628 3.209 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304550348 1067619672 /nfs/dbraw/zinc/61/96/72/1067619672.db2.gz JXGPLTGKQNTQCS-QHCPKHFHSA-N 1 0 490.718 3.014 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC[NH+]1CCCC1 ZINC001304551084 1067620541 /nfs/dbraw/zinc/62/05/41/1067620541.db2.gz OVZOVUMERIMPBC-UHFFFAOYSA-N 1 0 478.563 3.168 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCC[NH+](C(C)C)C(C)C ZINC001304551445 1067620873 /nfs/dbraw/zinc/62/08/73/1067620873.db2.gz AGGOKVPSPFAPRK-UHFFFAOYSA-N 1 0 495.672 3.207 20 0 JGADRO Cc1occc1C(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001304553204 1067622595 /nfs/dbraw/zinc/62/25/95/1067622595.db2.gz OBIRNRDDQYSFSO-LJQANCHMSA-N 1 0 464.614 3.428 20 0 JGADRO O=C(NCc1nnc(N2CC=C(C(F)(F)F)CC2)n1CC[NH+]1CCCC1)c1cccs1 ZINC001303088863 1067623554 /nfs/dbraw/zinc/62/35/54/1067623554.db2.gz STSGWMHAGWXDIR-UHFFFAOYSA-N 1 0 454.522 3.064 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001304555536 1067624233 /nfs/dbraw/zinc/62/42/33/1067624233.db2.gz FZUFCLKJKJWNFU-QHCPKHFHSA-N 1 0 452.647 3.391 20 0 JGADRO C[C@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001304556114 1067624856 /nfs/dbraw/zinc/62/48/56/1067624856.db2.gz IPTQGGWMQDDTCO-QFIPXVFZSA-N 1 0 452.437 3.067 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCCC2(C)C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304556322 1067625202 /nfs/dbraw/zinc/62/52/02/1067625202.db2.gz JFLRYLJHGCPNDB-JOCHJYFZSA-N 1 0 452.647 3.499 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001303089645 1067625944 /nfs/dbraw/zinc/62/59/44/1067625944.db2.gz DZGREELDDMEVDC-LJQANCHMSA-N 1 0 473.584 3.434 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001303090217 1067626702 /nfs/dbraw/zinc/62/67/02/1067626702.db2.gz PBNXWLRRONNMMN-JOCHJYFZSA-N 1 0 489.686 3.332 20 0 JGADRO O=C(NCc1nnc(N2CCC[C@@H](C(F)F)C2)n1CCC[NH+]1CCCC1)c1cccs1 ZINC001303090385 1067627107 /nfs/dbraw/zinc/62/71/07/1067627107.db2.gz ZCFUNCNQUHGWMH-MRXNPFEDSA-N 1 0 452.575 3.237 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccccc3F)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001303090782 1067627461 /nfs/dbraw/zinc/62/74/61/1067627461.db2.gz DDUTVIYAXOPYMB-UHFFFAOYSA-N 1 0 472.609 3.033 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001303091294 1067628098 /nfs/dbraw/zinc/62/80/98/1067628098.db2.gz SJCUEXXTNYEEFJ-FCHUYYIVSA-N 1 0 465.708 3.421 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC001303091283 1067628131 /nfs/dbraw/zinc/62/81/31/1067628131.db2.gz SDPSIVCCRJUJDA-UHFFFAOYSA-N 1 0 487.737 3.025 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(N3CC[C@@H](C)[C@@H](O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001303091220 1067628145 /nfs/dbraw/zinc/62/81/45/1067628145.db2.gz PZYGQHOYLUQUPL-VIICAESSSA-N 1 0 477.694 3.284 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304560279 1067629927 /nfs/dbraw/zinc/62/99/27/1067629927.db2.gz GIZQGMFSMNGDSL-OFVILXPXSA-N 1 0 454.619 3.185 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001304560613 1067630318 /nfs/dbraw/zinc/63/03/18/1067630318.db2.gz HKDYAFWFILVJKH-JOCHJYFZSA-N 1 0 498.672 3.203 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001304562468 1067632668 /nfs/dbraw/zinc/63/26/68/1067632668.db2.gz WMAISVBPGBJENO-HSZRJFAPSA-N 1 0 468.690 3.456 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001303099853 1067637820 /nfs/dbraw/zinc/63/78/20/1067637820.db2.gz BEGGZKNJGBVXAY-SFTDATJTSA-N 1 0 468.646 3.427 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2=CCCCC2)CC1 ZINC001304570697 1067638596 /nfs/dbraw/zinc/63/85/96/1067638596.db2.gz POBNZYGQWFRSAA-HXUWFJFHSA-N 1 0 472.659 3.019 20 0 JGADRO Cc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001304570995 1067639101 /nfs/dbraw/zinc/63/91/01/1067639101.db2.gz TYPXQOKAYHZYKM-UHFFFAOYSA-N 1 0 450.553 3.491 20 0 JGADRO Cc1ccccc1O[C@@H](C)Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C ZINC001304575276 1067644188 /nfs/dbraw/zinc/64/41/88/1067644188.db2.gz YUQSZCNTKFQEQR-SFTDATJTSA-N 1 0 468.646 3.094 20 0 JGADRO O=C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCCC[NH+]2CCCCC2)CCN1 ZINC001303107258 1067645236 /nfs/dbraw/zinc/64/52/36/1067645236.db2.gz DGYQQVOTVCNTBY-UHFFFAOYSA-N 1 0 475.037 3.493 20 0 JGADRO Cc1ccccc1OCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001304577848 1067646137 /nfs/dbraw/zinc/64/61/37/1067646137.db2.gz PARVDKUPNALVNJ-LEWJYISDSA-N 1 0 454.619 3.173 20 0 JGADRO CC(C)CCOC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001303110409 1067648585 /nfs/dbraw/zinc/64/85/85/1067648585.db2.gz VGWRWEQDCUQXOU-FQEVSTJZSA-N 1 0 481.707 3.086 20 0 JGADRO Cc1ccnc(OC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001304581796 1067650780 /nfs/dbraw/zinc/65/07/80/1067650780.db2.gz CKSYKJDSRCXLBO-FQEVSTJZSA-N 1 0 471.650 3.144 20 0 JGADRO Cc1ccnc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CC[C@H](C)[NH+]3CCCCC3)CC2)c1 ZINC001304582582 1067651954 /nfs/dbraw/zinc/65/19/54/1067651954.db2.gz LXKYKFFKJDYMIG-NRFANRHFSA-N 1 0 483.661 3.432 20 0 JGADRO Cc1ccnc(OC2CCN(c3nnc(C(C)(C)C)n3CCCC[NH+]3CCOCC3)CC2)c1 ZINC001304584117 1067653161 /nfs/dbraw/zinc/65/31/61/1067653161.db2.gz BOJCMLHMKXKGEE-UHFFFAOYSA-N 1 0 456.635 3.439 20 0 JGADRO CC1=CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001304585424 1067654119 /nfs/dbraw/zinc/65/41/19/1067654119.db2.gz HCDSSQLSNUGAFW-UHFFFAOYSA-N 1 0 486.686 3.474 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC=C(C)C2)[NH+]2CCCC2)cc1 ZINC001304585948 1067655074 /nfs/dbraw/zinc/65/50/74/1067655074.db2.gz XPHNOCLASSZTAX-UNMCSNQZSA-N 1 0 472.659 3.190 20 0 JGADRO CC1=CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCCC2)C1 ZINC001304589122 1067656579 /nfs/dbraw/zinc/65/65/79/1067656579.db2.gz NUPFVSJJNKWVLD-FQEVSTJZSA-N 1 0 460.623 3.229 20 0 JGADRO CC1=CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001304590341 1067657572 /nfs/dbraw/zinc/65/75/72/1067657572.db2.gz FTWVKCPKFLTRBD-QHAWAJNXSA-N 1 0 474.650 3.052 20 0 JGADRO CC1=CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001304590518 1067657613 /nfs/dbraw/zinc/65/76/13/1067657613.db2.gz UKAYHISWHQISNW-OAQYLSRUSA-N 1 0 452.386 3.387 20 0 JGADRO CN(C[C@H]1CCCCN1C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001303122810 1067663106 /nfs/dbraw/zinc/66/31/06/1067663106.db2.gz VWKCOSXOLZQUJF-QZTJIDSGSA-N 1 0 456.628 3.079 20 0 JGADRO Cc1cnn(CCn2c(CC(C)(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC001304603335 1067668708 /nfs/dbraw/zinc/66/87/08/1067668708.db2.gz QGJLMUJHKBWJIK-UHFFFAOYSA-N 1 0 457.667 3.401 20 0 JGADRO Cc1cnn(C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CCO2)c1 ZINC001304603600 1067669096 /nfs/dbraw/zinc/66/90/96/1067669096.db2.gz SMBKOTUVOUMPJI-VQTJNVASSA-N 1 0 457.648 3.350 20 0 JGADRO CC(C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001303129463 1067671721 /nfs/dbraw/zinc/67/17/21/1067671721.db2.gz PXMLXCABJJPNKF-JOCHJYFZSA-N 1 0 477.613 3.023 20 0 JGADRO OC1(C(F)(F)F)CCN(c2nnc(CCCc3ccccc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303136059 1067677308 /nfs/dbraw/zinc/67/73/08/1067677308.db2.gz KWPSNFQORSGROE-UHFFFAOYSA-N 1 0 495.590 3.459 20 0 JGADRO Cc1coc(C)c1Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304612369 1067679559 /nfs/dbraw/zinc/67/95/59/1067679559.db2.gz KRJJIXJCRNJBTG-UHFFFAOYSA-N 1 0 479.507 3.084 20 0 JGADRO OC1CC[NH+](CCCn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)CC1 ZINC001303143205 1067681789 /nfs/dbraw/zinc/68/17/89/1067681789.db2.gz HOFYDLVBRNIEHO-UHFFFAOYSA-N 1 0 484.428 3.237 20 0 JGADRO 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CC(C)[N@H+](C)Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001303255221 1067781140 /nfs/dbraw/zinc/78/11/40/1067781140.db2.gz ZQGMROQKGJUATB-JOCHJYFZSA-N 1 0 467.662 3.311 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(F)(F)F ZINC001303255180 1067781166 /nfs/dbraw/zinc/78/11/66/1067781166.db2.gz YDBSWWWPMDGYIT-GOSISDBHSA-N 1 0 473.565 3.067 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccccn2)CC1 ZINC001303255203 1067781210 /nfs/dbraw/zinc/78/12/10/1067781210.db2.gz YYNVRGRRJWDLKY-UHFFFAOYSA-N 1 0 467.662 3.444 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001303256589 1067783154 /nfs/dbraw/zinc/78/31/54/1067783154.db2.gz MJYFQRGMCMUXSX-UHFFFAOYSA-N 1 0 491.644 3.434 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2COCCO2)CC1 ZINC001303257625 1067784751 /nfs/dbraw/zinc/78/47/51/1067784751.db2.gz WYDKQTSGZVWREW-IBGZPJMESA-N 1 0 495.466 3.398 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001303258658 1067785033 /nfs/dbraw/zinc/78/50/33/1067785033.db2.gz NOWFSPWNUYERBR-UHFFFAOYSA-N 1 0 491.677 3.389 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001303261515 1067787429 /nfs/dbraw/zinc/78/74/29/1067787429.db2.gz LKUFECROWBGMOX-HKUYNNGSSA-N 1 0 475.435 3.153 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 ZINC001303261523 1067787537 /nfs/dbraw/zinc/78/75/37/1067787537.db2.gz LPDPPANJYZOTEW-UHFFFAOYSA-N 1 0 473.025 3.244 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001303261698 1067788398 /nfs/dbraw/zinc/78/83/98/1067788398.db2.gz SKQNOSXMSXROOD-LEWJYISDSA-N 1 0 484.636 3.042 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001303262576 1067789689 /nfs/dbraw/zinc/78/96/89/1067789689.db2.gz HLKGWLOLJCEPIK-UHFFFAOYSA-N 1 0 497.047 3.149 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001304719180 1067790397 /nfs/dbraw/zinc/79/03/97/1067790397.db2.gz HNSXDLQBNSMHEC-QFIPXVFZSA-N 1 0 481.645 3.148 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccn2C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304719048 1067790486 /nfs/dbraw/zinc/79/04/86/1067790486.db2.gz BXULPNDHGLXRKL-ROUUACIJSA-N 1 0 468.650 3.158 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccccc2F)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001304720211 1067791405 /nfs/dbraw/zinc/79/14/05/1067791405.db2.gz MEUQCSKZMDNPOO-HXUWFJFHSA-N 1 0 469.609 3.428 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001303264064 1067791619 /nfs/dbraw/zinc/79/16/19/1067791619.db2.gz AHYFQSJQLTXJFP-RDPSFJRHSA-N 1 0 462.038 3.350 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001303264698 1067791878 /nfs/dbraw/zinc/79/18/78/1067791878.db2.gz MZGGZGCKANAYMS-XMMPIXPASA-N 1 0 470.021 3.303 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001303265416 1067792410 /nfs/dbraw/zinc/79/24/10/1067792410.db2.gz INSBPLDRZRUJQF-JOCHJYFZSA-N 1 0 475.726 3.120 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001303265806 1067792837 /nfs/dbraw/zinc/79/28/37/1067792837.db2.gz LGGSMIHJRZTYNG-NRFANRHFSA-N 1 0 475.659 3.000 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCCO1 ZINC001303265796 1067792864 /nfs/dbraw/zinc/79/28/64/1067792864.db2.gz LACDXYDKTCOVEF-NHCUHLMSSA-N 1 0 494.681 3.322 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCCO1 ZINC001303265797 1067792872 /nfs/dbraw/zinc/79/28/72/1067792872.db2.gz LACDXYDKTCOVEF-RTWAWAEBSA-N 1 0 494.681 3.322 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cccnc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001303266261 1067793127 /nfs/dbraw/zinc/79/31/27/1067793127.db2.gz XQVSDRLJNUSUCA-IBGZPJMESA-N 1 0 457.623 3.421 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1Cc1ccccc1 ZINC001303266513 1067793801 /nfs/dbraw/zinc/79/38/01/1067793801.db2.gz RAQRNEINIMFFPP-FCHUYYIVSA-N 1 0 459.660 3.122 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001303267207 1067794061 /nfs/dbraw/zinc/79/40/61/1067794061.db2.gz ZMCHOTZKPVKUPF-HSZRJFAPSA-N 1 0 468.646 3.255 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1Br ZINC001303266820 1067794274 /nfs/dbraw/zinc/79/42/74/1067794274.db2.gz VWZGADHKKKAOOU-GOSISDBHSA-N 1 0 498.491 3.309 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001303267215 1067794339 /nfs/dbraw/zinc/79/43/39/1067794339.db2.gz ZPFNPCPYVQMSJH-UHFFFAOYSA-N 1 0 471.053 3.313 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001303267718 1067794917 /nfs/dbraw/zinc/79/49/17/1067794917.db2.gz GMUIUFUNZHGHIQ-VWLOTQADSA-N 1 0 452.578 3.231 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2cccnc2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001303267937 1067795242 /nfs/dbraw/zinc/79/52/42/1067795242.db2.gz KVDDJIQRKOOSKZ-SZPZYZBQSA-N 1 0 483.661 3.297 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C ZINC001303268376 1067796254 /nfs/dbraw/zinc/79/62/54/1067796254.db2.gz GXQRFEIXVPFKIM-UYAOXDASSA-N 1 0 450.672 3.278 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001303268984 1067797286 /nfs/dbraw/zinc/79/72/86/1067797286.db2.gz OUOQWOJOPQOUEG-FGZHOGPDSA-N 1 0 489.709 3.311 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001303268960 1067797496 /nfs/dbraw/zinc/79/74/96/1067797496.db2.gz VWICQJBDXVILIG-HSZRJFAPSA-N 1 0 464.010 3.237 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(N2CCN(CC(=O)N3CCc4ccccc43)CC2)nnc1C(C)(C)C ZINC001303268870 1067797550 /nfs/dbraw/zinc/79/75/50/1067797550.db2.gz NXJDTUSSDKMYDD-UHFFFAOYSA-N 1 0 481.689 3.017 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303268858 1067797563 /nfs/dbraw/zinc/79/75/63/1067797563.db2.gz NPNKYGAKBLUYCF-UHFFFAOYSA-N 1 0 466.472 3.307 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001304725757 1067798031 /nfs/dbraw/zinc/79/80/31/1067798031.db2.gz IDIMUQAUEDRALV-OAQYLSRUSA-N 1 0 470.710 3.414 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001303269227 1067798022 /nfs/dbraw/zinc/79/80/22/1067798022.db2.gz UUZJYWGFVAYDOI-HXUWFJFHSA-N 1 0 461.010 3.086 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001303269457 1067798197 /nfs/dbraw/zinc/79/81/97/1067798197.db2.gz ZALUDGGUMYTXRH-FQEVSTJZSA-N 1 0 488.434 3.150 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C ZINC001303269477 1067798450 /nfs/dbraw/zinc/79/84/50/1067798450.db2.gz ZMPXELRFMLICTQ-VAMGGRTRSA-N 1 0 458.655 3.397 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001303270690 1067799171 /nfs/dbraw/zinc/79/91/71/1067799171.db2.gz FKHAOTPJANYZKR-NRFANRHFSA-N 1 0 461.614 3.327 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001303270883 1067799554 /nfs/dbraw/zinc/79/95/54/1067799554.db2.gz MIPDVIRCUSWJTC-RTBURBONSA-N 1 0 493.425 3.434 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001303271397 1067799980 /nfs/dbraw/zinc/79/99/80/1067799980.db2.gz QTVLHRJZXCJKMN-UHFFFAOYSA-N 1 0 463.424 3.140 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001303271999 1067801099 /nfs/dbraw/zinc/80/10/99/1067801099.db2.gz WWHDDXGNELEWCV-QGZVFWFLSA-N 1 0 482.551 3.129 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001303272040 1067801152 /nfs/dbraw/zinc/80/11/52/1067801152.db2.gz XUIVEOZEDLHKMK-UHFFFAOYSA-N 1 0 460.026 3.323 20 0 JGADRO 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CC(C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001303276390 1067804030 /nfs/dbraw/zinc/80/40/30/1067804030.db2.gz MEMQOZUXEJHLMR-NRFANRHFSA-N 1 0 466.609 3.243 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001303276384 1067804047 /nfs/dbraw/zinc/80/40/47/1067804047.db2.gz LVWWUDMYHQNTGC-NRFANRHFSA-N 1 0 459.610 3.370 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001303278256 1067805518 /nfs/dbraw/zinc/80/55/18/1067805518.db2.gz ZZFBGENMNSAUER-VQTJNVASSA-N 1 0 464.655 3.348 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001303278227 1067805624 /nfs/dbraw/zinc/80/56/24/1067805624.db2.gz ZMCLLSMCBKXOPL-LJQANCHMSA-N 1 0 450.628 3.163 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 ZINC001303278386 1067806619 /nfs/dbraw/zinc/80/66/19/1067806619.db2.gz BRKPTTDBWUZGBS-IBGZPJMESA-N 1 0 458.611 3.117 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001303278557 1067807136 /nfs/dbraw/zinc/80/71/36/1067807136.db2.gz JDLCBHLKKIFYDL-HNNXBMFYSA-N 1 0 469.417 3.171 20 0 JGADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303279757 1067808406 /nfs/dbraw/zinc/80/84/06/1067808406.db2.gz DTQKOGOAAYIFPN-XMMPIXPASA-N 1 0 474.650 3.392 20 0 JGADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCCC1 ZINC001303281782 1067809286 /nfs/dbraw/zinc/80/92/86/1067809286.db2.gz GZNPLKHSPHLVKB-FQEVSTJZSA-N 1 0 463.623 3.220 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001304736511 1067811058 /nfs/dbraw/zinc/81/10/58/1067811058.db2.gz MEXGJKOUWVTIBQ-WOJBJXKFSA-N 1 0 499.685 3.223 20 0 JGADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(CCCc4ccccc4)n3C[C@H](C)[NH+](C)C)C2)n1 ZINC001304737123 1067811227 /nfs/dbraw/zinc/81/12/27/1067811227.db2.gz OZKRAXFNEZXFEC-CVDCTZTESA-N 1 0 450.635 3.453 20 0 JGADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(COc4ccc(F)cc4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001304737804 1067811922 /nfs/dbraw/zinc/81/19/22/1067811922.db2.gz RDMRQMRTIUEPAZ-NRFANRHFSA-N 1 0 470.597 3.386 20 0 JGADRO CC(C)N(Cc1cccs1)c1nnc(-c2cnccn2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303285002 1067811806 /nfs/dbraw/zinc/81/18/06/1067811806.db2.gz HJLAGGVZVBTDCU-UHFFFAOYSA-N 1 0 468.675 3.485 20 0 JGADRO CC(C)N(Cc1ccco1)c1nnc([C@H]2CCCCO2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303287063 1067813250 /nfs/dbraw/zinc/81/32/50/1067813250.db2.gz GNBXSTSYKDMYRU-FCHUYYIVSA-N 1 0 472.634 3.470 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCSC3)n2CC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001304740682 1067815764 /nfs/dbraw/zinc/81/57/64/1067815764.db2.gz QTACGYDXUYGIQF-NRFANRHFSA-N 1 0 457.623 3.353 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3c(C)nn(C)c3C)n2CC[NH+]2CCCCCC2)n1 ZINC001304740600 1067815809 /nfs/dbraw/zinc/81/58/09/1067815809.db2.gz KUPZENXPQZLOJC-UHFFFAOYSA-N 1 0 453.639 3.002 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001304741077 1067816694 /nfs/dbraw/zinc/81/66/94/1067816694.db2.gz XUERTWZMLYLDOG-QFIPXVFZSA-N 1 0 487.052 3.181 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCC2=O)CC1)C(C)C ZINC001303292054 1067817071 /nfs/dbraw/zinc/81/70/71/1067817071.db2.gz SKLPIDOHIVPCQZ-OAQYLSRUSA-N 1 0 460.667 3.272 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)C(C)C ZINC001303292134 1067817179 /nfs/dbraw/zinc/81/71/79/1067817179.db2.gz VBFWWWLKTBYOLI-BWKNWUBXSA-N 1 0 456.635 3.157 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1)C(C)C ZINC001303292359 1067817409 /nfs/dbraw/zinc/81/74/09/1067817409.db2.gz YAJMFAHUOBHYOE-JOCHJYFZSA-N 1 0 488.702 3.146 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1)C(C)C ZINC001303292241 1067817541 /nfs/dbraw/zinc/81/75/41/1067817541.db2.gz AQBVUGSABHYURB-AREMUKBSSA-N 1 0 495.603 3.281 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1)C(C)C ZINC001303292434 1067817877 /nfs/dbraw/zinc/81/78/77/1067817877.db2.gz ZOHIZQOMVVCXIN-QHCPKHFHSA-N 1 0 495.672 3.091 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC001304741674 1067818220 /nfs/dbraw/zinc/81/82/20/1067818220.db2.gz ZJTHBNSCAXLAJV-HXUWFJFHSA-N 1 0 498.701 3.389 20 0 JGADRO CC(C)[NH+](CCCn1c(CN2CCCC2=O)nnc1N1CCOC[C@@H](C2CCC2)C1)C(C)C ZINC001303292571 1067818255 /nfs/dbraw/zinc/81/82/55/1067818255.db2.gz IXVLYAGMKRIARG-QFIPXVFZSA-N 1 0 460.667 3.162 20 0 JGADRO CC(C)[NH+](CCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001303292573 1067818405 /nfs/dbraw/zinc/81/84/05/1067818405.db2.gz IZPBVONFHJUTNG-JOCHJYFZSA-N 1 0 486.686 3.413 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2CC2([NH+]3CCSCC3)CCCC2)n1 ZINC001304741871 1067818681 /nfs/dbraw/zinc/81/86/81/1067818681.db2.gz XCPDSGMLYJJSCP-UHFFFAOYSA-N 1 0 471.597 3.500 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC[NH+]2CCC(C)CC2)n1 ZINC001304741968 1067819154 /nfs/dbraw/zinc/81/91/54/1067819154.db2.gz NPGUBUJMAICKRV-UHFFFAOYSA-N 1 0 493.582 3.260 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001304742633 1067819844 /nfs/dbraw/zinc/81/98/44/1067819844.db2.gz VZGUHVAPMDYZCO-QHCPKHFHSA-N 1 0 495.676 3.046 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4ccccc4)n3CC[S@@](=O)C(C)(C)C)CC2)CC1 ZINC001303296639 1067820420 /nfs/dbraw/zinc/82/04/20/1067820420.db2.gz CIUPGKUQCCWUSW-UUWRZZSWSA-N 1 0 486.730 3.487 20 0 JGADRO CC(C)[NH+](CCn1c(Nc2ccn(C)n2)nnc1C1CCN(c2ncccn2)CC1)C(C)C ZINC001303296677 1067820437 /nfs/dbraw/zinc/82/04/37/1067820437.db2.gz DNXFNTRBKNKDHU-UHFFFAOYSA-N 1 0 452.611 3.048 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4ccccc4F)n3CCCCCO)CC2)CC1 ZINC001303297058 1067821423 /nfs/dbraw/zinc/82/14/23/1067821423.db2.gz HHGSTYQAMBHIET-UHFFFAOYSA-N 1 0 458.626 3.242 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1(c2ccccc2)CC1)C(C)C ZINC001303297312 1067821473 /nfs/dbraw/zinc/82/14/73/1067821473.db2.gz BBVDLWXACVWZTC-NRFANRHFSA-N 1 0 473.687 3.467 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N1CCSC2(CCOCC2)C1)C(C)C ZINC001303297668 1067821641 /nfs/dbraw/zinc/82/16/41/1067821641.db2.gz UNAMWYCYOKEJID-UHFFFAOYSA-N 1 0 458.676 3.485 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001304743909 1067821753 /nfs/dbraw/zinc/82/17/53/1067821753.db2.gz QMFMSKHFFKWILL-SFTDATJTSA-N 1 0 469.609 3.415 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CC[S@](=O)C(C)(C)C)CC2)CC1 ZINC001303297752 1067821823 /nfs/dbraw/zinc/82/18/23/1067821823.db2.gz MNYAHEQGIQJWIY-YTTGMZPUSA-N 1 0 466.740 3.118 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304744217 1067822550 /nfs/dbraw/zinc/82/25/50/1067822550.db2.gz SLMNQJKAHYGQDE-OAQYLSRUSA-N 1 0 473.666 3.095 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001303298176 1067822582 /nfs/dbraw/zinc/82/25/82/1067822582.db2.gz PMPJYVCIWGMNKM-UHFFFAOYSA-N 1 0 494.427 3.060 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001303298215 1067822757 /nfs/dbraw/zinc/82/27/57/1067822757.db2.gz JKRNITADTNXDJO-RTWAWAEBSA-N 1 0 462.683 3.280 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001304744515 1067822741 /nfs/dbraw/zinc/82/27/41/1067822741.db2.gz WTXIJFLTHKJVFG-KNQAVFIVSA-N 1 0 455.582 3.054 20 0 JGADRO CC(C)[NH+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1cscn1)C(C)C ZINC001303299468 1067824043 /nfs/dbraw/zinc/82/40/43/1067824043.db2.gz ULGVEJWOODAQKY-UHFFFAOYSA-N 1 0 480.642 3.404 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1)C(C)C ZINC001303299747 1067824288 /nfs/dbraw/zinc/82/42/88/1067824288.db2.gz ZKWVGOAFUUYZTK-FQEVSTJZSA-N 1 0 459.614 3.152 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](COc2ccccc2)C1)C(C)C ZINC001303299708 1067824564 /nfs/dbraw/zinc/82/45/64/1067824564.db2.gz YMJJPDWFYMUKEA-IRLDBZIGSA-N 1 0 454.619 3.253 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCOC3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001303301128 1067824777 /nfs/dbraw/zinc/82/47/77/1067824777.db2.gz AUBQNQHPZKANCF-SFHVURJKSA-N 1 0 459.557 3.186 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)n2CCC(C)C)n1 ZINC001304745552 1067824946 /nfs/dbraw/zinc/82/49/46/1067824946.db2.gz NAVZKXPHYVFQOS-XUZZJYLKSA-N 1 0 467.666 3.439 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001303301267 1067825166 /nfs/dbraw/zinc/82/51/66/1067825166.db2.gz FJQXESJTXXBPCC-UHFFFAOYSA-N 1 0 452.047 3.125 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cc(Cl)ccn2)CC1 ZINC001303301219 1067825341 /nfs/dbraw/zinc/82/53/41/1067825341.db2.gz CWTNZGOGOYVGQS-SFHVURJKSA-N 1 0 463.026 3.092 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Br)s3)nnc2N2CCC(CO)CC2)CC1 ZINC001303301459 1067825664 /nfs/dbraw/zinc/82/56/64/1067825664.db2.gz IBDQFFGTOKIDFH-UHFFFAOYSA-N 1 0 498.491 3.213 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304747361 1067826782 /nfs/dbraw/zinc/82/67/82/1067826782.db2.gz AFUXXVDCYVCXLD-UNMCSNQZSA-N 1 0 484.693 3.001 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC3CCCC3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001303302063 1067826659 /nfs/dbraw/zinc/82/66/59/1067826659.db2.gz AIKIBOYSEZZKDU-UHFFFAOYSA-N 1 0 463.667 3.081 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc4cccnc43)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001303302502 1067827116 /nfs/dbraw/zinc/82/71/16/1067827116.db2.gz KEUWVWLKHVHWEM-FQEVSTJZSA-N 1 0 484.670 3.485 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001304747696 1067827208 /nfs/dbraw/zinc/82/72/08/1067827208.db2.gz DORMNLUUQSIHDO-HSZRJFAPSA-N 1 0 497.610 3.401 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001303303289 1067828593 /nfs/dbraw/zinc/82/85/93/1067828593.db2.gz UHJQCNNOVOXYTO-SFHVURJKSA-N 1 0 493.027 3.153 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001303303227 1067828741 /nfs/dbraw/zinc/82/87/41/1067828741.db2.gz DRXWOAQKGHFAGB-FGZHOGPDSA-N 1 0 460.667 3.335 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCOC(C)(C)C2)CC1 ZINC001303303254 1067828805 /nfs/dbraw/zinc/82/88/05/1067828805.db2.gz SVMNQLXLXYCQFJ-WOJBJXKFSA-N 1 0 463.667 3.047 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001303303457 1067829179 /nfs/dbraw/zinc/82/91/79/1067829179.db2.gz WBTDIYVBARNOCQ-IBGZPJMESA-N 1 0 466.552 3.278 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001303303855 1067829709 /nfs/dbraw/zinc/82/97/09/1067829709.db2.gz AHWBFNPPSBSPPV-GBESFXJTSA-N 1 0 458.573 3.323 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)n1 ZINC001304750438 1067830274 /nfs/dbraw/zinc/83/02/74/1067830274.db2.gz PXSIGQFSBUBXHU-IBGZPJMESA-N 1 0 455.607 3.429 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(N)=O)CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)n1 ZINC001304750340 1067830538 /nfs/dbraw/zinc/83/05/38/1067830538.db2.gz CKBKZANFPTZJDP-OAQYLSRUSA-N 1 0 492.672 3.361 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001303304112 1067830555 /nfs/dbraw/zinc/83/05/55/1067830555.db2.gz CFPYRRQUSWKWHS-AZUAARDMSA-N 1 0 496.077 3.254 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001303303999 1067830594 /nfs/dbraw/zinc/83/05/94/1067830594.db2.gz BVPLKAARYOMQOR-XMMPIXPASA-N 1 0 477.053 3.189 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccs2)CC1 ZINC001303305111 1067832963 /nfs/dbraw/zinc/83/29/63/1067832963.db2.gz MURGKIKSXJFXAA-UHFFFAOYSA-N 1 0 450.410 3.461 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303305519 1067833721 /nfs/dbraw/zinc/83/37/21/1067833721.db2.gz UJCSTQUNUWYWRH-IBGZPJMESA-N 1 0 495.594 3.299 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncc(F)cn3)CC2)C1 ZINC001303305800 1067834190 /nfs/dbraw/zinc/83/41/90/1067834190.db2.gz WFBSWUWGELNZNW-LJQANCHMSA-N 1 0 458.630 3.243 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001303305944 1067834478 /nfs/dbraw/zinc/83/44/78/1067834478.db2.gz WZLDPPNSKQIMDQ-FQEVSTJZSA-N 1 0 455.651 3.099 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304753878 1067835041 /nfs/dbraw/zinc/83/50/41/1067835041.db2.gz LWCCCQNBASRYGU-LPHOPBHVSA-N 1 0 483.583 3.154 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304753880 1067835105 /nfs/dbraw/zinc/83/51/05/1067835105.db2.gz LWCCCQNBASRYGU-QFBILLFUSA-N 1 0 483.583 3.154 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(OCc4ccccc4F)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304754558 1067836606 /nfs/dbraw/zinc/83/66/06/1067836606.db2.gz SOQFFSTZVZEURN-HXUWFJFHSA-N 1 0 469.609 3.415 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304755631 1067838345 /nfs/dbraw/zinc/83/83/45/1067838345.db2.gz DXSHAMPVKOVLMI-NRFANRHFSA-N 1 0 488.681 3.221 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2C[C@](C)(O)C(C)C)n1 ZINC001304755616 1067838527 /nfs/dbraw/zinc/83/85/27/1067838527.db2.gz DOVJJUIBMAGGGA-BVAGGSTKSA-N 1 0 471.694 3.495 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2C[C@](C)(O)C(C)C)n1 ZINC001304755618 1067838542 /nfs/dbraw/zinc/83/85/42/1067838542.db2.gz DOVJJUIBMAGGGA-OZXSUGGESA-N 1 0 471.694 3.495 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H](c2ccco2)[NH+](C)C)n1 ZINC001304755798 1067838935 /nfs/dbraw/zinc/83/89/35/1067838935.db2.gz GJQIYEGMOOAKGC-FGZHOGPDSA-N 1 0 496.660 3.024 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2CCCO2)CC1 ZINC001303310762 1067839009 /nfs/dbraw/zinc/83/90/09/1067839009.db2.gz LFYYPNBGYWMYDL-ZCNNSNEGSA-N 1 0 462.639 3.148 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2cc(Cl)cn2)CC1 ZINC001303311147 1067839955 /nfs/dbraw/zinc/83/99/55/1067839955.db2.gz RWTXPKKOZUXZAG-UHFFFAOYSA-N 1 0 467.803 3.116 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001304756291 1067840150 /nfs/dbraw/zinc/84/01/50/1067840150.db2.gz LWGYVQXSIBISFT-TZIWHRDSSA-N 1 0 486.665 3.118 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCn2cnnn2)CC1 ZINC001303311448 1067840461 /nfs/dbraw/zinc/84/04/61/1067840461.db2.gz XZCZRXJOMBTNQF-UHFFFAOYSA-N 1 0 481.649 3.152 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC2([NH+](C)C)CCCC2)n1 ZINC001304756643 1067840896 /nfs/dbraw/zinc/84/08/96/1067840896.db2.gz SJESIPLCNVGROL-NRFANRHFSA-N 1 0 484.693 3.145 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC(=O)N2CCOCC2)CC1 ZINC001303312046 1067841638 /nfs/dbraw/zinc/84/16/38/1067841638.db2.gz WFINXPOVOPDYJM-UHFFFAOYSA-N 1 0 481.428 3.031 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCNC(=O)OC(C)(C)C)n1 ZINC001304757975 1067841883 /nfs/dbraw/zinc/84/18/83/1067841883.db2.gz BEYVQTFHTPVFMM-UHFFFAOYSA-N 1 0 488.681 3.365 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001304758535 1067843294 /nfs/dbraw/zinc/84/32/94/1067843294.db2.gz GFKQTTPSFIQTFF-NRFANRHFSA-N 1 0 496.626 3.335 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CCOc3cccc(F)c3)C2)CC1 ZINC001303316479 1067843767 /nfs/dbraw/zinc/84/37/67/1067843767.db2.gz ACSSGQZGOXNKPO-OAQYLSRUSA-N 1 0 458.626 3.398 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001303316558 1067843974 /nfs/dbraw/zinc/84/39/74/1067843974.db2.gz DUWZMNVKZWJVJK-HXUWFJFHSA-N 1 0 472.634 3.343 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC=CCC2)CC1 ZINC001303316739 1067844251 /nfs/dbraw/zinc/84/42/51/1067844251.db2.gz CABKHOAOCWKABS-LEWJYISDSA-N 1 0 474.650 3.473 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)c3ccc(F)cc3)C2)CC1 ZINC001303316788 1067844259 /nfs/dbraw/zinc/84/42/59/1067844259.db2.gz IXUWMAYZGDGSOW-GJZUVCINSA-N 1 0 472.653 3.227 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN(C)CC(F)(F)F)CC1 ZINC001303316784 1067844263 /nfs/dbraw/zinc/84/42/63/1067844263.db2.gz IWKOMHQBNXLUJA-QZTJIDSGSA-N 1 0 460.589 3.221 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCCOC2CCOCC2)CC1 ZINC001303316813 1067844268 /nfs/dbraw/zinc/84/42/68/1067844268.db2.gz JYKREQFLDAITMC-UHFFFAOYSA-N 1 0 461.582 3.112 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc[nH]4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303317007 1067844708 /nfs/dbraw/zinc/84/47/08/1067844708.db2.gz MKRAIGRHFRXPAF-KRWDZBQOSA-N 1 0 453.557 3.466 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001303316921 1067844739 /nfs/dbraw/zinc/84/47/39/1067844739.db2.gz FZLOMDZKUPEYJF-UHFFFAOYSA-N 1 0 456.532 3.423 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(-c4ccccn4)n3CCCOCC(F)F)CC2)CC1 ZINC001303317126 1067845244 /nfs/dbraw/zinc/84/52/44/1067845244.db2.gz QVIHRNAUVINSCB-UHFFFAOYSA-N 1 0 477.604 3.007 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303317118 1067845324 /nfs/dbraw/zinc/84/53/24/1067845324.db2.gz QKWCYQICACDZDX-QHCPKHFHSA-N 1 0 497.688 3.465 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC[C@H]2CCOC2)CC1 ZINC001303317080 1067845488 /nfs/dbraw/zinc/84/54/88/1067845488.db2.gz PFEUICRQCHSEOW-YPAWHYETSA-N 1 0 463.667 3.170 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC001303317632 1067846354 /nfs/dbraw/zinc/84/63/54/1067846354.db2.gz RNMZXSSOFYKLTD-XMMPIXPASA-N 1 0 455.006 3.355 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccs2)CC1 ZINC001303317434 1067846637 /nfs/dbraw/zinc/84/66/37/1067846637.db2.gz NOGIYPYVYAQTEB-LJQANCHMSA-N 1 0 476.647 3.227 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(c4ccc(O)cc4)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304760831 1067847300 /nfs/dbraw/zinc/84/73/00/1067847300.db2.gz SGGMTXFXKIALBJ-UHFFFAOYSA-N 1 0 480.661 3.291 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304761277 1067848078 /nfs/dbraw/zinc/84/80/78/1067848078.db2.gz YYPXFHVYMFRALM-FQEVSTJZSA-N 1 0 499.063 3.096 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2CCc2csc(C(C)C)n2)n1 ZINC001304761561 1067848499 /nfs/dbraw/zinc/84/84/99/1067848499.db2.gz ZEJGXMVDGUWJEP-UHFFFAOYSA-N 1 0 456.664 3.493 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(-c4ccccn4)n3CC(C)(C)C(F)(F)F)CC2)C1 ZINC001303318213 1067848589 /nfs/dbraw/zinc/84/85/89/1067848589.db2.gz KZGZDXIBBWMIFF-LJQANCHMSA-N 1 0 495.594 3.160 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCSC3(C)C)CC2)C1 ZINC001303318155 1067848661 /nfs/dbraw/zinc/84/86/61/1067848661.db2.gz JHOBPTSDGHTJGJ-LEWJYISDSA-N 1 0 478.751 3.339 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCOc2ncccc2Cl)n1 ZINC001304761580 1067848748 /nfs/dbraw/zinc/84/87/48/1067848748.db2.gz ZRDLUCKKJKUPSF-UHFFFAOYSA-N 1 0 473.025 3.188 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2cc(COC(C)(C)C)on2)n1 ZINC001304761592 1067848927 /nfs/dbraw/zinc/84/89/27/1067848927.db2.gz ZWIAIAFUTSJMGW-UHFFFAOYSA-N 1 0 470.622 3.022 20 0 JGADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C(F)(F)F)CC2)C1 ZINC001303318222 1067849242 /nfs/dbraw/zinc/84/92/42/1067849242.db2.gz LKYNQZCIMQNVHR-FQEVSTJZSA-N 1 0 495.594 3.160 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001304762534 1067849517 /nfs/dbraw/zinc/84/95/17/1067849517.db2.gz JWLQNQOJJDRYJE-FQEVSTJZSA-N 1 0 495.525 3.178 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC001303318684 1067850739 /nfs/dbraw/zinc/85/07/39/1067850739.db2.gz YIYMBSLRDANRGO-LEWJYISDSA-N 1 0 499.670 3.356 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001304763034 1067851069 /nfs/dbraw/zinc/85/10/69/1067851069.db2.gz NPGVQTJFRYBEJN-IRLDBZIGSA-N 1 0 451.619 3.446 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001303323699 1067852444 /nfs/dbraw/zinc/85/24/44/1067852444.db2.gz HRORPHLGKRFZRS-MRXNPFEDSA-N 1 0 464.561 3.003 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(Cc4nc(C)c(C)o4)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304764308 1067853035 /nfs/dbraw/zinc/85/30/35/1067853035.db2.gz NRABWQJKIYNHHM-UHFFFAOYSA-N 1 0 497.692 3.186 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCS[C@@H](C)[C@H]3C)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001304764970 1067854541 /nfs/dbraw/zinc/85/45/41/1067854541.db2.gz WTGNASGIPPRMFQ-RTWAWAEBSA-N 1 0 483.686 3.459 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001304765381 1067855395 /nfs/dbraw/zinc/85/53/95/1067855395.db2.gz UUUBJXKFGLJUSE-NSISKUIASA-N 1 0 483.583 3.011 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001303326671 1067855643 /nfs/dbraw/zinc/85/56/43/1067855643.db2.gz DFSAGWVXQWFKDF-JTHBVZDNSA-N 1 0 468.646 3.068 20 0 JGADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3([NH+](C)C)CCC[C@@H](C)C3)C2)n1 ZINC001304765879 1067855720 /nfs/dbraw/zinc/85/57/20/1067855720.db2.gz HNZKPSAUWINSCH-KCVHQNEMSA-N 1 0 499.708 3.052 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CCCC(F)(F)F ZINC001303328691 1067856683 /nfs/dbraw/zinc/85/66/83/1067856683.db2.gz PDSCLDFZPQQGQB-GOSISDBHSA-N 1 0 452.525 3.470 20 0 JGADRO Cc1cc(C)n(CC2CCN(c3nnc(-c4cnccn4)n3CCC[N@@H+](C)C(C)C)CC2)n1 ZINC001304766509 1067856839 /nfs/dbraw/zinc/85/68/39/1067856839.db2.gz CULUIUAGJHLFLA-UHFFFAOYSA-N 1 0 451.623 3.195 20 0 JGADRO 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CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001303399278 1067927538 /nfs/dbraw/zinc/92/75/38/1067927538.db2.gz YESZVCYSGJCNNQ-LJQANCHMSA-N 1 0 479.670 3.029 20 0 JGADRO Cc1noc(C)c1CN(C)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304885386 1067929370 /nfs/dbraw/zinc/92/93/70/1067929370.db2.gz WTSKRPFOHGPVCO-UHFFFAOYSA-N 1 0 470.593 3.485 20 0 JGADRO Cc1noc(C)c1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+](C)C ZINC001304885743 1067929674 /nfs/dbraw/zinc/92/96/74/1067929674.db2.gz AKDYRHIAADPVQF-JCGIZDLHSA-N 1 0 461.611 3.240 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303404009 1067932935 /nfs/dbraw/zinc/93/29/35/1067932935.db2.gz MCIIULPLSUIJNH-FQEVSTJZSA-N 1 0 471.625 3.147 20 0 JGADRO Cc1noc(C2(C)CCN(c3nnc(Cc4ccccn4)n3CCC[N@@H+](C)C(C)C)CC2)n1 ZINC001304889788 1067933732 /nfs/dbraw/zinc/93/37/32/1067933732.db2.gz IXCVUHQMMNUEGO-UHFFFAOYSA-N 1 0 452.607 3.244 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cccnc1OCC(F)F ZINC001303409730 1067936613 /nfs/dbraw/zinc/93/66/13/1067936613.db2.gz KCMGCUBMEWDURD-UHFFFAOYSA-N 1 0 493.603 3.062 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303413366 1067939431 /nfs/dbraw/zinc/93/94/31/1067939431.db2.gz CFQOMEIUESODNS-AREMUKBSSA-N 1 0 468.646 3.290 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1CC[N@H+](C)C(C)C ZINC001303414426 1067941188 /nfs/dbraw/zinc/94/11/88/1067941188.db2.gz KQWBNYBYWJDKAR-LJQANCHMSA-N 1 0 493.450 3.097 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001303414919 1067942230 /nfs/dbraw/zinc/94/22/30/1067942230.db2.gz RFUHXKQUQIRBPA-UXHICEINSA-N 1 0 479.000 3.127 20 0 JGADRO Cc1cc(CN2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)CC2)on1 ZINC001304900688 1067944047 /nfs/dbraw/zinc/94/40/47/1067944047.db2.gz STDNZJAGTLOCRV-UHFFFAOYSA-N 1 0 469.609 3.465 20 0 JGADRO CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001303419990 1067945872 /nfs/dbraw/zinc/94/58/72/1067945872.db2.gz WHSDRTVRLVLTIS-VQIMIIECSA-N 1 0 464.536 3.109 20 0 JGADRO CC(C)NC(=O)c1nnc(Nc2ccn(C)n2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303421821 1067947632 /nfs/dbraw/zinc/94/76/32/1067947632.db2.gz YHJSBCBXZNOXKM-ICSRJNTNSA-N 1 0 450.591 3.194 20 0 JGADRO CC(C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001303423007 1067948214 /nfs/dbraw/zinc/94/82/14/1067948214.db2.gz JFENQBCIFXXCAY-UHFFFAOYSA-N 1 0 499.063 3.311 20 0 JGADRO CC(C)NC(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001303422962 1067948317 /nfs/dbraw/zinc/94/83/17/1067948317.db2.gz IAJXKWGLBBODPL-RTBURBONSA-N 1 0 458.582 3.146 20 0 JGADRO CC(C)NC(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303422804 1067948367 /nfs/dbraw/zinc/94/83/67/1067948367.db2.gz GMJLQGPKNXIHFY-UHFFFAOYSA-N 1 0 464.618 3.170 20 0 JGADRO CC(C)NC(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001303423580 1067948617 /nfs/dbraw/zinc/94/86/17/1067948617.db2.gz OAILRSRYFSXQRX-SFHVURJKSA-N 1 0 458.582 3.004 20 0 JGADRO CC(C)NC(=O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001303425446 1067950166 /nfs/dbraw/zinc/95/01/66/1067950166.db2.gz NHJNEMWRBUYQGE-KRWDZBQOSA-N 1 0 493.425 3.436 20 0 JGADRO CC(C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001303425415 1067950249 /nfs/dbraw/zinc/95/02/49/1067950249.db2.gz LZVLGFRMJHOPMJ-UHFFFAOYSA-N 1 0 463.026 3.060 20 0 JGADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001304906897 1067950643 /nfs/dbraw/zinc/95/06/43/1067950643.db2.gz HYYNJIIEMCFVOD-QFBILLFUSA-N 1 0 456.978 3.085 20 0 JGADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001304906898 1067950678 /nfs/dbraw/zinc/95/06/78/1067950678.db2.gz HYYNJIIEMCFVOD-VQIMIIECSA-N 1 0 456.978 3.085 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001304909311 1067952587 /nfs/dbraw/zinc/95/25/87/1067952587.db2.gz DCMQWMXYBZVGHW-KCZVDYSFSA-N 1 0 474.694 3.281 20 0 JGADRO CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304909444 1067952994 /nfs/dbraw/zinc/95/29/94/1067952994.db2.gz DZIKGJDIOIBSFD-OALUTQOASA-N 1 0 468.712 3.018 20 0 JGADRO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304912363 1067956150 /nfs/dbraw/zinc/95/61/50/1067956150.db2.gz OQPLERRFLHVNGF-QHAWAJNXSA-N 1 0 487.737 3.121 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304912517 1067956422 /nfs/dbraw/zinc/95/64/22/1067956422.db2.gz QFWYCBRBKCJNNZ-NJDAHSKKSA-N 1 0 484.693 3.290 20 0 JGADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912918 1067956803 /nfs/dbraw/zinc/95/68/03/1067956803.db2.gz 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ZINC001304925164 1067968153 /nfs/dbraw/zinc/96/81/53/1067968153.db2.gz LXLJXYFAKPVJSV-NJYVYQBISA-N 1 0 476.691 3.055 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304925746 1067969134 /nfs/dbraw/zinc/96/91/34/1067969134.db2.gz DUNYLDNIWWQOJX-WOJBJXKFSA-N 1 0 458.626 3.337 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304926494 1067969972 /nfs/dbraw/zinc/96/99/72/1067969972.db2.gz RKEJYWMOXICEAK-ZACQAIPSSA-N 1 0 492.466 3.105 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303448535 1067970263 /nfs/dbraw/zinc/97/02/63/1067970263.db2.gz URVFMXUMXYEQGB-UHFFFAOYSA-N 1 0 463.424 3.153 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001303448816 1067970568 /nfs/dbraw/zinc/97/05/68/1067970568.db2.gz ZMYYXPVFGCQQDP-FQEVSTJZSA-N 1 0 468.005 3.229 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2nccs2)C1 ZINC001304926555 1067970739 /nfs/dbraw/zinc/97/07/39/1067970739.db2.gz SFEICJSWIQHFQA-KDURUIRLSA-N 1 0 482.658 3.429 20 0 JGADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001304926732 1067971175 /nfs/dbraw/zinc/97/11/75/1067971175.db2.gz HCTNYRBWUVZRDT-NCXUSEDFSA-N 1 0 470.584 3.403 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926861 1067971724 /nfs/dbraw/zinc/97/17/24/1067971724.db2.gz UIVVOHIJNQBRLK-OYRHEFFESA-N 1 0 487.718 3.168 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304926868 1067971837 /nfs/dbraw/zinc/97/18/37/1067971837.db2.gz RSKRSKZFCGPMRS-SFHLNBCPSA-N 1 0 479.716 3.312 20 0 JGADRO C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927078 1067972367 /nfs/dbraw/zinc/97/23/67/1067972367.db2.gz INOQGNHSYFNFKG-IYWMVGAKSA-N 1 0 463.648 3.339 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001304927225 1067972915 /nfs/dbraw/zinc/97/29/15/1067972915.db2.gz VVHUNTAQEVDPJT-CWBXHPNXSA-N 1 0 469.678 3.254 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001304927402 1067973324 /nfs/dbraw/zinc/97/33/24/1067973324.db2.gz IYSIPOZKIMSPDF-GOTSBHOMSA-N 1 0 481.689 3.327 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304927801 1067974230 /nfs/dbraw/zinc/97/42/30/1067974230.db2.gz WPSFALOVBVWPLQ-ZVDOUQERSA-N 1 0 458.676 3.390 20 0 JGADRO C[C@@H]1C[C@@H](C)CN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927769 1067974258 /nfs/dbraw/zinc/97/42/58/1067974258.db2.gz SEKVFLMKHRZRQI-WTGUMLROSA-N 1 0 474.675 3.251 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304927997 1067974777 /nfs/dbraw/zinc/97/47/77/1067974777.db2.gz LHRUGRJFBDNOEZ-NHCUHLMSSA-N 1 0 475.641 3.367 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928139 1067975126 /nfs/dbraw/zinc/97/51/26/1067975126.db2.gz SVJMDJWUODVLQE-CIAFKFPVSA-N 1 0 460.667 3.322 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCSC3(CCOCC3)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304928117 1067975348 /nfs/dbraw/zinc/97/53/48/1067975348.db2.gz SLAUBTCWSWWKLM-SFTDATJTSA-N 1 0 492.734 3.277 20 0 JGADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001304928745 1067976542 /nfs/dbraw/zinc/97/65/42/1067976542.db2.gz QOSMOYFIOQQOIO-AKFKNWHVSA-N 1 0 481.689 3.373 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304929060 1067976981 /nfs/dbraw/zinc/97/69/81/1067976981.db2.gz YUZWKMDACXKCSW-AQNXPRMDSA-N 1 0 484.645 3.175 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001304929488 1067977417 /nfs/dbraw/zinc/97/74/17/1067977417.db2.gz WRAVSTUNNZYKPS-HBMCJLEFSA-N 1 0 482.739 3.051 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(N3CCN(C(=O)c4ccccn4)CC3)nnc2C(C)(C)C)C1 ZINC001304929734 1067978385 /nfs/dbraw/zinc/97/83/85/1067978385.db2.gz YTXDRSWBGVKLNK-OYRHEFFESA-N 1 0 467.662 3.301 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001303462754 1067982249 /nfs/dbraw/zinc/98/22/49/1067982249.db2.gz JHNCAYNUMAYBHF-REWPJTCUSA-N 1 0 489.686 3.377 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001303463815 1067983086 /nfs/dbraw/zinc/98/30/86/1067983086.db2.gz ZJZCDUBJGYUWMP-UUOWRZLLSA-N 1 0 461.582 3.330 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccn3C)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001303464519 1067983479 /nfs/dbraw/zinc/98/34/79/1067983479.db2.gz KGXVRXCOZJPPMY-UHFFFAOYSA-N 1 0 462.524 3.302 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001303464375 1067983486 /nfs/dbraw/zinc/98/34/86/1067983486.db2.gz AWXTVMQNWHTHFQ-QGZVFWFLSA-N 1 0 468.524 3.133 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001304934482 1067983554 /nfs/dbraw/zinc/98/35/54/1067983554.db2.gz PNLJOPNOLYUJMH-NHCUHLMSSA-N 1 0 460.667 3.035 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001304934481 1067983562 /nfs/dbraw/zinc/98/35/62/1067983562.db2.gz PNLJOPNOLYUJMH-LEWJYISDSA-N 1 0 460.667 3.035 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 ZINC001303465903 1067985259 /nfs/dbraw/zinc/98/52/59/1067985259.db2.gz VQVNGARRAKIQFF-CYBMUJFWSA-N 1 0 475.947 3.203 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303466406 1067985555 /nfs/dbraw/zinc/98/55/55/1067985555.db2.gz ZMDYKKBZUNIXFR-QFIPXVFZSA-N 1 0 468.646 3.083 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001303466567 1067985749 /nfs/dbraw/zinc/98/57/49/1067985749.db2.gz RSJYDVOPXPXZNP-IBGZPJMESA-N 1 0 456.626 3.190 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001303466923 1067985756 /nfs/dbraw/zinc/98/57/56/1067985756.db2.gz VDGJDIFTRRSOEO-HXUWFJFHSA-N 1 0 482.645 3.253 20 0 JGADRO C[C@@H]1C[C@@H](CCn2c(C3CC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC001304938043 1067986986 /nfs/dbraw/zinc/98/69/86/1067986986.db2.gz LMJFCAFMCQQBFD-MSOLQXFVSA-N 1 0 459.557 3.452 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)(F)F)CC1 ZINC001303468007 1067987128 /nfs/dbraw/zinc/98/71/28/1067987128.db2.gz PQCHYHULMCQTGG-GOSISDBHSA-N 1 0 468.524 3.481 20 0 JGADRO C[C@@H]1C[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CC[NH+](CCn3cccn3)CC2)CCO1 ZINC001304939627 1067988741 /nfs/dbraw/zinc/98/87/41/1067988741.db2.gz AICLKAHHVWPVJK-NHCUHLMSSA-N 1 0 457.667 3.479 20 0 JGADRO C[C@H]1C[C@@H](Cn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)CC(F)(F)F)CCO1 ZINC001304941698 1067992333 /nfs/dbraw/zinc/99/23/33/1067992333.db2.gz LGVWUYODHBJPNE-PMACEKPBSA-N 1 0 480.579 3.456 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccc([S@](C)=O)cc3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001303473504 1067992410 /nfs/dbraw/zinc/99/24/10/1067992410.db2.gz ACFDVLQGEPZRAT-GDHSSQGQSA-N 1 0 477.675 3.204 20 0 JGADRO C[C@H]1C[C@H](CCn2c(CC(C)(C)C)nnc2N2CCN(C)C(=O)C2)C[N@@H+]1Cc1ccccc1 ZINC001304942651 1067993765 /nfs/dbraw/zinc/99/37/65/1067993765.db2.gz YKFBRPLAVXWEAL-UNMCSNQZSA-N 1 0 452.647 3.446 20 0 JGADRO C[C@H]1C[C@@H](CCn2c(CC(C)(C)C)nnc2N2CCN(C)C(=O)C2)C[N@@H+]1Cc1ccccc1 ZINC001304942650 1067993876 /nfs/dbraw/zinc/99/38/76/1067993876.db2.gz YKFBRPLAVXWEAL-RBBKRZOGSA-N 1 0 452.647 3.446 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCOC1 ZINC001303480223 1067999921 /nfs/dbraw/zinc/99/99/21/1067999921.db2.gz ARSZQNUZTFYVLE-HOYKHHGWSA-N 1 0 494.084 3.462 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001304954095 1068001792 /nfs/dbraw/zinc/00/17/92/1068001792.db2.gz UAWUWFDBNPSPJD-XSDIEEQYSA-N 1 0 476.666 3.394 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001304957277 1068002948 /nfs/dbraw/zinc/00/29/48/1068002948.db2.gz DIXVSTISKULZCQ-AQNXPRMDSA-N 1 0 488.702 3.350 20 0 JGADRO C[C@@H]1C[C@@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001304961860 1068005671 /nfs/dbraw/zinc/00/56/71/1068005671.db2.gz POBQPSOYBKCRJM-QYZOEREBSA-N 1 0 462.639 3.478 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)CC3CCCCC3)n2CC2([NH+](C)C)CCOCC2)CCOC1 ZINC001303483652 1068006714 /nfs/dbraw/zinc/00/67/14/1068006714.db2.gz LEQLSEGFYINMET-VWLOTQADSA-N 1 0 463.667 3.446 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)CCc3ccccc3F)n2CC[N@H+]2CC=CCC2)CCOC1 ZINC001303486654 1068008728 /nfs/dbraw/zinc/00/87/28/1068008728.db2.gz AFUUMVGROJFOGO-RUZDIDTESA-N 1 0 457.594 3.399 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001304968496 1068009048 /nfs/dbraw/zinc/00/90/48/1068009048.db2.gz DPJXEXOAMLVTBR-TVRKMHQQSA-N 1 0 480.704 3.023 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCC(C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001304971640 1068011898 /nfs/dbraw/zinc/01/18/98/1068011898.db2.gz ZHOGLQDVARJBEN-JWHDQAAXSA-N 1 0 454.685 3.024 20 0 JGADRO CC1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001304975170 1068014666 /nfs/dbraw/zinc/01/46/66/1068014666.db2.gz NSWSCSUBCJAZEN-IOJLRTSASA-N 1 0 451.681 3.460 20 0 JGADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)O)CC1 ZINC001304977070 1068015972 /nfs/dbraw/zinc/01/59/72/1068015972.db2.gz PPEUYNMAFWRKHN-KDURUIRLSA-N 1 0 461.054 3.364 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@H+]2CC=CCC2)CCOC1 ZINC001303491012 1068016176 /nfs/dbraw/zinc/01/61/76/1068016176.db2.gz XPDMTODWVGIGON-OAQYLSRUSA-N 1 0 457.541 3.359 20 0 JGADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccccc2F)CC1 ZINC001304977343 1068016398 /nfs/dbraw/zinc/01/63/98/1068016398.db2.gz RPDROAOBOUYYAI-OYRHEFFESA-N 1 0 499.679 3.140 20 0 JGADRO C[C@@H](C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(I)cc1 ZINC001303491634 1068016804 /nfs/dbraw/zinc/01/68/04/1068016804.db2.gz BHJDLXVLEFRNSC-AYBZRNKSSA-N 1 0 456.368 3.402 20 0 JGADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(C3CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001304978222 1068016925 /nfs/dbraw/zinc/01/69/25/1068016925.db2.gz VVBDBIUPJPIJSX-SFTDATJTSA-N 1 0 489.709 3.407 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC(C)(C)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303493291 1068018663 /nfs/dbraw/zinc/01/86/63/1068018663.db2.gz GWXVBMWQQHTPPG-BWKNWUBXSA-N 1 0 463.667 3.446 20 0 JGADRO COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC001303493670 1068019228 /nfs/dbraw/zinc/01/92/28/1068019228.db2.gz OBLWFDWOVQLDBM-BVSLBCMMSA-N 1 0 461.603 3.268 20 0 JGADRO CC1CCC([NH+]2CCN(c3nnc([C@H]4CCCCO4)n3CCSCCCO)CC2)CC1 ZINC001304980675 1068020285 /nfs/dbraw/zinc/02/02/85/1068020285.db2.gz QLVCUSWFNZXRMJ-XVAXZDLZSA-N 1 0 451.681 3.336 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001304981064 1068020717 /nfs/dbraw/zinc/02/07/17/1068020717.db2.gz YCHFELZIDQAYJH-CBNMVNINSA-N 1 0 468.637 3.458 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC(CCCO)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001303495931 1068022013 /nfs/dbraw/zinc/02/20/13/1068022013.db2.gz SEPXPBMRIYVYBF-JYFHCDHNSA-N 1 0 477.694 3.428 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC001304981777 1068022504 /nfs/dbraw/zinc/02/25/04/1068022504.db2.gz AZCAVKNZZBNLHH-WZONZLPQSA-N 1 0 495.093 3.191 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304982209 1068023756 /nfs/dbraw/zinc/02/37/56/1068023756.db2.gz FCBKGBISFICNLY-JSRBVGTNSA-N 1 0 486.636 3.164 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001304982458 1068023784 /nfs/dbraw/zinc/02/37/84/1068023784.db2.gz APGXOKREIDFAFD-JXALWOEJSA-N 1 0 482.739 3.143 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001304982788 1068024384 /nfs/dbraw/zinc/02/43/84/1068024384.db2.gz CCVLRRSFNDRUTP-JLRUASKGSA-N 1 0 494.750 3.287 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(CC3CCCC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001304982791 1068024396 /nfs/dbraw/zinc/02/43/96/1068024396.db2.gz CCVLRRSFNDRUTP-QFZWGZQFSA-N 1 0 494.750 3.287 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCS(C)(=O)=O)CC1 ZINC001304983075 1068024932 /nfs/dbraw/zinc/02/49/32/1068024932.db2.gz IFTYUPLYAXWMSI-KRWDZBQOSA-N 1 0 465.689 3.097 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C)[C@H](C)C2)([NH+](C)C)C1 ZINC001304983753 1068025904 /nfs/dbraw/zinc/02/59/04/1068025904.db2.gz FMBFLDCNZYIYFV-ZNOYZCKDSA-N 1 0 451.681 3.173 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304983812 1068026018 /nfs/dbraw/zinc/02/60/18/1068026018.db2.gz 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ZINC001305024240 1068077920 /nfs/dbraw/zinc/07/79/20/1068077920.db2.gz XEEBFCKTVPBCET-HXUWFJFHSA-N 1 0 460.667 3.466 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024378 1068078211 /nfs/dbraw/zinc/07/82/11/1068078211.db2.gz LALNRHVKUJTQHN-QHAWAJNXSA-N 1 0 489.686 3.332 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305024558 1068078873 /nfs/dbraw/zinc/07/88/73/1068078873.db2.gz ZOVMFCLBIUUALT-FUHWJXTLSA-N 1 0 481.066 3.127 20 0 JGADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC=CCC2)C1 ZINC001305024564 1068078999 /nfs/dbraw/zinc/07/89/99/1068078999.db2.gz ZRNRCHGZOFHJRG-HXUWFJFHSA-N 1 0 486.686 3.472 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305024560 1068079107 /nfs/dbraw/zinc/07/91/07/1068079107.db2.gz ZOVMFCLBIUUALT-WMZOPIPTSA-N 1 0 481.066 3.127 20 0 JGADRO 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464.655 3.252 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305027008 1068083657 /nfs/dbraw/zinc/08/36/57/1068083657.db2.gz YYORBEARICPQRP-QZTJIDSGSA-N 1 0 459.664 3.377 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028323 1068084322 /nfs/dbraw/zinc/08/43/22/1068084322.db2.gz YNYVRCGVPPVAHI-HBFSDRIKSA-N 1 0 458.582 3.004 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001305028296 1068084430 /nfs/dbraw/zinc/08/44/30/1068084430.db2.gz YCBHWTVMQLEUAT-VXKWHMMOSA-N 1 0 467.662 3.079 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028325 1068084795 /nfs/dbraw/zinc/08/47/95/1068084795.db2.gz YNYVRCGVPPVAHI-WSTZPKSXSA-N 1 0 458.582 3.004 20 0 JGADRO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028405 1068085070 /nfs/dbraw/zinc/08/50/70/1068085070.db2.gz FZFQJRNGGSMFNL-NHCUHLMSSA-N 1 0 452.647 3.276 20 0 JGADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028735 1068086339 /nfs/dbraw/zinc/08/63/39/1068086339.db2.gz JMRYPNDTIJRNKU-AQNXPRMDSA-N 1 0 493.649 3.130 20 0 JGADRO C[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001305028777 1068086896 /nfs/dbraw/zinc/08/68/96/1068086896.db2.gz KFRDWOMBUSBRPC-HXUWFJFHSA-N 1 0 454.619 3.129 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305030304 1068088330 /nfs/dbraw/zinc/08/83/30/1068088330.db2.gz VNZQFCKAQJYQSR-NMOFPLQQSA-N 1 0 463.667 3.300 20 0 JGADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2C[C@H]2C)CC1 ZINC001303566640 1068089153 /nfs/dbraw/zinc/08/91/53/1068089153.db2.gz FZESMWIBYSRLQB-HZPDHXFCSA-N 1 0 451.413 3.239 20 0 JGADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001303566639 1068089211 /nfs/dbraw/zinc/08/92/11/1068089211.db2.gz FZESMWIBYSRLQB-HOTGVXAUSA-N 1 0 451.413 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JGADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001305063821 1068134059 /nfs/dbraw/zinc/13/40/59/1068134059.db2.gz AZDPNCYCBZSXPI-OALUTQOASA-N 1 0 459.038 3.310 20 0 JGADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001305063986 1068134626 /nfs/dbraw/zinc/13/46/26/1068134626.db2.gz JSNAHHKETJYIKJ-RBUKOAKNSA-N 1 0 486.583 3.182 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001305064086 1068134648 /nfs/dbraw/zinc/13/46/48/1068134648.db2.gz CCDBEOHGQUBSAE-NQIIRXRSSA-N 1 0 480.078 3.266 20 0 JGADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC001305064647 1068135704 /nfs/dbraw/zinc/13/57/04/1068135704.db2.gz WDUGGQVIDIKZOR-QGZVFWFLSA-N 1 0 485.601 3.148 20 0 JGADRO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303604099 1068136331 /nfs/dbraw/zinc/13/63/31/1068136331.db2.gz XOQMPKUUJMBLBW-UYAOXDASSA-N 1 0 475.659 3.348 20 0 JGADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1)[NH+]1CCC(C)CC1 ZINC001305064939 1068136332 /nfs/dbraw/zinc/13/63/32/1068136332.db2.gz WRDTXBOAPQGLNY-VAMGGRTRSA-N 1 0 462.664 3.206 20 0 JGADRO CC(C)OC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001305064813 1068136393 /nfs/dbraw/zinc/13/63/93/1068136393.db2.gz GTIXUQGTEDOCHA-JTHBVZDNSA-N 1 0 456.635 3.015 20 0 JGADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303603885 1068136555 /nfs/dbraw/zinc/13/65/55/1068136555.db2.gz UNXAWNGHTZIYRW-ZUQCGGBESA-N 1 0 458.676 3.116 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCSCC1)[NH+]1CCC(C)CC1 ZINC001305065869 1068137489 /nfs/dbraw/zinc/13/74/89/1068137489.db2.gz LGWFDPMYOPWCPW-WOJBJXKFSA-N 1 0 494.706 3.260 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C)CC1 ZINC001305065923 1068137506 /nfs/dbraw/zinc/13/75/06/1068137506.db2.gz JNHLVCIMMYMSGT-CNNODRBYSA-N 1 0 490.674 3.095 20 0 JGADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)C1)[NH+]1CCC(C)CC1 ZINC001305065418 1068137519 /nfs/dbraw/zinc/13/75/19/1068137519.db2.gz ZVEYXHHGCFLFJC-ROUUACIJSA-N 1 0 461.010 3.128 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001305066353 1068138553 /nfs/dbraw/zinc/13/85/53/1068138553.db2.gz OFUMNQBIAFLQSY-QRVBRYPASA-N 1 0 486.583 3.145 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305067192 1068139681 /nfs/dbraw/zinc/13/96/81/1068139681.db2.gz QTVYPNZVYHUPSQ-IBGZPJMESA-N 1 0 465.568 3.069 20 0 JGADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(-c2ccccn2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303606731 1068141610 /nfs/dbraw/zinc/14/16/10/1068141610.db2.gz PPSBDQLDNQVPIV-RXFWQSSRSA-N 1 0 493.681 3.433 20 0 JGADRO C[C@@H](c1ccccc1)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303610625 1068145140 /nfs/dbraw/zinc/14/51/40/1068145140.db2.gz OEMMATUOWQATDC-FQEVSTJZSA-N 1 0 476.629 3.149 20 0 JGADRO C[C@H](c1ccccc1)N(C)c1nnc(-c2cnn(C)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303611286 1068145699 /nfs/dbraw/zinc/14/56/99/1068145699.db2.gz RONKATVMHMPJIG-HXUWFJFHSA-N 1 0 450.635 3.150 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CC[N@H+](C)C2)[C@H]1C ZINC001305072901 1068146870 /nfs/dbraw/zinc/14/68/70/1068146870.db2.gz VSOTZTUVKIDVRG-CKNLXJGOSA-N 1 0 452.372 3.148 20 0 JGADRO C[C@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303613253 1068147515 /nfs/dbraw/zinc/14/75/15/1068147515.db2.gz KOLSLBAANPUSRN-BVYCBKJFSA-N 1 0 472.609 3.409 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001305075065 1068149166 /nfs/dbraw/zinc/14/91/66/1068149166.db2.gz ARPGWNLKMLXGDU-RBUKOAKNSA-N 1 0 462.664 3.018 20 0 JGADRO C[C@@H](c1cccs1)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCOCC[NH+](C)C ZINC001303619537 1068151764 /nfs/dbraw/zinc/15/17/64/1068151764.db2.gz KUARXJOPEPUZGI-KRWDZBQOSA-N 1 0 481.626 3.029 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001305079284 1068152961 /nfs/dbraw/zinc/15/29/61/1068152961.db2.gz LMWYTRPYKAARBL-XLIONFOSSA-N 1 0 488.683 3.406 20 0 JGADRO C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001303620909 1068153017 /nfs/dbraw/zinc/15/30/17/1068153017.db2.gz KQERSNDABVPUOB-FPOVZHCZSA-N 1 0 471.627 3.493 20 0 JGADRO C[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001305079281 1068153063 /nfs/dbraw/zinc/15/30/63/1068153063.db2.gz LMWYTRPYKAARBL-FXAWDEMLSA-N 1 0 488.683 3.406 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001305084020 1068155986 /nfs/dbraw/zinc/15/59/86/1068155986.db2.gz UAZGKMMVCCJEQS-RBUKOAKNSA-N 1 0 461.680 3.451 20 0 JGADRO C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)[C@@H]1C ZINC001305096787 1068163857 /nfs/dbraw/zinc/16/38/57/1068163857.db2.gz UUKPMRARDVRKHC-JYBIWHBTSA-N 1 0 462.639 3.161 20 0 JGADRO C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001305101284 1068167845 /nfs/dbraw/zinc/16/78/45/1068167845.db2.gz KXZKKTVADWUIMF-OALUTQOASA-N 1 0 462.639 3.307 20 0 JGADRO CC1CC[NH+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001305102317 1068168466 /nfs/dbraw/zinc/16/84/66/1068168466.db2.gz PRQQKSKMVVBJIL-MOPGFXCFSA-N 1 0 491.624 3.471 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103141 1068169515 /nfs/dbraw/zinc/16/95/15/1068169515.db2.gz CMVPYQIRFGXLEI-UXHICEINSA-N 1 0 472.609 3.346 20 0 JGADRO CC(C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103340 1068170504 /nfs/dbraw/zinc/17/05/04/1068170504.db2.gz GGINXCRILYAQCZ-UHFFFAOYSA-N 1 0 458.573 3.418 20 0 JGADRO CC1CC[NH+](CCCCn2c(Cc3ccccc3F)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001305103490 1068171007 /nfs/dbraw/zinc/17/10/07/1068171007.db2.gz HUIFGTZZNVXHCO-VWLOTQADSA-N 1 0 456.610 3.222 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001305103514 1068171039 /nfs/dbraw/zinc/17/10/39/1068171039.db2.gz IHNPLWITYBUZOZ-KRWDZBQOSA-N 1 0 492.466 3.250 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001305104231 1068171962 /nfs/dbraw/zinc/17/19/62/1068171962.db2.gz CKPGIOAGXSWBEU-FQEVSTJZSA-N 1 0 489.686 3.474 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305104634 1068172558 /nfs/dbraw/zinc/17/25/58/1068172558.db2.gz ZIXDCQDEGICQNX-QPPBQGQZSA-N 1 0 478.707 3.337 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3noc4c3COCC4)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001305104757 1068172577 /nfs/dbraw/zinc/17/25/77/1068172577.db2.gz GFMLOIMTCLRZDZ-UHFFFAOYSA-N 1 0 460.623 3.379 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3cc(F)ccc3Br)nnc2N2CCNC(=O)CC2)CC1 ZINC001305107085 1068175660 /nfs/dbraw/zinc/17/56/60/1068175660.db2.gz XWXVHYZNHFBHBP-UHFFFAOYSA-N 1 0 493.425 3.295 20 0 JGADRO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1[nH]ncc1I ZINC001305107198 1068175715 /nfs/dbraw/zinc/17/57/15/1068175715.db2.gz IXSAEJWEFYQSNG-OWCLPIDISA-N 1 0 450.324 3.045 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001305107000 1068175742 /nfs/dbraw/zinc/17/57/42/1068175742.db2.gz MAGGGHTYHYZHCM-FPYOTAMTSA-N 1 0 474.675 3.083 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(c3ccsc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001305107039 1068175822 /nfs/dbraw/zinc/17/58/22/1068175822.db2.gz NABOTCAZGGZTPY-GOSISDBHSA-N 1 0 480.704 3.066 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3ccccc3Cl)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001305107130 1068175841 /nfs/dbraw/zinc/17/58/41/1068175841.db2.gz ZOICBGIUHIOKKP-UHFFFAOYSA-N 1 0 495.093 3.192 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001303648095 1068176171 /nfs/dbraw/zinc/17/61/71/1068176171.db2.gz GUWNMFPTDVEMKK-FXAWDEMLSA-N 1 0 478.626 3.195 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001303648098 1068176272 /nfs/dbraw/zinc/17/62/72/1068176272.db2.gz GUWNMFPTDVEMKK-PXNSSMCTSA-N 1 0 478.626 3.195 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](c3ccccc3)C[C@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001305107798 1068176830 /nfs/dbraw/zinc/17/68/30/1068176830.db2.gz QXFSIECFXHMPOV-URVUXULASA-N 1 0 474.675 3.003 20 0 JGADRO CC1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001305108399 1068177391 /nfs/dbraw/zinc/17/73/91/1068177391.db2.gz SHDPWAKUMVTKGS-FQEVSTJZSA-N 1 0 486.665 3.152 20 0 JGADRO CC1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC001305108450 1068178062 /nfs/dbraw/zinc/17/80/62/1068178062.db2.gz UAPXTLRDPGZCKE-IBGZPJMESA-N 1 0 462.545 3.199 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001305108987 1068178405 /nfs/dbraw/zinc/17/84/05/1068178405.db2.gz XVPGLCFVJOTJQZ-VXKWHMMOSA-N 1 0 474.694 3.283 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001305108676 1068178431 /nfs/dbraw/zinc/17/84/31/1068178431.db2.gz WRTIUWNMNBDYJU-KRWDZBQOSA-N 1 0 469.556 3.293 20 0 JGADRO CC(C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001305109683 1068180084 /nfs/dbraw/zinc/18/00/84/1068180084.db2.gz SNJRPDMKSPIYOG-VXKWHMMOSA-N 1 0 460.667 3.035 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC1CC(C)(C)C1 ZINC001305110066 1068180134 /nfs/dbraw/zinc/18/01/34/1068180134.db2.gz VLSNHEZKIZGKOB-VQTJNVASSA-N 1 0 480.723 3.273 20 0 JGADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(-c4ccccc4F)n3CCCS(C)(=O)=O)C2)CC1 ZINC001305110080 1068180753 /nfs/dbraw/zinc/18/07/53/1068180753.db2.gz VWCQIHPHZMMDMK-FQEVSTJZSA-N 1 0 477.650 3.467 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001303651682 1068181044 /nfs/dbraw/zinc/18/10/44/1068181044.db2.gz CZLXXZOHRRYPBH-JZJXAQOMSA-N 1 0 472.634 3.327 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305110424 1068181125 /nfs/dbraw/zinc/18/11/25/1068181125.db2.gz JLCMTRYRCUSPFQ-OAQYLSRUSA-N 1 0 469.634 3.099 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001303651879 1068181727 /nfs/dbraw/zinc/18/17/27/1068181727.db2.gz DWXCWORLGYWXDM-RXVVDRJESA-N 1 0 452.628 3.468 20 0 JGADRO CC1CC[NH+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001305110778 1068181765 /nfs/dbraw/zinc/18/17/65/1068181765.db2.gz OMSIWUQHUQIJEY-IBGZPJMESA-N 1 0 475.037 3.334 20 0 JGADRO C[C@@H](N1CCN(c2nnc(C3CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(F)(F)F ZINC001305111664 1068184055 /nfs/dbraw/zinc/18/40/55/1068184055.db2.gz FFHOOMLZQKPYSA-BRWVUGGUSA-N 1 0 458.573 3.116 20 0 JGADRO CC(C)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305111949 1068184956 /nfs/dbraw/zinc/18/49/56/1068184956.db2.gz HVOXFWPDHZMBCH-DHIUTWEWSA-N 1 0 496.700 3.256 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303654180 1068185011 /nfs/dbraw/zinc/18/50/11/1068185011.db2.gz UBEYJCDUILYSKN-GHTZIAJQSA-N 1 0 472.609 3.493 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(C3CC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C[C@@H](C)O1 ZINC001305112037 1068185232 /nfs/dbraw/zinc/18/52/32/1068185232.db2.gz DOBZIJMBMJFSQG-HUUCEWRRSA-N 1 0 469.556 3.432 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305112273 1068186011 /nfs/dbraw/zinc/18/60/11/1068186011.db2.gz GIFOHODHMUYDPH-PMACEKPBSA-N 1 0 462.683 3.373 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305112274 1068186085 /nfs/dbraw/zinc/18/60/85/1068186085.db2.gz GIFOHODHMUYDPH-WOJBJXKFSA-N 1 0 462.683 3.373 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCC3=O)CC2)C[C@H](C)O1 ZINC001305112554 1068187269 /nfs/dbraw/zinc/18/72/69/1068187269.db2.gz MIFICRJUCYDGBA-PMACEKPBSA-N 1 0 474.694 3.346 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N(C)[C@H]2CCOC2)C[C@H](C)O1 ZINC001305112551 1068187358 /nfs/dbraw/zinc/18/73/58/1068187358.db2.gz MIBGPEUSERWZES-OTWHNJEPSA-N 1 0 461.582 3.109 20 0 JGADRO Cc1c(C(=O)Nc2ccc(C[N@H+](C)CCOc3ccccc3)cc2)cnn1-c1ccc(=O)[nH]n1 ZINC001303655765 1068187824 /nfs/dbraw/zinc/18/78/24/1068187824.db2.gz KSIXWMRSUIPMJY-UHFFFAOYSA-N 1 0 458.522 3.439 20 0 JGADRO CC(C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305113177 1068189412 /nfs/dbraw/zinc/18/94/12/1068189412.db2.gz MWALEUIWDSTKDA-PMACEKPBSA-N 1 0 460.667 3.271 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N(C)Cc2cnccn2)C[C@@H](C)O1 ZINC001305113698 1068190648 /nfs/dbraw/zinc/19/06/48/1068190648.db2.gz VXSXHQDDDTXGHP-NHCUHLMSSA-N 1 0 463.630 3.378 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@H](C)O1 ZINC001305114256 1068191327 /nfs/dbraw/zinc/19/13/27/1068191327.db2.gz RAMRJLGBUUTGCG-CALCHBBNSA-N 1 0 473.025 3.251 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC001305114075 1068191344 /nfs/dbraw/zinc/19/13/44/1068191344.db2.gz XHYIFGXXFZCQFC-IXDOHACOSA-N 1 0 459.557 3.449 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccc2F)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305114445 1068191642 /nfs/dbraw/zinc/19/16/42/1068191642.db2.gz YAMJAZXEJQBGKB-BGYRXZFFSA-N 1 0 488.652 3.104 20 0 JGADRO C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCOC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC001303662683 1068193413 /nfs/dbraw/zinc/19/34/13/1068193413.db2.gz HWTNRNBDDLUAQD-FQEVSTJZSA-N 1 0 454.619 3.040 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305115905 1068195183 /nfs/dbraw/zinc/19/51/83/1068195183.db2.gz AAELFKSGHUGURS-LPHOPBHVSA-N 1 0 472.590 3.028 20 0 JGADRO C[C@H](CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)C1)[NH+]1CCCCC1 ZINC001303663849 1068195556 /nfs/dbraw/zinc/19/55/56/1068195556.db2.gz PGXKRNXCVIGTGJ-GOSISDBHSA-N 1 0 496.628 3.305 20 0 JGADRO C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC001303663913 1068196123 /nfs/dbraw/zinc/19/61/23/1068196123.db2.gz QCLIKZWSDVBIRS-SJBKTWHCSA-N 1 0 474.675 3.147 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305116853 1068196215 /nfs/dbraw/zinc/19/62/15/1068196215.db2.gz ISHSHONDGIAPPL-VQIMIIECSA-N 1 0 489.462 3.495 20 0 JGADRO C[C@@H](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCCCC1 ZINC001303664253 1068196792 /nfs/dbraw/zinc/19/67/92/1068196792.db2.gz SXTSGGGLTLADGS-ROUUACIJSA-N 1 0 476.572 3.478 20 0 JGADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303664347 1068196796 /nfs/dbraw/zinc/19/67/96/1068196796.db2.gz UNNZVFBUIVXZQU-DRMXPCRNSA-N 1 0 459.660 3.382 20 0 JGADRO C[C@@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303664450 1068197210 /nfs/dbraw/zinc/19/72/10/1068197210.db2.gz KTRRALBJVRHZCW-UNMCSNQZSA-N 1 0 482.654 3.264 20 0 JGADRO C[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC001303665151 1068198316 /nfs/dbraw/zinc/19/83/16/1068198316.db2.gz SHPYPJPYBQBBJO-MQSCRBSSSA-N 1 0 495.672 3.150 20 0 JGADRO C[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303665099 1068198364 /nfs/dbraw/zinc/19/83/64/1068198364.db2.gz AMUHHIXTDBDOEE-NHCUHLMSSA-N 1 0 460.667 3.449 20 0 JGADRO C[C@@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303666024 1068199362 /nfs/dbraw/zinc/19/93/62/1068199362.db2.gz WELSZPYATWIAIM-RBBKRZOGSA-N 1 0 497.669 3.049 20 0 JGADRO C[C@@H](CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCCC1 ZINC001303666067 1068200084 /nfs/dbraw/zinc/20/00/84/1068200084.db2.gz WMSAQZLHGIWEBK-ZWKOTPCHSA-N 1 0 466.051 3.486 20 0 JGADRO C[C@@H](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCCC1 ZINC001303666555 1068200462 /nfs/dbraw/zinc/20/04/62/1068200462.db2.gz YOTZAMKLSLXVOL-FQEVSTJZSA-N 1 0 481.649 3.437 20 0 JGADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC(C)(C)O1 ZINC001305119478 1068200701 /nfs/dbraw/zinc/20/07/01/1068200701.db2.gz CGLWJEBLPMGRKC-FXAWDEMLSA-N 1 0 481.576 3.371 20 0 JGADRO C[C@@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCCCC1 ZINC001303666749 1068200885 /nfs/dbraw/zinc/20/08/85/1068200885.db2.gz LQWFGHSRABDSET-RBUKOAKNSA-N 1 0 475.037 3.442 20 0 JGADRO C[C@H](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303667089 1068201419 /nfs/dbraw/zinc/20/14/19/1068201419.db2.gz FYJQOOAADLHMAF-CTNGQTDRSA-N 1 0 477.650 3.286 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCCCC1 ZINC001303666867 1068201443 /nfs/dbraw/zinc/20/14/43/1068201443.db2.gz FVTXCZJQAXXCGV-PMACEKPBSA-N 1 0 493.649 3.099 20 0 JGADRO C[C@@H](CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001303667817 1068202444 /nfs/dbraw/zinc/20/24/44/1068202444.db2.gz JJFNBZCCWXUKCY-ROUUACIJSA-N 1 0 460.573 3.113 20 0 JGADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1)[N@H+](C)Cc1ccccc1 ZINC001303667509 1068202450 /nfs/dbraw/zinc/20/24/50/1068202450.db2.gz HSCDYRSWBPPSPS-HXUWFJFHSA-N 1 0 477.657 3.434 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC001303668825 1068203522 /nfs/dbraw/zinc/20/35/22/1068203522.db2.gz QELKXOKZNPMOJA-XUVXKRRUSA-N 1 0 451.681 3.317 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303669653 1068204476 /nfs/dbraw/zinc/20/44/76/1068204476.db2.gz VJRUUKHLPNUKGS-SFTDATJTSA-N 1 0 476.666 3.494 20 0 JGADRO C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001303669909 1068204510 /nfs/dbraw/zinc/20/45/10/1068204510.db2.gz WKSWSRXJFXXIBF-MJGOQNOKSA-N 1 0 487.592 3.479 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001305122211 1068205547 /nfs/dbraw/zinc/20/55/47/1068205547.db2.gz MQBOWWFFKQAQNG-QFBILLFUSA-N 1 0 472.590 3.028 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001303672231 1068207551 /nfs/dbraw/zinc/20/75/51/1068207551.db2.gz OXCOUZZRSZSURK-UXHICEINSA-N 1 0 484.649 3.303 20 0 JGADRO C[C@H](CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC001303672886 1068209070 /nfs/dbraw/zinc/20/90/70/1068209070.db2.gz FQIQMYKNWSZOEP-VFNWGFHPSA-N 1 0 491.459 3.471 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303674004 1068211591 /nfs/dbraw/zinc/21/15/91/1068211591.db2.gz IWAHTMVHPFRTKM-MOPGFXCFSA-N 1 0 464.655 3.206 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001303673882 1068211631 /nfs/dbraw/zinc/21/16/31/1068211631.db2.gz HRGSVMQNRVHSBV-RTBURBONSA-N 1 0 450.628 3.163 20 0 JGADRO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001305125428 1068211928 /nfs/dbraw/zinc/21/19/28/1068211928.db2.gz WUDSUXQKLBFLHK-OALUTQOASA-N 1 0 455.607 3.050 20 0 JGADRO CC(C)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001305127708 1068214060 /nfs/dbraw/zinc/21/40/60/1068214060.db2.gz BQZGQTBIBCTJBW-CPJSRVTESA-N 1 0 457.619 3.165 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccn3C)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001303678676 1068216666 /nfs/dbraw/zinc/21/66/66/1068216666.db2.gz MRYLDIGDTKECNW-GOSISDBHSA-N 1 0 457.648 3.215 20 0 JGADRO COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303678570 1068216773 /nfs/dbraw/zinc/21/67/73/1068216773.db2.gz QUCLEPRLQHMCGF-JSXRDJHFSA-N 1 0 463.619 3.041 20 0 JGADRO C[C@@H](CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC001303681432 1068217185 /nfs/dbraw/zinc/21/71/85/1068217185.db2.gz AQNPLFPWODBCJG-KSFYIVLOSA-N 1 0 477.034 3.274 20 0 JGADRO C[C@@H](CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC001303681431 1068217310 /nfs/dbraw/zinc/21/73/10/1068217310.db2.gz AQNPLFPWODBCJG-AOMKIAJQSA-N 1 0 477.034 3.274 20 0 JGADRO C[C@H]1OCC[C@@]12CN(c1nnc(-c3cc(Br)c[nH]3)n1CC(C)(C)C[NH+](C)C)C[C@@H](C)O2 ZINC001305133314 1068220148 /nfs/dbraw/zinc/22/01/48/1068220148.db2.gz NMRXJHWYZRPJEH-XCGNWRKASA-N 1 0 495.466 3.396 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)cc(F)c1)[N@H+](C)C1CC1 ZINC001303684126 1068222033 /nfs/dbraw/zinc/22/20/33/1068222033.db2.gz ITUWUBFZAPUVDA-OAHLLOKOSA-N 1 0 455.513 3.323 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCCO[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305134967 1068222714 /nfs/dbraw/zinc/22/27/14/1068222714.db2.gz GSZKIVTYRDCZFP-MOPGFXCFSA-N 1 0 461.582 3.019 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCCO[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305134972 1068223143 /nfs/dbraw/zinc/22/31/43/1068223143.db2.gz GSZKIVTYRDCZFP-RTBURBONSA-N 1 0 461.582 3.019 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001303687378 1068225179 /nfs/dbraw/zinc/22/51/79/1068225179.db2.gz JZGOYPRXZWATKY-QZTJIDSGSA-N 1 0 480.654 3.142 20 0 JGADRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001303689362 1068228995 /nfs/dbraw/zinc/22/89/95/1068228995.db2.gz SGQXCSUGFHNTPY-LPHOPBHVSA-N 1 0 463.026 3.063 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](c2nccs2)C1)[NH+](C)C ZINC001303691212 1068230749 /nfs/dbraw/zinc/23/07/49/1068230749.db2.gz BWAAWNFIMQKTKI-XJKSGUPXSA-N 1 0 480.436 3.031 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC(N)=O)[N@H+](C)Cc1ccccc1 ZINC001303691166 1068230836 /nfs/dbraw/zinc/23/08/36/1068230836.db2.gz BLDPBAUWSUYEJX-JKSUJKDBSA-N 1 0 488.434 3.256 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCC2(CCOCC2)C1)[NH+](C)C ZINC001303691817 1068232157 /nfs/dbraw/zinc/23/21/57/1068232157.db2.gz JRCZCOZAGPDLAE-OAHLLOKOSA-N 1 0 451.413 3.383 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CCS1 ZINC001305139033 1068232335 /nfs/dbraw/zinc/23/23/35/1068232335.db2.gz RWKKFRIXKLFTAU-ACJLOTCBSA-N 1 0 471.494 3.415 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](O)(c2ccccc2F)C1)[NH+](C)C ZINC001303691779 1068232414 /nfs/dbraw/zinc/23/24/14/1068232414.db2.gz JDVAZAHYJSQLDE-SZNDQCEHSA-N 1 0 477.382 3.223 20 0 JGADRO C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303692463 1068234120 /nfs/dbraw/zinc/23/41/20/1068234120.db2.gz XKDQSLLSBMALAX-GJZGRUSLSA-N 1 0 493.425 3.292 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccc(O)c2)CC1)[NH+](C)C ZINC001303692527 1068234558 /nfs/dbraw/zinc/23/45/58/1068234558.db2.gz YNSVIOXSNFWVRJ-OAHLLOKOSA-N 1 0 474.407 3.018 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCSCC2)C[C@@H](C)O1 ZINC001305141225 1068235835 /nfs/dbraw/zinc/23/58/35/1068235835.db2.gz FWUQPMCBWCFKKX-HZPDHXFCSA-N 1 0 466.449 3.370 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCOCCCO)CC[N@@H+](C2CCC2)C1 ZINC001305141349 1068236216 /nfs/dbraw/zinc/23/62/16/1068236216.db2.gz APENUDWHLLLINK-INIZCTEOSA-N 1 0 498.491 3.479 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCCCC1)[NH+](C)C ZINC001303695318 1068238324 /nfs/dbraw/zinc/23/83/24/1068238324.db2.gz IAVIOFJEXQYXRW-SFHVURJKSA-N 1 0 462.664 3.162 20 0 JGADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CCNC2=O)CC1)[NH+](C)C ZINC001303695638 1068238944 /nfs/dbraw/zinc/23/89/44/1068238944.db2.gz UULXXVLNSJEOJQ-GOSISDBHSA-N 1 0 453.635 3.187 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1)[N@H+](C)C1CC1 ZINC001303695733 1068238960 /nfs/dbraw/zinc/23/89/60/1068238960.db2.gz JODHAMGCYXGRKX-STQMWFEESA-N 1 0 481.826 3.155 20 0 JGADRO C[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+](C)C ZINC001303697552 1068240738 /nfs/dbraw/zinc/24/07/38/1068240738.db2.gz YHTMIGMSBSRPHW-MRXNPFEDSA-N 1 0 465.689 3.239 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303698695 1068241421 /nfs/dbraw/zinc/24/14/21/1068241421.db2.gz FGVAZBIBEXUKDS-GJZGRUSLSA-N 1 0 493.425 3.292 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001305143746 1068242912 /nfs/dbraw/zinc/24/29/12/1068242912.db2.gz LZFZWERLXPSXAR-PMACEKPBSA-N 1 0 475.659 3.228 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H](C)S1 ZINC001305143662 1068242964 /nfs/dbraw/zinc/24/29/64/1068242964.db2.gz VJFDOVVXFDYZBN-STXHMFSFSA-N 1 0 466.449 3.104 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[N@H+](C)C1CC1 ZINC001303701513 1068245825 /nfs/dbraw/zinc/24/58/25/1068245825.db2.gz QZFJNWCWRBVRSW-HNNXBMFYSA-N 1 0 457.529 3.119 20 0 JGADRO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303702884 1068246924 /nfs/dbraw/zinc/24/69/24/1068246924.db2.gz GKURIAQUGRMBFB-PXNSSMCTSA-N 1 0 455.607 3.268 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001303703072 1068246972 /nfs/dbraw/zinc/24/69/72/1068246972.db2.gz KAPNLDYNXQLJNW-GUDVDZBRSA-N 1 0 457.623 3.212 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)C(C)C ZINC001305146702 1068248099 /nfs/dbraw/zinc/24/80/99/1068248099.db2.gz PMVDYHCFFLXVPT-CTNGQTDRSA-N 1 0 476.069 3.269 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)C(C)C ZINC001305146708 1068248268 /nfs/dbraw/zinc/24/82/68/1068248268.db2.gz PMVDYHCFFLXVPT-TZIWHRDSSA-N 1 0 476.069 3.269 20 0 JGADRO CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001305147522 1068249930 /nfs/dbraw/zinc/24/99/30/1068249930.db2.gz HVIUDLMXSSGJTI-GOSISDBHSA-N 1 0 495.093 3.237 20 0 JGADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccccc1 ZINC001303705461 1068250132 /nfs/dbraw/zinc/25/01/32/1068250132.db2.gz MVNQRGFWAAGWJJ-QRVBRYPASA-N 1 0 458.632 3.052 20 0 JGADRO C[C@H](c1cccs1)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)[NH+](C)C ZINC001303707422 1068252920 /nfs/dbraw/zinc/25/29/20/1068252920.db2.gz HJONRAJCOPVDFC-JKSUJKDBSA-N 1 0 451.600 3.401 20 0 JGADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303707945 1068253410 /nfs/dbraw/zinc/25/34/10/1068253410.db2.gz KMIAXCRCXKAVRW-OALUTQOASA-N 1 0 470.622 3.055 20 0 JGADRO CC(C)n1nc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303709961 1068256623 /nfs/dbraw/zinc/25/66/23/1068256623.db2.gz YSQBSSLVMNOSRM-AOCRQIFASA-N 1 0 455.582 3.370 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001303712022 1068257461 /nfs/dbraw/zinc/25/74/61/1068257461.db2.gz HPCABDZSQAXHDL-PXNSSMCTSA-N 1 0 461.010 3.271 20 0 JGADRO C[C@H](Cn1c(C2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001303712985 1068258413 /nfs/dbraw/zinc/25/84/13/1068258413.db2.gz NXWIAWVURFEKKX-KNQAVFIVSA-N 1 0 484.645 3.406 20 0 JGADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303714010 1068259488 /nfs/dbraw/zinc/25/94/88/1068259488.db2.gz SNMOOCKFNGOJCV-RBBKRZOGSA-N 1 0 488.702 3.174 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CCC(N)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC001303715171 1068261574 /nfs/dbraw/zinc/26/15/74/1068261574.db2.gz AWBGHHAOTQYUMS-REWPJTCUSA-N 1 0 468.646 3.175 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1)[NH+](C)C ZINC001303715700 1068262316 /nfs/dbraw/zinc/26/23/16/1068262316.db2.gz AZAPFSZTSWXIDC-PXNSSMCTSA-N 1 0 461.010 3.086 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCc1nccs1)[NH+](C)C ZINC001303716617 1068263750 /nfs/dbraw/zinc/26/37/50/1068263750.db2.gz GBDSEXFBFOCTPZ-ZWKOTPCHSA-N 1 0 477.679 3.478 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC001305158322 1068267017 /nfs/dbraw/zinc/26/70/17/1068267017.db2.gz OKHNQTXPXIZFRF-WOJBJXKFSA-N 1 0 450.587 3.137 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nccs1)[NH+](C)C ZINC001303719125 1068267885 /nfs/dbraw/zinc/26/78/85/1068267885.db2.gz SHTHTGHTAMLCDQ-DLBZAZTESA-N 1 0 463.652 3.436 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccn3C)n2CCC[NH+]2CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305159890 1068268829 /nfs/dbraw/zinc/26/88/29/1068268829.db2.gz GJFSPJZCGRUGQZ-OALUTQOASA-N 1 0 457.623 3.119 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCCO1)[NH+](C)C ZINC001303720228 1068269051 /nfs/dbraw/zinc/26/90/51/1068269051.db2.gz XTAYONGJMLVKJV-HSALFYBXSA-N 1 0 464.655 3.348 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001303720686 1068269691 /nfs/dbraw/zinc/26/96/91/1068269691.db2.gz ZTWXBVRHKZLZCY-GBESFXJTSA-N 1 0 464.655 3.346 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305162858 1068270861 /nfs/dbraw/zinc/27/08/61/1068270861.db2.gz MOMPTIXDXWVUON-XMSQKQJNSA-N 1 0 494.644 3.138 20 0 JGADRO C[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001303721873 1068271032 /nfs/dbraw/zinc/27/10/32/1068271032.db2.gz IQUKQPHAPPKRQV-KSSFIOAISA-N 1 0 467.492 3.089 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCSC1)[N@H+](C)C1CC1 ZINC001303723212 1068273251 /nfs/dbraw/zinc/27/32/51/1068273251.db2.gz RRWNWUBYZLYRRY-QRQLOZEOSA-N 1 0 480.679 3.011 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001305164341 1068273628 /nfs/dbraw/zinc/27/36/28/1068273628.db2.gz LMFSPCPFUKGGAG-AYOQOUSVSA-N 1 0 467.540 3.402 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001305164937 1068274646 /nfs/dbraw/zinc/27/46/46/1068274646.db2.gz KPINLXAFIOVWGL-IBGZPJMESA-N 1 0 470.622 3.057 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)S1 ZINC001305165209 1068275475 /nfs/dbraw/zinc/27/54/75/1068275475.db2.gz ZJAFKURGQIJEDN-KDURUIRLSA-N 1 0 469.659 3.388 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H]1C1CCC1)[NH+](C)C ZINC001303725477 1068277609 /nfs/dbraw/zinc/27/76/09/1068277609.db2.gz VUSFZAUVORGSTB-MISYRCLQSA-N 1 0 462.639 3.306 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@H+](C)C1CC1 ZINC001303726547 1068279392 /nfs/dbraw/zinc/27/93/92/1068279392.db2.gz FRVBQVGFYCRZNJ-UWJYYQICSA-N 1 0 480.078 3.409 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@H+](C)C1CC1 ZINC001303726544 1068279406 /nfs/dbraw/zinc/27/94/06/1068279406.db2.gz FRVBQVGFYCRZNJ-DYESRHJHSA-N 1 0 480.078 3.409 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001303728259 1068282763 /nfs/dbraw/zinc/28/27/63/1068282763.db2.gz KXUGUHQCXPJHQG-OAHLLOKOSA-N 1 0 450.509 3.094 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC2([NH+](C)C)CCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305170817 1068282776 /nfs/dbraw/zinc/28/27/76/1068282776.db2.gz AFFUOEJZRMBYNN-CEXWTWQISA-N 1 0 462.639 3.353 20 0 JGADRO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2=NCC(C)(C)S2)CC1)[NH+](C)C ZINC001303728615 1068282885 /nfs/dbraw/zinc/28/28/85/1068282885.db2.gz VDBGLDQISQATSQ-INIZCTEOSA-N 1 0 477.629 3.101 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001303728790 1068283374 /nfs/dbraw/zinc/28/33/74/1068283374.db2.gz QCOTZOOMWOWTPF-UUOWRZLLSA-N 1 0 455.006 3.051 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001305171541 1068283835 /nfs/dbraw/zinc/28/38/35/1068283835.db2.gz SEXUMERIFVOUNT-FPOVZHCZSA-N 1 0 476.666 3.228 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001303729315 1068284871 /nfs/dbraw/zinc/28/48/71/1068284871.db2.gz UGKRBMGHELPFPS-KOSHJBKYSA-N 1 0 452.578 3.303 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305173709 1068286161 /nfs/dbraw/zinc/28/61/61/1068286161.db2.gz FKFDFCRJCMATSZ-KZNAEPCWSA-N 1 0 459.557 3.450 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)[NH+](C)C ZINC001303731758 1068287413 /nfs/dbraw/zinc/28/74/13/1068287413.db2.gz PMHRCVZDFZFVPF-LAUBAEHRSA-N 1 0 472.540 3.393 20 0 JGADRO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1)N1CCOCC1 ZINC001303734120 1068290173 /nfs/dbraw/zinc/29/01/73/1068290173.db2.gz BUCFJOIYBJDVHM-JOCHJYFZSA-N 1 0 454.663 3.095 20 0 JGADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1)[NH+](C)C ZINC001303734697 1068291243 /nfs/dbraw/zinc/29/12/43/1068291243.db2.gz MYVMDMUJWSNVKH-OAQYLSRUSA-N 1 0 468.646 3.079 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2nccs2)CC1 ZINC001303735405 1068292343 /nfs/dbraw/zinc/29/23/43/1068292343.db2.gz DRIGABGEQDTJFT-SFHVURJKSA-N 1 0 459.664 3.217 20 0 JGADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+](C)C ZINC001303735468 1068292889 /nfs/dbraw/zinc/29/28/89/1068292889.db2.gz ZFGTXXZGKQDZCI-VGOFRKELSA-N 1 0 469.552 3.379 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001305178780 1068293615 /nfs/dbraw/zinc/29/36/15/1068293615.db2.gz LQZSJRQPDJNYNZ-UXHICEINSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)C1CC1 ZINC001303737105 1068295177 /nfs/dbraw/zinc/29/51/77/1068295177.db2.gz NGRCRVYWUKZDKW-MAUKXSAKSA-N 1 0 484.091 3.330 20 0 JGADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCCc1ccccn1)[NH+](C)C ZINC001303736967 1068295361 /nfs/dbraw/zinc/29/53/61/1068295361.db2.gz CISGFLNEFAWAQV-IRFCIJBXSA-N 1 0 471.650 3.463 20 0 JGADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC001303737557 1068296431 /nfs/dbraw/zinc/29/64/31/1068296431.db2.gz PHMJPKOCGJOLPX-YTQUADARSA-N 1 0 486.617 3.364 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305180114 1068296444 /nfs/dbraw/zinc/29/64/44/1068296444.db2.gz POLJIZTWJCAJPH-QRVBRYPASA-N 1 0 474.606 3.124 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCSCC2)CCCO1 ZINC001305181883 1068298735 /nfs/dbraw/zinc/29/87/35/1068298735.db2.gz XEVLMYFMZPQFIA-VQTJNVASSA-N 1 0 494.706 3.057 20 0 JGADRO C[C@@H](Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001303739210 1068299358 /nfs/dbraw/zinc/29/93/58/1068299358.db2.gz PAXLIPXXRQXIBK-RBBKRZOGSA-N 1 0 488.702 3.100 20 0 JGADRO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@]2(CCOC2)O1 ZINC001305183257 1068300973 /nfs/dbraw/zinc/30/09/73/1068300973.db2.gz JROXVPQVXRYSQG-IDISGSTGSA-N 1 0 485.673 3.434 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001303742709 1068301568 /nfs/dbraw/zinc/30/15/68/1068301568.db2.gz DNAQLYXNCGPRFT-MOPGFXCFSA-N 1 0 462.639 3.450 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Nc2cccnn2)CC1)[NH+](C)C ZINC001303742683 1068301607 /nfs/dbraw/zinc/30/16/07/1068301607.db2.gz DBSWPWXNJIGYCM-FBBABVLZSA-N 1 0 456.639 3.018 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001303742799 1068301690 /nfs/dbraw/zinc/30/16/90/1068301690.db2.gz GLXLYAUKOOCRNI-HRCADAONSA-N 1 0 476.544 3.068 20 0 JGADRO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305184721 1068302475 /nfs/dbraw/zinc/30/24/75/1068302475.db2.gz QGNCQKIVQFKJIP-AABGKKOBSA-N 1 0 478.682 3.063 20 0 JGADRO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2ccc(O)cc2)CC1)[NH+](C)C ZINC001303743648 1068302932 /nfs/dbraw/zinc/30/29/32/1068302932.db2.gz PATWGIWVVMCQEK-SLFFLAALSA-N 1 0 499.660 3.031 20 0 JGADRO C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)C1)C[NH+]1CCCC1 ZINC001303744166 1068303907 /nfs/dbraw/zinc/30/39/07/1068303907.db2.gz BAVBYZMMZWRRFX-ZJRDLVKKSA-N 1 0 463.623 3.265 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1)[NH+](C)C ZINC001303744664 1068305061 /nfs/dbraw/zinc/30/50/61/1068305061.db2.gz JKNWLQYHMOUCRM-LZQZEXGQSA-N 1 0 451.518 3.259 20 0 JGADRO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2(CS(C)(=O)=O)CC2)CC[N@@H+](C2CCC2)C1 ZINC001305186848 1068305007 /nfs/dbraw/zinc/30/50/07/1068305007.db2.gz RXCOLLUWVXXGQZ-GOSISDBHSA-N 1 0 451.681 3.002 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1cnccn1)C[NH+]1CCCC1 ZINC001303745462 1068306137 /nfs/dbraw/zinc/30/61/37/1068306137.db2.gz HURKVBYMNWMFCD-QGZVFWFLSA-N 1 0 487.450 3.247 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001303745799 1068306617 /nfs/dbraw/zinc/30/66/17/1068306617.db2.gz JIJADRNMPGPKAI-LEWJYISDSA-N 1 0 455.651 3.004 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC001303746567 1068307303 /nfs/dbraw/zinc/30/73/03/1068307303.db2.gz MDSRBUQJRFOHJW-INIZCTEOSA-N 1 0 465.440 3.393 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001303746800 1068307718 /nfs/dbraw/zinc/30/77/18/1068307718.db2.gz WIUDWNAFCYEONP-UGKGYDQZSA-N 1 0 477.650 3.143 20 0 JGADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303746780 1068307836 /nfs/dbraw/zinc/30/78/36/1068307836.db2.gz WGPFLWKBYCNMTQ-UXHICEINSA-N 1 0 455.651 3.384 20 0 JGADRO C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(F)(F)F)C[NH+]1CCCC1 ZINC001303746839 1068308472 /nfs/dbraw/zinc/30/84/72/1068308472.db2.gz NLSPUXHGWXPKIV-HNNXBMFYSA-N 1 0 459.538 3.079 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC001303747995 1068309219 /nfs/dbraw/zinc/30/92/19/1068309219.db2.gz VNUCBQOBAGEFLV-GOSISDBHSA-N 1 0 495.093 3.191 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C)C[NH+]1CCCC1 ZINC001303748273 1068309572 /nfs/dbraw/zinc/30/95/72/1068309572.db2.gz YSKYBZNKGCTBJA-DLBZAZTESA-N 1 0 475.435 3.106 20 0 JGADRO C[C@H]1C[NH+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC001305190033 1068310087 /nfs/dbraw/zinc/31/00/87/1068310087.db2.gz XWNHELONRIOFCV-QYZOEREBSA-N 1 0 463.573 3.262 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCC[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC001305190020 1068310305 /nfs/dbraw/zinc/31/03/05/1068310305.db2.gz DGDDYLVARXRWBL-XLIONFOSSA-N 1 0 485.526 3.276 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)C[NH+]1CCCCC1 ZINC001303750736 1068310769 /nfs/dbraw/zinc/31/07/69/1068310769.db2.gz DOMOPZUUJQTNFK-DUTUXMCTSA-N 1 0 467.643 3.231 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305190149 1068311417 /nfs/dbraw/zinc/31/14/17/1068311417.db2.gz CKHPLVCCYUAQSH-AEFFLSMTSA-N 1 0 452.525 3.294 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305190144 1068311432 /nfs/dbraw/zinc/31/14/32/1068311432.db2.gz DWISRZFSVJUGFX-YLJYHZDGSA-N 1 0 498.569 3.190 20 0 JGADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001303751470 1068311783 /nfs/dbraw/zinc/31/17/83/1068311783.db2.gz KPNPLPFXMOZGAP-MSOLQXFVSA-N 1 0 453.557 3.468 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCC2)CCN1CC(F)(F)F ZINC001305190647 1068312418 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WHUBHNZDXNBDGN-KRWDZBQOSA-N 1 0 465.440 3.125 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001303753867 1068316299 /nfs/dbraw/zinc/31/62/99/1068316299.db2.gz FDHZQJMEYFUMGE-HLLBOEOZSA-N 1 0 488.942 3.118 20 0 JGADRO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC001303754780 1068317915 /nfs/dbraw/zinc/31/79/15/1068317915.db2.gz YOYXKQWGPAXUTD-RTBURBONSA-N 1 0 466.696 3.193 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001303754932 1068317959 /nfs/dbraw/zinc/31/79/59/1068317959.db2.gz KHOUCIBAEBEZHC-VQTJNVASSA-N 1 0 464.655 3.206 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303754777 1068318008 /nfs/dbraw/zinc/31/80/08/1068318008.db2.gz YOYXKQWGPAXUTD-RBUKOAKNSA-N 1 0 466.696 3.193 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCN(C)CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC001305193771 1068318157 /nfs/dbraw/zinc/31/81/57/1068318157.db2.gz 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ZINC001303902133 1068545413 /nfs/dbraw/zinc/54/54/13/1068545413.db2.gz LZNLGFILOLIKGX-NFBKMPQASA-N 1 0 474.625 3.198 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCC(=O)N(C)C ZINC001303902736 1068546379 /nfs/dbraw/zinc/54/63/79/1068546379.db2.gz XVXMXLVPLXVTOG-ICSRJNTNSA-N 1 0 458.582 3.100 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001305326815 1068549344 /nfs/dbraw/zinc/54/93/44/1068549344.db2.gz ZKIPLALKVCNNIP-WKGYELDXSA-N 1 0 457.619 3.432 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@@H]2CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001303905241 1068550116 /nfs/dbraw/zinc/55/01/16/1068550116.db2.gz LCRWCQAKNLQZIS-PKOBYXMFSA-N 1 0 464.010 3.407 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303905377 1068550165 /nfs/dbraw/zinc/55/01/65/1068550165.db2.gz NVJZNCOFXOIIHH-ZCNNSNEGSA-N 1 0 475.609 3.406 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(Nc2ccn(C)n2)n1CC1CC[NH+](CCN(C)C)CC1 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CC(C)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001303925663 1068581843 /nfs/dbraw/zinc/58/18/43/1068581843.db2.gz CDPQEWMMHMYEKH-ZJOUEHCJSA-N 1 0 472.609 3.379 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC(N)=O)CC2)n1CC1([NH+](C)C)CCC1 ZINC001303925839 1068582328 /nfs/dbraw/zinc/58/23/28/1068582328.db2.gz WKAQYXDFHJVUPW-QGZVFWFLSA-N 1 0 458.582 3.133 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303925964 1068582338 /nfs/dbraw/zinc/58/23/38/1068582338.db2.gz GIVDCULALLFZBF-SVFBPWRDSA-N 1 0 472.609 3.489 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001303925927 1068582582 /nfs/dbraw/zinc/58/25/82/1068582582.db2.gz FVQKLSGFNOUUJZ-SFHVURJKSA-N 1 0 498.607 3.021 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303925963 1068582758 /nfs/dbraw/zinc/58/27/58/1068582758.db2.gz GIVDCULALLFZBF-IRFCIJBXSA-N 1 0 472.609 3.489 20 0 JGADRO 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CC[C@@H](c1nnc(N2CCC[C@H](NC(C)=O)C2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001305677262 1069033127 /nfs/dbraw/zinc/03/31/27/1069033127.db2.gz VYIPFYHERLODJT-SGIRGMQISA-N 1 0 470.687 3.362 20 0 JGADRO CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001305692634 1069061292 /nfs/dbraw/zinc/06/12/92/1069061292.db2.gz IPQURZFGIWDSTR-SIKLNZKXSA-N 1 0 460.667 3.130 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC001305703852 1069087810 /nfs/dbraw/zinc/08/78/10/1069087810.db2.gz BSCOMGJUIFCXBH-VXKWHMMOSA-N 1 0 474.625 3.500 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(N)=O)CC1)[NH+](C)C ZINC001305704830 1069092345 /nfs/dbraw/zinc/09/23/45/1069092345.db2.gz NCTNHTVHOVDYGX-LJQANCHMSA-N 1 0 494.482 3.494 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1)[NH+](C)C ZINC001305705059 1069092957 /nfs/dbraw/zinc/09/29/57/1069092957.db2.gz IKUBJIBERXFKPX-KCWPFWIISA-N 1 0 482.673 3.461 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)C2CC2)CC1)[NH+](C)C ZINC001305706321 1069095312 /nfs/dbraw/zinc/09/53/12/1069095312.db2.gz MGFZGEGXKRREIE-JOCHJYFZSA-N 1 0 453.635 3.202 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)[NH+](C)C ZINC001305706597 1069095776 /nfs/dbraw/zinc/09/57/76/1069095776.db2.gz NTMTYMXYPYZDSG-HSZRJFAPSA-N 1 0 479.677 3.383 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC001305706574 1069095917 /nfs/dbraw/zinc/09/59/17/1069095917.db2.gz NLHWTWPATCIOQX-HXUWFJFHSA-N 1 0 461.680 3.147 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(C1)OCc1ccccc12)[NH+](C)C ZINC001305707077 1069097368 /nfs/dbraw/zinc/09/73/68/1069097368.db2.gz PXHYTORXJMGEHO-GJZUVCINSA-N 1 0 468.646 3.419 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@](C)(CC)C1)[NH+](C)C ZINC001305707425 1069098627 /nfs/dbraw/zinc/09/86/27/1069098627.db2.gz FICOJKGNORRNTE-WIOPSUGQSA-N 1 0 481.649 3.293 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001305708610 1069101134 /nfs/dbraw/zinc/10/11/34/1069101134.db2.gz WOFIWVPMMHEVBS-SIKLNZKXSA-N 1 0 456.635 3.481 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001305708582 1069101175 /nfs/dbraw/zinc/10/11/75/1069101175.db2.gz KXLCANFUVCDFQF-AVRDEDQJSA-N 1 0 481.649 3.291 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(S(=O)(=O)CC)CC1)[NH+](C)C ZINC001305708616 1069101186 /nfs/dbraw/zinc/10/11/86/1069101186.db2.gz WPONXVKTFDAZEV-OAQYLSRUSA-N 1 0 464.680 3.054 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1)[NH+](C)C ZINC001305708563 1069101232 /nfs/dbraw/zinc/10/12/32/1069101232.db2.gz KSZDREAVFMBOGE-RXFWQSSRSA-N 1 0 484.645 3.045 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305709309 1069104132 /nfs/dbraw/zinc/10/41/32/1069104132.db2.gz OPQWKFNERUNWQA-FYYLOGMGSA-N 1 0 485.629 3.090 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1)[NH+](C)C ZINC001305709649 1069104756 /nfs/dbraw/zinc/10/47/56/1069104756.db2.gz AVYDSHIXBCVQHR-HSZRJFAPSA-N 1 0 458.626 3.479 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(=O)OC)CC1)[NH+](C)C ZINC001305709681 1069104867 /nfs/dbraw/zinc/10/48/67/1069104867.db2.gz QYDVRNZSJYTQMY-HXUWFJFHSA-N 1 0 471.602 3.430 20 0 JGADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001305709830 1069105465 /nfs/dbraw/zinc/10/54/65/1069105465.db2.gz GOTZQGJIMDRAQH-OFNKIYASSA-N 1 0 473.710 3.045 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305710022 1069106711 /nfs/dbraw/zinc/10/67/11/1069106711.db2.gz DFUMKUKAELKEIV-UGKGYDQZSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001305710477 1069107901 /nfs/dbraw/zinc/10/79/01/1069107901.db2.gz HNWJNTXJXJWORA-PKTZIBPZSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2nc(C)cc2C)CC1)[NH+](C)C ZINC001305711263 1069110133 /nfs/dbraw/zinc/11/01/33/1069110133.db2.gz NMSLJHWDPAFSMB-XZOQPEGZSA-N 1 0 484.693 3.326 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001305711689 1069111016 /nfs/dbraw/zinc/11/10/16/1069111016.db2.gz NNMZJNWSEJRWCP-OAQYLSRUSA-N 1 0 486.627 3.442 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCn2nc(C)nc2C1)[NH+](C)C ZINC001305711703 1069111063 /nfs/dbraw/zinc/11/10/63/1069111063.db2.gz NVMDCWBMPLTEOA-OAQYLSRUSA-N 1 0 466.634 3.164 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OC)C1)[NH+]1CCOCC1 ZINC001305711683 1069111170 /nfs/dbraw/zinc/11/11/70/1069111170.db2.gz NNFQCFBUKMFPDO-GOTSBHOMSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1)[NH+](C)C ZINC001305712784 1069113034 /nfs/dbraw/zinc/11/30/34/1069113034.db2.gz COOQLJFACAMBDO-FUPPJEDESA-N 1 0 474.694 3.374 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001305712681 1069113073 /nfs/dbraw/zinc/11/30/73/1069113073.db2.gz CCJPMYHPCARTRO-FQEVSTJZSA-N 1 0 484.615 3.190 20 0 JGADRO CCC(CC)[C@H](Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305712800 1069113093 /nfs/dbraw/zinc/11/30/93/1069113093.db2.gz CRGXFFGGNUUFRN-VXKWHMMOSA-N 1 0 476.710 3.454 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001305712867 1069113804 /nfs/dbraw/zinc/11/38/04/1069113804.db2.gz SKKRMVCAJAMVQT-KNQAVFIVSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1)[NH+](C)C ZINC001305713062 1069113859 /nfs/dbraw/zinc/11/38/59/1069113859.db2.gz VVDSUPYAWMYNAC-FCHUYYIVSA-N 1 0 470.666 3.196 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305712868 1069113929 /nfs/dbraw/zinc/11/39/29/1069113929.db2.gz SKKRMVCAJAMVQT-SIKLNZKXSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001305712888 1069113948 /nfs/dbraw/zinc/11/39/48/1069113948.db2.gz SZZVOXLTPUWSFD-AUSIDOKSSA-N 1 0 459.610 3.370 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001305713336 1069115362 /nfs/dbraw/zinc/11/53/62/1069115362.db2.gz UPSFXFOITXHXMC-JQVVWYNYSA-N 1 0 453.635 3.497 20 0 JGADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001305713334 1069115409 /nfs/dbraw/zinc/11/54/09/1069115409.db2.gz GRYPYJUCTDMNSU-VWNXMTODSA-N 1 0 470.662 3.053 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1)[NH+](C)C ZINC001305713544 1069115955 /nfs/dbraw/zinc/11/59/55/1069115955.db2.gz JMGAGZUELYVKTJ-FGZHOGPDSA-N 1 0 492.690 3.054 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1)[NH+](C)C ZINC001305713497 1069115963 /nfs/dbraw/zinc/11/59/63/1069115963.db2.gz JFTQKHDQJRWGTK-SLFFLAALSA-N 1 0 475.638 3.233 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(C)on2)CC1)[NH+](C)C ZINC001305713803 1069116413 /nfs/dbraw/zinc/11/64/13/1069116413.db2.gz CQYDPGFXQHTJIA-FGZHOGPDSA-N 1 0 459.639 3.115 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+](C)C ZINC001305714289 1069117704 /nfs/dbraw/zinc/11/77/04/1069117704.db2.gz KRKNRDKCDNWDTI-FCHUYYIVSA-N 1 0 462.683 3.232 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001305714554 1069118520 /nfs/dbraw/zinc/11/85/20/1069118520.db2.gz JQLDLUYFLLUZAK-PMACEKPBSA-N 1 0 496.722 3.285 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001305714949 1069118859 /nfs/dbraw/zinc/11/88/59/1069118859.db2.gz ZUTGXWOAVWRUON-HSZRJFAPSA-N 1 0 467.662 3.079 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)[NH+](C)C ZINC001305715390 1069120139 /nfs/dbraw/zinc/12/01/39/1069120139.db2.gz LHYKAKXXJDHIML-DHIUTWEWSA-N 1 0 486.636 3.484 20 0 JGADRO 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CCC(CC)NC(=O)c1nnc(N(C)Cc2cccs2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305725617 1069141604 /nfs/dbraw/zinc/14/16/04/1069141604.db2.gz SNQFIILHQVEPIY-NRFANRHFSA-N 1 0 450.678 3.332 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CC[N@@H+]1CCC[C@@H]1C ZINC001305726354 1069143496 /nfs/dbraw/zinc/14/34/96/1069143496.db2.gz YZUSFMZWUYKRLN-SFHVURJKSA-N 1 0 470.618 3.088 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305736047 1069157175 /nfs/dbraw/zinc/15/71/75/1069157175.db2.gz MOARKQQNWCLWJM-FNZWTVRRSA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccccc1-n1cccn1 ZINC001305737201 1069160387 /nfs/dbraw/zinc/16/03/87/1069160387.db2.gz GLOSIGKPNZSMEI-PMACEKPBSA-N 1 0 478.645 3.349 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCOc1ncccc1Cl ZINC001305738194 1069163108 /nfs/dbraw/zinc/16/31/08/1069163108.db2.gz LVCYFWAMBABUEC-IRXDYDNUSA-N 1 0 478.041 3.243 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001305740304 1069170557 /nfs/dbraw/zinc/17/05/57/1069170557.db2.gz HZGKXJWEXBTMMP-IBGZPJMESA-N 1 0 484.645 3.095 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H](OC)c1ccccc1 ZINC001305740533 1069170904 /nfs/dbraw/zinc/17/09/04/1069170904.db2.gz OZQJJRJSOQIOBP-YUXAGFNASA-N 1 0 454.619 3.257 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741528 1069173614 /nfs/dbraw/zinc/17/36/14/1069173614.db2.gz STXVOQOHZVKSQB-HBMCJLEFSA-N 1 0 495.672 3.169 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001305741863 1069174911 /nfs/dbraw/zinc/17/49/11/1069174911.db2.gz KXAQCQQPHCSWAF-XBMXVBEASA-N 1 0 460.667 3.058 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCc1sc(C)nc1C ZINC001305742584 1069177355 /nfs/dbraw/zinc/17/73/55/1069177355.db2.gz WABBHYSNYQQGMN-HOTGVXAUSA-N 1 0 461.680 3.431 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CCc1sc(C)nc1C ZINC001305742581 1069177492 /nfs/dbraw/zinc/17/74/92/1069177492.db2.gz WABBHYSNYQQGMN-CVEARBPZSA-N 1 0 461.680 3.431 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001305742804 1069178122 /nfs/dbraw/zinc/17/81/22/1069178122.db2.gz VSCCBZVKMJEPHK-UHFFFAOYSA-N 1 0 486.583 3.419 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1Cc1cc(C(C)(C)C)no1 ZINC001305743055 1069178665 /nfs/dbraw/zinc/17/86/65/1069178665.db2.gz ZLWRNDJGELYGRA-AEFFLSMTSA-N 1 0 457.623 3.203 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305743145 1069178705 /nfs/dbraw/zinc/17/87/05/1069178705.db2.gz QVYYZDJZHMVVJR-ACRUOGEOSA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1Cc1cc(C(C)(C)C)no1 ZINC001305743058 1069178756 /nfs/dbraw/zinc/17/87/56/1069178756.db2.gz ZLWRNDJGELYGRA-WMZOPIPTSA-N 1 0 457.623 3.203 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001305742907 1069178821 /nfs/dbraw/zinc/17/88/21/1069178821.db2.gz CLEATMLRRYFFRT-RTBURBONSA-N 1 0 491.681 3.032 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CC[NH+]1CCC(C)CC1 ZINC001305743170 1069179384 /nfs/dbraw/zinc/17/93/84/1069179384.db2.gz REUHNMJZOACINC-OAQYLSRUSA-N 1 0 460.667 3.060 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CCCn1nc(C)cc1C ZINC001305743753 1069181180 /nfs/dbraw/zinc/18/11/80/1069181180.db2.gz YLXOSLXHHITVDJ-WOJBJXKFSA-N 1 0 458.655 3.019 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001305743962 1069181756 /nfs/dbraw/zinc/18/17/56/1069181756.db2.gz OCXJTWQIQXOQPX-QHEFXJGPSA-N 1 0 490.693 3.090 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001305744732 1069184395 /nfs/dbraw/zinc/18/43/95/1069184395.db2.gz XRDNUTFZUVYVJJ-VSCPTIONSA-N 1 0 490.693 3.234 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305744745 1069184888 /nfs/dbraw/zinc/18/48/88/1069184888.db2.gz XSJAJFJPKMHUPT-TUNNFDKTSA-N 1 0 474.694 3.448 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305750430 1069196050 /nfs/dbraw/zinc/19/60/50/1069196050.db2.gz XPMDGJHYXGIPPE-DHIUTWEWSA-N 1 0 495.716 3.497 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001305750587 1069196856 /nfs/dbraw/zinc/19/68/56/1069196856.db2.gz HCAJNEJPEZLTQB-LJQANCHMSA-N 1 0 459.664 3.377 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001305750759 1069196888 /nfs/dbraw/zinc/19/68/88/1069196888.db2.gz LTKZNMGBJVEGOW-UHFFFAOYSA-N 1 0 484.693 3.436 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001305750972 1069197439 /nfs/dbraw/zinc/19/74/39/1069197439.db2.gz VWGAKESPMUZEHG-UHFFFAOYSA-N 1 0 482.673 3.438 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1CCC1CC[NH+](CC)CC1 ZINC001305752208 1069199315 /nfs/dbraw/zinc/19/93/15/1069199315.db2.gz NXNJSKRLLYLDRQ-NHCUHLMSSA-N 1 0 460.667 3.181 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1Cc1ccc(C)cc1OC ZINC001305755273 1069206957 /nfs/dbraw/zinc/20/69/57/1069206957.db2.gz MTSBUNJCPJMRPT-UHFFFAOYSA-N 1 0 498.672 3.110 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001305756354 1069210011 /nfs/dbraw/zinc/21/00/11/1069210011.db2.gz VSJRFPRQMWRFLP-GOSISDBHSA-N 1 0 493.697 3.372 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1Cc1nccc(C(F)F)n1 ZINC001305756574 1069211020 /nfs/dbraw/zinc/21/10/20/1069211020.db2.gz IFSRGBRKOWFGKC-UHFFFAOYSA-N 1 0 490.603 3.427 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1CCC[NH+]1CCCC1 ZINC001305757594 1069214454 /nfs/dbraw/zinc/21/44/54/1069214454.db2.gz AUCNCRZBCFKWRA-AREMUKBSSA-N 1 0 468.646 3.089 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001305758122 1069216455 /nfs/dbraw/zinc/21/64/55/1069216455.db2.gz BPHHMQDROYXQJC-LJQANCHMSA-N 1 0 483.661 3.372 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001305758457 1069217373 /nfs/dbraw/zinc/21/73/73/1069217373.db2.gz FLWQGVWHFQWZEM-QFIPXVFZSA-N 1 0 495.603 3.302 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001305758702 1069219016 /nfs/dbraw/zinc/21/90/16/1069219016.db2.gz LUVCBXIHQFITHN-UHFFFAOYSA-N 1 0 460.598 3.359 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305759457 1069221485 /nfs/dbraw/zinc/22/14/85/1069221485.db2.gz RMPIDLQEKKFLNX-NRFANRHFSA-N 1 0 482.673 3.416 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCc1ccc2c(c1)CCO2 ZINC001305759504 1069221600 /nfs/dbraw/zinc/22/16/00/1069221600.db2.gz QQYACENZJUKQNE-UHFFFAOYSA-N 1 0 468.646 3.341 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001305761238 1069227157 /nfs/dbraw/zinc/22/71/57/1069227157.db2.gz JGPFNAHWOZVIAO-NRFANRHFSA-N 1 0 481.689 3.473 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CC[N@H+](C)C1CCCCC1 ZINC001305764127 1069233489 /nfs/dbraw/zinc/23/34/89/1069233489.db2.gz JOEWMRPTKNFQAR-KNQAVFIVSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305765659 1069236211 /nfs/dbraw/zinc/23/62/11/1069236211.db2.gz WHPHDZBNVNSDAN-FQEVSTJZSA-N 1 0 462.683 3.304 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C[C@@]1(O)CCSC1 ZINC001305766903 1069238297 /nfs/dbraw/zinc/23/82/97/1069238297.db2.gz AXWKZWBOHUCTOY-DFIYOIEZSA-N 1 0 492.734 3.155 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001305767363 1069238726 /nfs/dbraw/zinc/23/87/26/1069238726.db2.gz OYJRTDHYUBIPMR-HSZRJFAPSA-N 1 0 482.673 3.438 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)o2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305768578 1069242138 /nfs/dbraw/zinc/24/21/38/1069242138.db2.gz CYLOEVNYXQPIOK-OAQYLSRUSA-N 1 0 485.677 3.465 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCn1ccnc1C ZINC001305769280 1069243571 /nfs/dbraw/zinc/24/35/71/1069243571.db2.gz PPYCSUPOUUCKHY-QFIPXVFZSA-N 1 0 484.693 3.350 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001305769421 1069244636 /nfs/dbraw/zinc/24/46/36/1069244636.db2.gz CJBXKUIRRHOEDC-GHTZIAJQSA-N 1 0 460.667 3.465 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001305770967 1069247581 /nfs/dbraw/zinc/24/75/81/1069247581.db2.gz KAPNRUNVZMNGSC-HSZRJFAPSA-N 1 0 468.646 3.456 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305773765 1069253662 /nfs/dbraw/zinc/25/36/62/1069253662.db2.gz DPWSUFUJDJWGEK-UHFFFAOYSA-N 1 0 460.667 3.204 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001305776646 1069261081 /nfs/dbraw/zinc/26/10/81/1069261081.db2.gz PIRKJZHMQCFDQF-UHFFFAOYSA-N 1 0 487.615 3.145 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@H]1CC=CCO1 ZINC001305777169 1069261754 /nfs/dbraw/zinc/26/17/54/1069261754.db2.gz UUCBAJGMZIDCQF-HSZRJFAPSA-N 1 0 466.630 3.254 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccn(Cc2ccccc2)n1 ZINC001305777183 1069262280 /nfs/dbraw/zinc/26/22/80/1069262280.db2.gz VDEVJZCJXCILMV-UHFFFAOYSA-N 1 0 492.672 3.410 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001305777530 1069263306 /nfs/dbraw/zinc/26/33/06/1069263306.db2.gz KQPCAQYPBIXVCQ-SJBKTWHCSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1CC[N@H+](CC)C(C)C ZINC001305778285 1069265677 /nfs/dbraw/zinc/26/56/77/1069265677.db2.gz APCCIQUDVKMETN-UHFFFAOYSA-N 1 0 489.709 3.298 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001305778680 1069266721 /nfs/dbraw/zinc/26/67/21/1069266721.db2.gz HLKCDEQNVFXROT-UHFFFAOYSA-N 1 0 455.651 3.036 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1noc2c1CCCC2 ZINC001305779606 1069269123 /nfs/dbraw/zinc/26/91/23/1069269123.db2.gz NVBGYNANYQNHPB-UHFFFAOYSA-N 1 0 457.623 3.032 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001305784700 1069281962 /nfs/dbraw/zinc/28/19/62/1069281962.db2.gz SGUXKCMUUZIARP-JOCHJYFZSA-N 1 0 482.677 3.183 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001305785014 1069283429 /nfs/dbraw/zinc/28/34/29/1069283429.db2.gz DWNUHHBEIRIKCF-UHFFFAOYSA-N 1 0 472.609 3.261 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001305785012 1069283518 /nfs/dbraw/zinc/28/35/18/1069283518.db2.gz DUJZWCMPTGGNLF-IBGZPJMESA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(Cl)nc1 ZINC001305784981 1069283541 /nfs/dbraw/zinc/28/35/41/1069283541.db2.gz CRMLQJNTSQDFPA-UHFFFAOYSA-N 1 0 460.026 3.358 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC1(c2ccccc2OC)CC1 ZINC001305785300 1069285200 /nfs/dbraw/zinc/28/52/00/1069285200.db2.gz CPWBKBYZEDEVGF-LJQANCHMSA-N 1 0 468.646 3.467 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCNC(=O)OC(C)(C)C ZINC001305785635 1069286374 /nfs/dbraw/zinc/28/63/74/1069286374.db2.gz NTQJTCFSGOYTSU-GOSISDBHSA-N 1 0 491.681 3.032 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCc1ccccc1Cl ZINC001305785822 1069288371 /nfs/dbraw/zinc/28/83/71/1069288371.db2.gz QLQZAWIXLKGZLQ-UHFFFAOYSA-N 1 0 489.064 3.394 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1c(C)nn(C)c1C ZINC001305786210 1069289614 /nfs/dbraw/zinc/28/96/14/1069289614.db2.gz CUHXLXVYPHKOGG-UHFFFAOYSA-N 1 0 498.701 3.021 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCc1nccs1 ZINC001305786337 1069290209 /nfs/dbraw/zinc/29/02/09/1069290209.db2.gz VCRTYQJRIFDCGA-UHFFFAOYSA-N 1 0 459.664 3.350 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(C)s1 ZINC001305786480 1069290767 /nfs/dbraw/zinc/29/07/67/1069290767.db2.gz VSRVOQFVRIBRRR-QGZVFWFLSA-N 1 0 474.675 3.304 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@]1(O)CCCC1(C)C ZINC001305786598 1069291224 /nfs/dbraw/zinc/29/12/24/1069291224.db2.gz WROSUFHQYQLABY-NIYFSFCBSA-N 1 0 474.694 3.448 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC(=O)N1CCCCC1 ZINC001305786808 1069292060 /nfs/dbraw/zinc/29/20/60/1069292060.db2.gz ARDLKIBQHWAUAA-UHFFFAOYSA-N 1 0 489.709 3.157 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C/C=C/c1ccccc1 ZINC001305787549 1069293540 /nfs/dbraw/zinc/29/35/40/1069293540.db2.gz KNAHEHOCJUVTIG-YVWYTEFXSA-N 1 0 466.630 3.068 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1c(C)cc(C)cc1C ZINC001305787851 1069295068 /nfs/dbraw/zinc/29/50/68/1069295068.db2.gz NXQKHUVQNKFPIZ-QFIPXVFZSA-N 1 0 482.673 3.329 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001305788190 1069296211 /nfs/dbraw/zinc/29/62/11/1069296211.db2.gz SCCGCPQENSNQDG-UHFFFAOYSA-N 1 0 487.718 3.456 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1cc(F)cc(OC)c1 ZINC001305788398 1069296814 /nfs/dbraw/zinc/29/68/14/1069296814.db2.gz KPRFACHLNNKGHX-FQEVSTJZSA-N 1 0 458.582 3.067 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001305790227 1069301192 /nfs/dbraw/zinc/30/11/92/1069301192.db2.gz UGTXVFWWIAVABG-OFNKIYASSA-N 1 0 467.662 3.396 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001305790732 1069302419 /nfs/dbraw/zinc/30/24/19/1069302419.db2.gz XBKNTTVWNAELGW-PKTZIBPZSA-N 1 0 495.672 3.057 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001305790731 1069302444 /nfs/dbraw/zinc/30/24/44/1069302444.db2.gz XBKNTTVWNAELGW-GOTSBHOMSA-N 1 0 495.672 3.057 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCC3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001305791083 1069302747 /nfs/dbraw/zinc/30/27/47/1069302747.db2.gz IKMJAQQRMACIGT-FQEVSTJZSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001305791154 1069303461 /nfs/dbraw/zinc/30/34/61/1069303461.db2.gz LUJCZTVMYDTZFQ-HKUYNNGSSA-N 1 0 488.599 3.332 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001305792092 1069305139 /nfs/dbraw/zinc/30/51/39/1069305139.db2.gz QMKURJYPENQNNZ-VXKWHMMOSA-N 1 0 472.609 3.398 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305792177 1069305441 /nfs/dbraw/zinc/30/54/41/1069305441.db2.gz RUVPWLSVFNSWCP-IBVKSMDESA-N 1 0 468.646 3.290 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001305792711 1069307147 /nfs/dbraw/zinc/30/71/47/1069307147.db2.gz VDRYUFOSUGMPFO-HXUWFJFHSA-N 1 0 496.578 3.464 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305792842 1069307206 /nfs/dbraw/zinc/30/72/06/1069307206.db2.gz CDNXVPMWJZVASD-WOJBJXKFSA-N 1 0 489.690 3.414 20 0 JGADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390048 718823732 /nfs/dbraw/zinc/82/37/32/718823732.db2.gz LHIRYFVJMBFGJL-HZPDHXFCSA-N 1 0 473.307 3.252 20 0 JGADRO OC[C@@]12C[NH2+]C[C@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164402604 718853498 /nfs/dbraw/zinc/85/34/98/718853498.db2.gz GNWAXBZLHGMTKY-HJPURHCSSA-N 1 0 455.653 3.424 20 0 JGADRO F[C@]1(N2CCO[C@H]3C[NH2+]CC[C@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164404771 718863081 /nfs/dbraw/zinc/86/30/81/718863081.db2.gz PMFWDVYWGLJZGG-ZJBJCVSYSA-N 1 0 466.388 3.232 20 0 JGADRO F[C@]1(N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164404770 718863263 /nfs/dbraw/zinc/86/32/63/718863263.db2.gz PMFWDVYWGLJZGG-NRJQMVOHSA-N 1 0 466.388 3.232 20 0 JGADRO F[C@]1(N2CCCO[C@]3(C[NH2+]CCOC3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164422815 718914925 /nfs/dbraw/zinc/91/49/25/718914925.db2.gz BITVGIWQARGAQL-PKTZIBPZSA-N 1 0 496.414 3.002 20 0 JGADRO Cc1cccc(CN2C(=O)COC3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)[C@H]2C)n1 ZINC001164430753 718951036 /nfs/dbraw/zinc/95/10/36/718951036.db2.gz XRHZDHRRDLLGQH-JOCHJYFZSA-N 1 0 479.625 3.046 20 0 JGADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164432387 718969087 /nfs/dbraw/zinc/96/90/87/718969087.db2.gz HCRJCNCWBPNRCJ-YADHBBJMSA-N 1 0 495.933 3.167 20 0 JGADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164432386 718969309 /nfs/dbraw/zinc/96/93/09/718969309.db2.gz HCRJCNCWBPNRCJ-VXKWHMMOSA-N 1 0 495.933 3.167 20 0 JGADRO [NH3+][C@@H]1[C@H]2CN(C(F)(F)c3cccc(S(=O)(=O)Nc4nc5ccccc5nc4Cl)c3)C[C@H]21 ZINC001164440666 718986045 /nfs/dbraw/zinc/98/60/45/718986045.db2.gz QELRWUHTWSDBEK-HALDLXJZSA-N 1 0 465.913 3.022 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)C2 ZINC001164615555 719008789 /nfs/dbraw/zinc/00/87/89/719008789.db2.gz IPCCXAGGTUPYJQ-KKSFZXQISA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)C2 ZINC001164619293 719009764 /nfs/dbraw/zinc/00/97/64/719009764.db2.gz VMGHLJHOEIYKBA-IIBYNOLFSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)C2 ZINC001164619290 719009882 /nfs/dbraw/zinc/00/98/82/719009882.db2.gz VMGHLJHOEIYKBA-IERDGZPVSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164615594 719010645 /nfs/dbraw/zinc/01/06/45/719010645.db2.gz JBRXTRNKOPXJMT-XOBRGWDASA-N 1 0 453.921 3.306 20 0 JGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC001164619782 719018189 /nfs/dbraw/zinc/01/81/89/719018189.db2.gz XAQPCPDJBNOIND-YTQUADARSA-N 1 0 451.596 3.150 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc(OC)c2)nnc1Cl ZINC001164615657 719019629 /nfs/dbraw/zinc/01/96/29/719019629.db2.gz JMPSNNRYXDQDRK-BVGQSLNGSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccc(OC)cc2)nnc1Cl ZINC001164617478 719019682 /nfs/dbraw/zinc/01/96/82/719019682.db2.gz OIVRHWOVDMLPOZ-JEBQAFNWSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)c12 ZINC001164618679 719021508 /nfs/dbraw/zinc/02/15/08/719021508.db2.gz SFNZJMXJVILTSA-UHFFFAOYSA-N 1 0 479.581 3.303 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4cc(C(=O)OC)ccc4nc3Cl)CC2)CC1 ZINC001164614405 719022350 /nfs/dbraw/zinc/02/23/50/719022350.db2.gz SFWHUCHIOAFYND-UHFFFAOYSA-N 1 0 460.962 3.314 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4c(n3)N(C3CCCC3)[C@@H](CC)C(=O)N4)CC2)CC1 ZINC001164617923 719026576 /nfs/dbraw/zinc/02/65/76/719026576.db2.gz SAEHMXMQSYQUAI-QFIPXVFZSA-N 1 0 484.645 3.200 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)CC2)CC1 ZINC001164618551 719032112 /nfs/dbraw/zinc/03/21/12/719032112.db2.gz UOBZMCIBGZXWPC-UHFFFAOYSA-N 1 0 478.641 3.047 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4cc(OC)ccc4OC)nn3)CC2)CC1 ZINC001164616457 719033323 /nfs/dbraw/zinc/03/33/23/719033323.db2.gz CNOCMBVRPWCULY-UHFFFAOYSA-N 1 0 454.571 3.405 20 0 JGADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164633755 719138420 /nfs/dbraw/zinc/13/84/20/719138420.db2.gz SOWPRVYHZZPYGY-CQSZACIVSA-N 1 0 450.795 3.312 20 0 JGADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)n1 ZINC001164654461 719327179 /nfs/dbraw/zinc/32/71/79/719327179.db2.gz LZUVJHAYRYHMFG-UHFFFAOYSA-N 1 0 498.634 3.020 20 0 JGADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164660742 719352540 /nfs/dbraw/zinc/35/25/40/719352540.db2.gz YIZUKUGKSPUGHS-UHFFFAOYSA-N 1 0 472.641 3.099 20 0 JGADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2ncn3Cc2ccccc2)c2c1CC[NH2+]C2 ZINC001164683946 719612685 /nfs/dbraw/zinc/61/26/85/719612685.db2.gz LQLWONFTBKRZFJ-UHFFFAOYSA-N 1 0 450.978 3.200 20 0 JGADRO CCN(C)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680983 719655075 /nfs/dbraw/zinc/65/50/75/719655075.db2.gz KOYRSOHFJXXCHU-HXUWFJFHSA-N 1 0 450.631 3.026 20 0 JGADRO Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1N1CCCC1 ZINC001164681905 719655592 /nfs/dbraw/zinc/65/55/92/719655592.db2.gz SKAXKVTYZLBOCH-JOCHJYFZSA-N 1 0 476.669 3.479 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(CN4CCOCC4)cn3)CC2)c2ccccc21 ZINC001164682668 719658806 /nfs/dbraw/zinc/65/88/06/719658806.db2.gz STNMJZPOEOMSTQ-XMMPIXPASA-N 1 0 491.680 3.007 20 0 JGADRO CCOC(=O)c1cnc(C)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681455 719664027 /nfs/dbraw/zinc/66/40/27/719664027.db2.gz PNRDWAKRFSHSNJ-HXUWFJFHSA-N 1 0 479.625 3.055 20 0 JGADRO COC(=O)c1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(F)c1 ZINC001164680421 719665786 /nfs/dbraw/zinc/66/57/86/719665786.db2.gz DVJWLWYEYQXCTO-SFHVURJKSA-N 1 0 468.573 3.101 20 0 JGADRO COc1cc(OC)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164683296 719667906 /nfs/dbraw/zinc/66/79/06/719667906.db2.gz RKHLDNFKTJAGDM-IBGZPJMESA-N 1 0 452.599 3.192 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)CC2)c2ccccc21 ZINC001164681204 719670059 /nfs/dbraw/zinc/67/00/59/719670059.db2.gz KMXFFUBJNHPLBE-QGZVFWFLSA-N 1 0 482.028 3.323 20 0 JGADRO CCN(CC)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164685524 719674094 /nfs/dbraw/zinc/67/40/94/719674094.db2.gz VEXLVQGFELVVFE-OAQYLSRUSA-N 1 0 464.658 3.416 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4c3ncn4C3CC3)CC2)c2ccccc21 ZINC001164682092 719678827 /nfs/dbraw/zinc/67/88/27/719678827.db2.gz PANFBLVMKNOZGX-IBGZPJMESA-N 1 0 473.625 3.255 20 0 JGADRO COc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2c1ccn2C ZINC001164685654 719682784 /nfs/dbraw/zinc/68/27/84/719682784.db2.gz LNUAFNOTAFVRPU-LJQANCHMSA-N 1 0 476.625 3.070 20 0 JGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)CC2 ZINC001164683659 719727557 /nfs/dbraw/zinc/72/75/57/719727557.db2.gz BQCGQZQGFBSRGG-UHFFFAOYSA-N 1 0 480.009 3.046 20 0 JGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)CC2 ZINC001164689377 719743127 /nfs/dbraw/zinc/74/31/27/719743127.db2.gz DEJKVNZZSYFSLY-UHFFFAOYSA-N 1 0 462.623 3.423 20 0 JGADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(S(=O)(=O)N4CCCC4)cn2)CC3)cs1 ZINC001164692714 719813732 /nfs/dbraw/zinc/81/37/32/719813732.db2.gz RENWTMIBVGAVAU-UHFFFAOYSA-N 1 0 461.657 3.266 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cnccn3)C2)nc1 ZINC001164716326 720055900 /nfs/dbraw/zinc/05/59/00/720055900.db2.gz VLFWAOBONXQMBX-ITAIVJFTSA-N 1 0 464.614 3.222 20 0 JGADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(-n3nc(COC)c4c3C[NH2+]C4)c2c1C ZINC001164709261 720079744 /nfs/dbraw/zinc/07/97/44/720079744.db2.gz CPQSCFXKKTUSGP-UHFFFAOYSA-N 1 0 470.599 3.098 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1cc(C)n3S(=O)(=O)c1ccccc1)C2 ZINC001164815812 720088326 /nfs/dbraw/zinc/08/83/26/720088326.db2.gz ZUWLBTFBTYEMDT-RLWLMLJZSA-N 1 0 495.649 3.161 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1cc(C)n3S(=O)(=O)c1ccccc1)C2 ZINC001164815809 720088715 /nfs/dbraw/zinc/08/87/15/720088715.db2.gz ZUWLBTFBTYEMDT-HFZDXXHNSA-N 1 0 495.649 3.161 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164710771 720095490 /nfs/dbraw/zinc/09/54/90/720095490.db2.gz MIOLZOGCQHGGTK-GOSISDBHSA-N 1 0 459.978 3.209 20 0 JGADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164816443 720115348 /nfs/dbraw/zinc/11/53/48/720115348.db2.gz YTWCCGTXNCRHGD-YCRPNKLZSA-N 1 0 455.024 3.213 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)C2 ZINC001164814955 720118086 /nfs/dbraw/zinc/11/80/86/720118086.db2.gz USNSBCZLXIUNKA-KBMIEXCESA-N 1 0 455.603 3.163 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)CC2 ZINC001164715008 720156751 /nfs/dbraw/zinc/15/67/51/720156751.db2.gz RZVBVCPCUXFOGI-IEBWSBKVSA-N 1 0 474.005 3.309 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164815703 720168308 /nfs/dbraw/zinc/16/83/08/720168308.db2.gz IWTCCUCYMSJZPD-HRFSGMKKSA-N 1 0 497.709 3.197 20 0 JGADRO COc1ccc2c(c1)nc(Cl)cc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715895 720181885 /nfs/dbraw/zinc/18/18/85/720181885.db2.gz DERBPFJPHKDWBA-OAQYLSRUSA-N 1 0 456.978 3.242 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)C2 ZINC001164813745 720182102 /nfs/dbraw/zinc/18/21/02/720182102.db2.gz DWOWUVPJFXWXPE-HOYKHHGWSA-N 1 0 492.592 3.345 20 0 JGADRO Cc1cc2nc(Cl)c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2cc1C ZINC001164719609 720187881 /nfs/dbraw/zinc/18/78/81/720187881.db2.gz WPWHDLYIUPEXMJ-FQEVSTJZSA-N 1 0 455.994 3.245 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715883 720188200 /nfs/dbraw/zinc/18/82/00/720188200.db2.gz CWDTVSAPUTVVSX-LJQANCHMSA-N 1 0 477.947 3.173 20 0 JGADRO Cn1nnc2c1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)[C@H]2COCC[NH+]1CCCC1 ZINC001164716542 720188323 /nfs/dbraw/zinc/18/83/23/720188323.db2.gz GUWCCPQKUKMHPR-IBGZPJMESA-N 1 0 477.009 3.035 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(OC)c(OC)c3OC)nn1)C2 ZINC001164819179 720188391 /nfs/dbraw/zinc/18/83/91/720188391.db2.gz WJVVZSBXCYLCIL-NIYFSFCBSA-N 1 0 468.598 3.354 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717123 720190418 /nfs/dbraw/zinc/19/04/18/720190418.db2.gz SJAGBKWOMLMHCV-KRWDZBQOSA-N 1 0 499.082 3.170 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713341 720192433 /nfs/dbraw/zinc/19/24/33/720192433.db2.gz BILOCDLNHLWYPE-INIZCTEOSA-N 1 0 465.936 3.106 20 0 JGADRO Cn1nnc2c1CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717622 720196945 /nfs/dbraw/zinc/19/69/45/720196945.db2.gz VJTWAVXMPBRDFX-JOCHJYFZSA-N 1 0 496.015 3.332 20 0 JGADRO Cn1nnc2c1CCN(c1ccc(-c3cccc(Cl)c3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717718 720197437 /nfs/dbraw/zinc/19/74/37/720197437.db2.gz WLNSNPQPQJTHAI-OAQYLSRUSA-N 1 0 453.978 3.142 20 0 JGADRO Cn1nnc2c1CCN(c1c(Cl)ccc3c(Cl)ncnc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716749 720206371 /nfs/dbraw/zinc/20/63/71/720206371.db2.gz DURFWYOUZZWUJP-QGZVFWFLSA-N 1 0 462.385 3.281 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CCC2 ZINC001164814908 720217885 /nfs/dbraw/zinc/21/78/85/720217885.db2.gz ZVJGVUCWKJBPFJ-UHFFFAOYSA-N 1 0 494.043 3.453 20 0 JGADRO COc1cc2nc(Cl)c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc2cc1OC ZINC001164812865 720223843 /nfs/dbraw/zinc/22/38/43/720223843.db2.gz JUBQUGXWKMMVGS-UHFFFAOYSA-N 1 0 472.977 3.108 20 0 JGADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164814108 720227119 /nfs/dbraw/zinc/22/71/19/720227119.db2.gz UILXVGOXFRSLSV-UHFFFAOYSA-N 1 0 461.010 3.024 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CCC2 ZINC001164817472 720241595 /nfs/dbraw/zinc/24/15/95/720241595.db2.gz RLCQHXRXTSDYGC-UHFFFAOYSA-N 1 0 479.919 3.137 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CCC2 ZINC001164818291 720243681 /nfs/dbraw/zinc/24/36/81/720243681.db2.gz YIQFWLFLCVPNMD-UHFFFAOYSA-N 1 0 461.994 3.498 20 0 JGADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1Cl ZINC001164819239 720305165 /nfs/dbraw/zinc/30/51/65/720305165.db2.gz CYMGRHUPFLJBQJ-IRXDYDNUSA-N 1 0 469.413 3.477 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c(Cl)nc(Cl)nc32)CC1 ZINC001164820495 720306352 /nfs/dbraw/zinc/30/63/52/720306352.db2.gz HFWPEGNSLFVRIL-STQMWFEESA-N 1 0 484.819 3.292 20 0 JGADRO COc1cc2nc(Cl)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC ZINC001164824501 720310111 /nfs/dbraw/zinc/31/01/11/720310111.db2.gz RGPYEOSWJOHYPE-MOPGFXCFSA-N 1 0 474.005 3.212 20 0 JGADRO CCOc1cc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OCC ZINC001164833416 720319446 /nfs/dbraw/zinc/31/94/46/720319446.db2.gz WZQWLXOCJRVHFC-FGZHOGPDSA-N 1 0 467.614 3.339 20 0 JGADRO COc1cc2nc(Cl)c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2cc1OC ZINC001164831429 720320583 /nfs/dbraw/zinc/32/05/83/720320583.db2.gz SADCCXXQTZJGET-MOPGFXCFSA-N 1 0 474.005 3.212 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(-c3nc(C(C)(C)C)no3)ccn2)CC1 ZINC001164832935 720333147 /nfs/dbraw/zinc/33/31/47/720333147.db2.gz UYFOQBRMCZFERR-UXHICEINSA-N 1 0 452.603 3.341 20 0 JGADRO COc1ccc(OC)c(-c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)c1 ZINC001164829253 720345752 /nfs/dbraw/zinc/34/57/52/720345752.db2.gz QZUYZUMJNSDQIE-DHIUTWEWSA-N 1 0 465.598 3.072 20 0 JGADRO COc1ccc(CN(C)c2ccnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164822303 720350494 /nfs/dbraw/zinc/35/04/94/720350494.db2.gz DHLSAXCKYAUJRU-BJKOFHAPSA-N 1 0 478.641 3.033 20 0 JGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)CC[C@@H]21 ZINC001164835251 720606549 /nfs/dbraw/zinc/60/65/49/720606549.db2.gz ATZXMTYFLSNHTA-RNXOBYDBSA-N 1 0 486.668 3.378 20 0 JGADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746243 720643922 /nfs/dbraw/zinc/64/39/22/720643922.db2.gz WJUNUQIXJQJCGM-LEWJYISDSA-N 1 0 484.560 3.349 20 0 JGADRO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842532 720645166 /nfs/dbraw/zinc/64/51/66/720645166.db2.gz RVJHBOLQWKAHTL-RRFJBIMHSA-N 1 0 453.374 3.144 20 0 JGADRO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)n1 ZINC001164842539 720645879 /nfs/dbraw/zinc/64/58/79/720645879.db2.gz RVJHBOLQWKAHTL-SOUVJXGZSA-N 1 0 453.374 3.144 20 0 JGADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1C(=O)OCC ZINC001164843737 720649496 /nfs/dbraw/zinc/64/94/96/720649496.db2.gz XIMSFFALUUGGMX-XQBPLPMBSA-N 1 0 469.586 3.009 20 0 JGADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843351 720685904 /nfs/dbraw/zinc/68/59/04/720685904.db2.gz OJCGBJZAWMNRJE-LJQANCHMSA-N 1 0 458.990 3.496 20 0 JGADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843866 720691860 /nfs/dbraw/zinc/69/18/60/720691860.db2.gz RMLFAQKHMBSYGN-LJQANCHMSA-N 1 0 458.990 3.496 20 0 JGADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164840551 720700033 /nfs/dbraw/zinc/70/00/33/720700033.db2.gz GMGWAGGFADHGMP-IBGZPJMESA-N 1 0 499.015 3.303 20 0 JGADRO COC(=O)C1CCN(c2nccnc2N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001164845230 720701458 /nfs/dbraw/zinc/70/14/58/720701458.db2.gz XAFQOGPECWGLPV-HSZRJFAPSA-N 1 0 479.625 3.126 20 0 JGADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164843359 720702101 /nfs/dbraw/zinc/70/21/01/720702101.db2.gz OLKPBDBWXHTZBS-QFIPXVFZSA-N 1 0 470.639 3.126 20 0 JGADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c2c1C ZINC001164838097 720739895 /nfs/dbraw/zinc/73/98/95/720739895.db2.gz RRYCOQVXHLLGNX-UHFFFAOYSA-N 1 0 481.670 3.389 20 0 JGADRO c1nc2n(c1-c1cccnc1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)C21CC[NH2+]CC1 ZINC001164844372 720742370 /nfs/dbraw/zinc/74/23/70/720742370.db2.gz QJNQLLJYIKMNBO-UHFFFAOYSA-N 1 0 492.631 3.392 20 0 JGADRO 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JTHBYPJWPIQZSZ-UHFFFAOYSA-N 1 0 489.605 3.084 20 0 JGADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3cc(OCc4ccccc4)ccc31)CC2 ZINC001164753763 720968467 /nfs/dbraw/zinc/96/84/67/720968467.db2.gz JYRDSPHKPWULKY-UHFFFAOYSA-N 1 0 472.549 3.051 20 0 JGADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)[C@@H]2C ZINC001164862299 721012480 /nfs/dbraw/zinc/01/24/80/721012480.db2.gz PWMMHQXCDVUDIV-OAQYLSRUSA-N 1 0 460.630 3.421 20 0 JGADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866904 721060729 /nfs/dbraw/zinc/06/07/29/721060729.db2.gz GXEQOGOQGAIFLA-ROUUACIJSA-N 1 0 464.948 3.150 20 0 JGADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866530 721068052 /nfs/dbraw/zinc/06/80/52/721068052.db2.gz FCMLZWKKADJRIH-LEWJYISDSA-N 1 0 475.984 3.403 20 0 JGADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864547 721085900 /nfs/dbraw/zinc/08/59/00/721085900.db2.gz GFGAWRQMTCISEB-IPMKNSEASA-N 1 0 469.977 3.054 20 0 JGADRO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864545 721086572 /nfs/dbraw/zinc/08/65/72/721086572.db2.gz GFGAWRQMTCISEB-GUDVDZBRSA-N 1 0 469.977 3.054 20 0 JGADRO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864552 721086675 /nfs/dbraw/zinc/08/66/75/721086675.db2.gz GFGAWRQMTCISEB-QRVBRYPASA-N 1 0 469.977 3.054 20 0 JGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C[C@@H]3C2)cn1 ZINC001164773769 721097047 /nfs/dbraw/zinc/09/70/47/721097047.db2.gz YEYQINMXYQXRBN-RYUDHWBXSA-N 1 0 453.765 3.072 20 0 JGADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164765315 721101087 /nfs/dbraw/zinc/10/10/87/721101087.db2.gz IXJRKAOZXVTNIZ-NHCUHLMSSA-N 1 0 464.017 3.338 20 0 JGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164765320 721101356 /nfs/dbraw/zinc/10/13/56/721101356.db2.gz IXJRKAOZXVTNIZ-SFTDATJTSA-N 1 0 464.017 3.338 20 0 JGADRO Fc1cccc(Oc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164866355 721112019 /nfs/dbraw/zinc/11/20/19/721112019.db2.gz SOJUNAUDRZQXHO-IEBWSBKVSA-N 1 0 456.909 3.331 20 0 JGADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CCc2ccccc21 ZINC001164872224 721140224 /nfs/dbraw/zinc/14/02/24/721140224.db2.gz GZLHBPBNPNXCJC-DHIUTWEWSA-N 1 0 455.562 3.159 20 0 JGADRO O=C(NC1CCCC1)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164876996 721151787 /nfs/dbraw/zinc/15/17/87/721151787.db2.gz NMFVIKIDGAZKGI-SFTDATJTSA-N 1 0 455.990 3.282 20 0 JGADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)C[C@H]3C2)cn1 ZINC001164774409 721190839 /nfs/dbraw/zinc/19/08/39/721190839.db2.gz YZRUTWSOKAIPGQ-ZWKOTPCHSA-N 1 0 459.932 3.429 20 0 JGADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868414 721197956 /nfs/dbraw/zinc/19/79/56/721197956.db2.gz MRICSYYYBITVMV-HUUCEWRRSA-N 1 0 466.945 3.245 20 0 JGADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164867027 721199454 /nfs/dbraw/zinc/19/94/54/721199454.db2.gz DNIBGPRODKOBMF-UHFFFAOYSA-N 1 0 481.604 3.125 20 0 JGADRO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164871718 721224592 /nfs/dbraw/zinc/22/45/92/721224592.db2.gz KUGFEVXPSFLVFF-QFIPXVFZSA-N 1 0 451.615 3.164 20 0 JGADRO COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164876203 721225425 /nfs/dbraw/zinc/22/54/25/721225425.db2.gz ZVUXPJDZAUTZSW-QFIPXVFZSA-N 1 0 451.615 3.164 20 0 JGADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)CC2)C1 ZINC001164869362 721270510 /nfs/dbraw/zinc/27/05/10/721270510.db2.gz LQYWJXPXRGVZTJ-UHFFFAOYSA-N 1 0 486.620 3.213 20 0 JGADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nnc(Cc4ccccc4)c4ccccc43)CC2)C1 ZINC001164875611 721284335 /nfs/dbraw/zinc/28/43/35/721284335.db2.gz XTMJEZSRWDZNLM-UHFFFAOYSA-N 1 0 473.621 3.228 20 0 JGADRO 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CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)nc1 ZINC001164877081 721323769 /nfs/dbraw/zinc/32/37/69/721323769.db2.gz JBFPYNYKDUGHKD-FEVSWUGISA-N 1 0 464.614 3.222 20 0 JGADRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164887558 721346239 /nfs/dbraw/zinc/34/62/39/721346239.db2.gz VOSPFKUDYUBZGP-DENIHFKCSA-N 1 0 466.960 3.168 20 0 JGADRO COc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2c(OC)c1 ZINC001164776466 721353785 /nfs/dbraw/zinc/35/37/85/721353785.db2.gz BXJPKABLPISXFT-RUZDIDTESA-N 1 0 467.570 3.371 20 0 JGADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780252 721361273 /nfs/dbraw/zinc/36/12/73/721361273.db2.gz DUCIKYLJMSOLNX-FGVDJBDDSA-N 1 0 479.581 3.473 20 0 JGADRO COC(=O)c1cc2c[nH]c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc-2n1 ZINC001164780261 721362231 /nfs/dbraw/zinc/36/22/31/721362231.db2.gz FBTCDTWAKZZLHF-DEOSSOPVSA-N 1 0 453.543 3.073 20 0 JGADRO O=C1CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2N1c1cccc(F)c1 ZINC001164882242 721367709 /nfs/dbraw/zinc/36/77/09/721367709.db2.gz IBYWBLQRAGRLLB-WOJBJXKFSA-N 1 0 478.902 3.416 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)C3)O2)CC1 ZINC001164884354 721384247 /nfs/dbraw/zinc/38/42/47/721384247.db2.gz AJRJYRLSFDHSSD-KSSFIOAISA-N 1 0 450.361 3.094 20 0 JGADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883967 721407561 /nfs/dbraw/zinc/40/75/61/721407561.db2.gz CTUQUBBNPNAXDZ-AVRWGWEMSA-N 1 0 488.032 3.225 20 0 JGADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883977 721407829 /nfs/dbraw/zinc/40/78/29/721407829.db2.gz CTUQUBBNPNAXDZ-IQGLISFBSA-N 1 0 488.032 3.225 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5Cc4cccc(F)c4)C3)O2)CC1 ZINC001164885279 721416684 /nfs/dbraw/zinc/41/66/84/721416684.db2.gz GNASEHRVPZXMFT-YIXXDRMTSA-N 1 0 478.616 3.384 20 0 JGADRO CCOC(=O)c1cc2c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)[nH]c(C)c(C)c-2n1 ZINC001164888325 721420589 /nfs/dbraw/zinc/42/05/89/721420589.db2.gz OESQVLBDHCYARH-RXFWQSSRSA-N 1 0 469.630 3.122 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164887250 721422932 /nfs/dbraw/zinc/42/29/32/721422932.db2.gz LQGZKBLEDDSEAN-CVDCTZTESA-N 1 0 476.984 3.222 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164899500 721426061 /nfs/dbraw/zinc/42/60/61/721426061.db2.gz YSGCOGJCJMDBKE-DHLKQENFSA-N 1 0 456.034 3.486 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164891775 721428499 /nfs/dbraw/zinc/42/84/99/721428499.db2.gz HJFUKKPTUOUZFE-HNAYVOBHSA-N 1 0 464.388 3.180 20 0 JGADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)n1 ZINC001164892190 721430157 /nfs/dbraw/zinc/43/01/57/721430157.db2.gz HRJPYIFUOWBPQJ-VGOFRKELSA-N 1 0 486.991 3.222 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C3)O2)CC1 ZINC001164898206 721430860 /nfs/dbraw/zinc/43/08/60/721430860.db2.gz VMQJTRFXAOLKEB-AVRWGWEMSA-N 1 0 485.633 3.070 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C3)O2)CC1 ZINC001164898215 721430895 /nfs/dbraw/zinc/43/08/95/721430895.db2.gz VMQJTRFXAOLKEB-BVZFJXPGSA-N 1 0 485.633 3.070 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c(Cl)nccc54)C3)O2)CC1 ZINC001164893760 721431621 /nfs/dbraw/zinc/43/16/21/721431621.db2.gz KISDQPMATQSXFB-VFNWGFHPSA-N 1 0 451.402 3.097 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5cccnc5)nc5ccccc54)C3)O2)CC1 ZINC001164898648 721433519 /nfs/dbraw/zinc/43/35/19/721433519.db2.gz WILCMVGVDRUJEO-AMGIVPHBSA-N 1 0 458.610 3.457 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5cccnc5)nc5ccccc54)C3)O2)CC1 ZINC001164898651 721433548 /nfs/dbraw/zinc/43/35/48/721433548.db2.gz WILCMVGVDRUJEO-CUNXSJBXSA-N 1 0 458.610 3.457 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)O2)CC1 ZINC001164898316 721436628 /nfs/dbraw/zinc/43/66/28/721436628.db2.gz VQOFZPKNOKWORI-DYESRHJHSA-N 1 0 455.981 3.318 20 0 JGADRO CCN(c1ccccc1)c1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncn1 ZINC001164897869 721443491 /nfs/dbraw/zinc/44/34/91/721443491.db2.gz VBEJJEZJMIBUSA-OZXSUGGESA-N 1 0 450.631 3.400 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(-c5ccc(Cl)nc5)no4)C3)O2)CC1 ZINC001164894915 721444299 /nfs/dbraw/zinc/44/42/99/721444299.db2.gz NFJOXUCFBKGRKI-UWJYYQICSA-N 1 0 482.963 3.095 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1Cl)CC2 ZINC001164788589 721448332 /nfs/dbraw/zinc/44/83/32/721448332.db2.gz RPNZWTFQHVLYTK-IBGZPJMESA-N 1 0 451.995 3.256 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)ncc1C(=O)OC)CC2 ZINC001164788671 721450159 /nfs/dbraw/zinc/45/01/59/721450159.db2.gz SJYPVEBQXWPBQX-GOSISDBHSA-N 1 0 451.995 3.256 20 0 JGADRO CCOC(=O)c1cnc(Cl)nc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164790556 721450401 /nfs/dbraw/zinc/45/04/01/721450401.db2.gz ZEBHULYCXGRLDV-GOSISDBHSA-N 1 0 467.010 3.041 20 0 JGADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788731 721451270 /nfs/dbraw/zinc/45/12/70/721451270.db2.gz TVOONRLGJJATCJ-YVSHKSEASA-N 1 0 457.615 3.392 20 0 JGADRO CCOC(=O)/C=C\c1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788729 721451461 /nfs/dbraw/zinc/45/14/61/721451461.db2.gz TVOONRLGJJATCJ-UFTUAFODSA-N 1 0 457.615 3.392 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(Cl)(Cl)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164888982 721452867 /nfs/dbraw/zinc/45/28/67/721452867.db2.gz MWLUVHHTAKIBKP-HKUYNNGSSA-N 1 0 463.837 3.464 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164790044 721460008 /nfs/dbraw/zinc/46/00/08/721460008.db2.gz ZFULCHFDGXRZEF-JOCHJYFZSA-N 1 0 458.647 3.344 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)NC(C)(C)C)ccn1)CC2 ZINC001164782836 721463378 /nfs/dbraw/zinc/46/33/78/721463378.db2.gz CUWHIEROIOQPDW-QFIPXVFZSA-N 1 0 458.647 3.344 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1/C=C/C(=O)OC)CC2 ZINC001164784666 721463977 /nfs/dbraw/zinc/46/39/77/721463977.db2.gz JHCYRWFJMHMCBX-YQTDCCHMSA-N 1 0 457.615 3.310 20 0 JGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)nc1 ZINC001164894630 721471305 /nfs/dbraw/zinc/47/13/05/721471305.db2.gz PKUFRONAXWFSIX-NRFANRHFSA-N 1 0 476.581 3.119 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(OC)nc(Cl)n1)CC2 ZINC001164787145 721474155 /nfs/dbraw/zinc/47/41/55/721474155.db2.gz CQFRRPNLKANAHC-QGZVFWFLSA-N 1 0 474.980 3.417 20 0 JGADRO O=C([C@@H]1CCO[C@H]2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]12)N1CCCO1 ZINC001164792701 721480161 /nfs/dbraw/zinc/48/01/61/721480161.db2.gz OSPNOYBQJUNBIG-OYRHQHFDSA-N 1 0 462.594 3.035 20 0 JGADRO Clc1nc2c(c(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)n1)CN(Cc1ccccc1)CC2 ZINC001164793072 721483960 /nfs/dbraw/zinc/48/39/60/721483960.db2.gz RNYKWWROKQVAIL-QTEQDKRBSA-N 1 0 492.027 3.241 20 0 JGADRO Clc1nc2c(c(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)n1)CN(Cc1ccccc1)C2 ZINC001164789082 721484105 /nfs/dbraw/zinc/48/41/05/721484105.db2.gz ATJOWCAHALKTCQ-JQVVWYNYSA-N 1 0 478.000 3.198 20 0 JGADRO CCOC(=O)N1CCc2nnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)cc2C1 ZINC001164795726 721500957 /nfs/dbraw/zinc/50/09/57/721500957.db2.gz KYTCHEVULNPWGB-UHFFFAOYSA-N 1 0 450.587 3.267 20 0 JGADRO COc1ccc(-c2nc3ccc(F)cc3c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)n2)cc1 ZINC001164794340 721511400 /nfs/dbraw/zinc/51/14/00/721511400.db2.gz ONJDINBTCYDKKT-UHFFFAOYSA-N 1 0 487.583 3.409 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164900265 721512920 /nfs/dbraw/zinc/51/29/20/721512920.db2.gz PGIWVLNQZIJBOU-HOCLYGCPSA-N 1 0 470.879 3.333 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)nc(-c4ccccc4)n2)CC3)CC1 ZINC001164797161 721515795 /nfs/dbraw/zinc/51/57/95/721515795.db2.gz HPONFWGICLLIPZ-UHFFFAOYSA-N 1 0 473.959 3.306 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nnc(-c4ccc(F)cc4)c4ccccc42)CC3)CC1 ZINC001164797175 721519478 /nfs/dbraw/zinc/51/94/78/721519478.db2.gz HYTAHNMSUQPXIF-UHFFFAOYSA-N 1 0 457.557 3.400 20 0 JGADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912318 721534827 /nfs/dbraw/zinc/53/48/27/721534827.db2.gz YVOMXZGUFHKOSL-QUCCMNQESA-N 1 0 467.545 3.459 20 0 JGADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912319 721535389 /nfs/dbraw/zinc/53/53/89/721535389.db2.gz YVOMXZGUFHKOSL-UYAOXDASSA-N 1 0 467.545 3.459 20 0 JGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CC[N@@H+]3C2)c1 ZINC001164903072 721541306 /nfs/dbraw/zinc/54/13/06/721541306.db2.gz BZTAQFABVHXUOR-TZIWHRDSSA-N 1 0 462.504 3.495 20 0 JGADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164911556 721551302 /nfs/dbraw/zinc/55/13/02/721551302.db2.gz XJPOSWYGVKNYJH-IFMALSPDSA-N 1 0 493.564 3.149 20 0 JGADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164904185 721555955 /nfs/dbraw/zinc/55/59/55/721555955.db2.gz DGHCATDFOXCCCD-DSKINZAPSA-N 1 0 462.591 3.030 20 0 JGADRO COC(=O)C[C@H](c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1)C1CC1 ZINC001164807301 721574707 /nfs/dbraw/zinc/57/47/07/721574707.db2.gz SOBCNJPEGVTGFZ-LNEBKTTKSA-N 1 0 450.583 3.402 20 0 JGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164803404 721579048 /nfs/dbraw/zinc/57/90/48/721579048.db2.gz HZAQTQCLKVDOGK-OARDWFSCSA-N 1 0 485.636 3.066 20 0 JGADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@@]5(CCCN(c6cnccn6)C5)C4)ccc3C2)cc1 ZINC001164902248 721579621 /nfs/dbraw/zinc/57/96/21/721579621.db2.gz DSIIWRQHAIBRDI-HHHXNRCGSA-N 1 0 456.594 3.306 20 0 JGADRO COC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c2ccccc2c1OC ZINC001164807676 721585162 /nfs/dbraw/zinc/58/51/62/721585162.db2.gz PHFBJPSHMDIELV-ZFGGDYGUSA-N 1 0 462.550 3.293 20 0 JGADRO COC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c2ccccc2c1OC ZINC001164807672 721585427 /nfs/dbraw/zinc/58/54/27/721585427.db2.gz PHFBJPSHMDIELV-AWRGLXIESA-N 1 0 462.550 3.293 20 0 JGADRO COc1cccc(CN2C[C@H]3CCN(c4ccc(C[N@H+](C)C5CC5)cn4)CC[C@H]3S2(=O)=O)c1 ZINC001164801492 721592869 /nfs/dbraw/zinc/59/28/69/721592869.db2.gz FBKWATBWRVHJHI-ZJSXRUAMSA-N 1 0 470.639 3.115 20 0 JGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC001165008761 721731722 /nfs/dbraw/zinc/73/17/22/721731722.db2.gz QABXWOYVDOQNJQ-UHFFFAOYSA-N 1 0 483.060 3.211 20 0 JGADRO FC1(F)CCN(c2nc(Cl)cc(O[C@@H]3CCOC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911738 721737464 /nfs/dbraw/zinc/73/74/64/721737464.db2.gz KAQWQRBKTHVOMW-UTKZUKDTSA-N 1 0 465.932 3.430 20 0 JGADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)cc2C1 ZINC001164913159 721738755 /nfs/dbraw/zinc/73/87/55/721738755.db2.gz UQKRCGPJRLXJSI-KOSHJBKYSA-N 1 0 471.552 3.277 20 0 JGADRO C[NH+]1CCN(c2cccc(N3C[C@@H](c4ccccc4)[C@]4(CCN(c5cccnc5)C4=O)C3)n2)CC1 ZINC001164911767 721741444 /nfs/dbraw/zinc/74/14/44/721741444.db2.gz KHWBTZCQXZIFQJ-CUBQBAPOSA-N 1 0 468.605 3.256 20 0 JGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)c(F)cc2C(=O)NCc2cccs2)CC1 ZINC001165010548 721741443 /nfs/dbraw/zinc/74/14/43/721741443.db2.gz OKCGLKPDTLDUGI-UHFFFAOYSA-N 1 0 494.036 3.389 20 0 JGADRO COc1cccc(Oc2nc(Cl)ncc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC001165012195 721749405 /nfs/dbraw/zinc/74/94/05/721749405.db2.gz CASKYQUCYQIPPI-UHFFFAOYSA-N 1 0 459.978 3.454 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)nc1 ZINC001165013759 721760118 /nfs/dbraw/zinc/76/01/18/721760118.db2.gz RZWOXSOHYADLPQ-HSZRJFAPSA-N 1 0 464.614 3.320 20 0 JGADRO c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164914372 721796007 /nfs/dbraw/zinc/79/60/07/721796007.db2.gz MPCXVBPGQSTOBH-HHHXNRCGSA-N 1 0 459.594 3.338 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@H]3C2)nc1 ZINC001165027246 721796849 /nfs/dbraw/zinc/79/68/49/721796849.db2.gz UVRTXDXZEOLVLZ-TZRRMPRUSA-N 1 0 450.583 3.253 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCC(=O)N(Cc4ccc(OC)cc4)[C@H]3C2)nc1 ZINC001165027244 721797091 /nfs/dbraw/zinc/79/70/91/721797091.db2.gz UVRTXDXZEOLVLZ-SGNDLWITSA-N 1 0 450.583 3.253 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)C[C@@H]21 ZINC001165020363 721806843 /nfs/dbraw/zinc/80/68/43/721806843.db2.gz FGOVSPYODYERDD-YZGWKJHDSA-N 1 0 465.627 3.055 20 0 JGADRO COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001165020785 721823026 /nfs/dbraw/zinc/82/30/26/721823026.db2.gz DUFVIYRRWGMEOU-BVSLBCMMSA-N 1 0 451.619 3.393 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@H]21 ZINC001165021481 721823044 /nfs/dbraw/zinc/82/30/44/721823044.db2.gz FUFXNEWKZDYECF-MDNUFGMLSA-N 1 0 462.646 3.204 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C[C@H]21 ZINC001165030158 721823909 /nfs/dbraw/zinc/82/39/09/721823909.db2.gz YBQVNARXBURQSO-TUACAJSNSA-N 1 0 469.655 3.388 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C[C@H]21 ZINC001165030155 721823975 /nfs/dbraw/zinc/82/39/75/721823975.db2.gz YBQVNARXBURQSO-AGILITTLSA-N 1 0 469.655 3.388 20 0 JGADRO CCOC(=O)N1CCc2nnc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc2C1 ZINC001165027698 721824261 /nfs/dbraw/zinc/82/42/61/721824261.db2.gz TUCFGORMIOGACD-ZEYPLWLESA-N 1 0 450.587 3.123 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCCCC3)C[C@@H]21 ZINC001165029571 721827219 /nfs/dbraw/zinc/82/72/19/721827219.db2.gz XFQPYWPUZKMGQC-AKIFATBCSA-N 1 0 469.655 3.388 20 0 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CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)COC)CC1)[NH+]1CCCC1 ZINC001305815218 1069348080 /nfs/dbraw/zinc/34/80/80/1069348080.db2.gz KDPOLTFHQPHENO-OAQYLSRUSA-N 1 0 475.037 3.204 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH+]2CCCCC2)CC1)OC ZINC001305817454 1069351390 /nfs/dbraw/zinc/35/13/90/1069351390.db2.gz YJDFKTKDQWDXKZ-OAQYLSRUSA-N 1 0 475.659 3.228 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001305816435 1069349820 /nfs/dbraw/zinc/34/98/20/1069349820.db2.gz STOOJFUREHGLLO-RXVVDRJESA-N 1 0 495.093 3.239 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C[C@H]1CCCO1)[NH+]1CCCC1 ZINC001305816470 1069350227 /nfs/dbraw/zinc/35/02/27/1069350227.db2.gz SSSRMGCXDPHDAX-LEWJYISDSA-N 1 0 475.659 3.228 20 0 JGADRO CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001305818393 1069353214 /nfs/dbraw/zinc/35/32/14/1069353214.db2.gz AYCXBDWPLIIZFB-NHCUHLMSSA-N 1 0 453.635 3.346 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS(=O)CC1)[NH+]1CCCC1 ZINC001305819145 1069354303 /nfs/dbraw/zinc/35/43/03/1069354303.db2.gz ADZFKHIJJUFNGE-MRXNPFEDSA-N 1 0 484.439 3.290 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305822592 1069358998 /nfs/dbraw/zinc/35/89/98/1069358998.db2.gz LUMHVFSODRINKS-RBUKOAKNSA-N 1 0 486.617 3.114 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCCC1 ZINC001305823747 1069360277 /nfs/dbraw/zinc/36/02/77/1069360277.db2.gz QBBIWPJDXCXQSS-IBGZPJMESA-N 1 0 453.591 3.207 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCCC1 ZINC001305823749 1069360395 /nfs/dbraw/zinc/36/03/95/1069360395.db2.gz QBBIWPJDXCXQSS-LJQANCHMSA-N 1 0 453.591 3.207 20 0 JGADRO CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001305824595 1069361831 /nfs/dbraw/zinc/36/18/31/1069361831.db2.gz SINMYQGKQKROLG-GOSISDBHSA-N 1 0 495.093 3.333 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)OC ZINC001305826344 1069365551 /nfs/dbraw/zinc/36/55/51/1069365551.db2.gz GNINMRLAWPIATN-XKCSPQBFSA-N 1 0 466.634 3.326 20 0 JGADRO CC[C@@H](Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)OC ZINC001305826375 1069365695 /nfs/dbraw/zinc/36/56/95/1069365695.db2.gz GYYPJCTWBVWOIS-IBGZPJMESA-N 1 0 481.645 3.411 20 0 JGADRO CC[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC(C)C)CC1)OC ZINC001305825976 1069364555 /nfs/dbraw/zinc/36/45/55/1069364555.db2.gz WCJILIHSWQPUQJ-HXUWFJFHSA-N 1 0 454.619 3.409 20 0 JGADRO CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C(C)C)CC1)Oc1ccccc1F ZINC001305828417 1069368352 /nfs/dbraw/zinc/36/83/52/1069368352.db2.gz JOTKYOKAVKOMFV-AZUAARDMSA-N 1 0 458.582 3.146 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001305828553 1069368984 /nfs/dbraw/zinc/36/89/84/1069368984.db2.gz WROJTUWREMWGKH-GOSISDBHSA-N 1 0 451.541 3.207 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001305828554 1069369008 /nfs/dbraw/zinc/36/90/08/1069369008.db2.gz WROJTUWREMWGKH-SFHVURJKSA-N 1 0 451.541 3.207 20 0 JGADRO CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(CCO)Cc1ccc(Br)s1)[NH+]1CCCC1 ZINC001305832437 1069373431 /nfs/dbraw/zinc/37/34/31/1069373431.db2.gz HRQJCHABWNXREL-IRXDYDNUSA-N 1 0 498.491 3.479 20 0 JGADRO CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC([NH2+]C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001305830739 1069371681 /nfs/dbraw/zinc/37/16/81/1069371681.db2.gz BRPIKJUSTSIOEZ-OALUTQOASA-N 1 0 464.655 3.442 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305831896 1069372892 /nfs/dbraw/zinc/37/28/92/1069372892.db2.gz GMSPQKOGJUAOSA-INDMIFKZSA-N 1 0 450.628 3.004 20 0 JGADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1)[NH+]1CCCC1 ZINC001305835308 1069377231 /nfs/dbraw/zinc/37/72/31/1069377231.db2.gz KRNPASCOOVENHN-LJQANCHMSA-N 1 0 483.661 3.283 20 0 JGADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC001305835828 1069377579 /nfs/dbraw/zinc/37/75/79/1069377579.db2.gz MNCLYSFWQXOQDF-FCHUYYIVSA-N 1 0 452.647 3.405 20 0 JGADRO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001305837299 1069380332 /nfs/dbraw/zinc/38/03/32/1069380332.db2.gz SEOWJVROPUMOKT-JSXRDJHFSA-N 1 0 494.681 3.021 20 0 JGADRO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001305836444 1069378823 /nfs/dbraw/zinc/37/88/23/1069378823.db2.gz JQNGNGKZQBYRIF-FGZHOGPDSA-N 1 0 477.650 3.286 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1)OC ZINC001305837284 1069380380 /nfs/dbraw/zinc/38/03/80/1069380380.db2.gz MUMODBQTSNUJTK-QFIPXVFZSA-N 1 0 469.609 3.106 20 0 JGADRO CC[C@@H](Cn1c(CC(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001305837460 1069381120 /nfs/dbraw/zinc/38/11/20/1069381120.db2.gz TVIIAZBAMYLTPI-ICSRJNTNSA-N 1 0 462.664 3.196 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC001305837842 1069381592 /nfs/dbraw/zinc/38/15/92/1069381592.db2.gz PLARLYJEWUQQOG-JMJGKCIBSA-N 1 0 489.686 3.095 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCCC2)CC1)OC ZINC001305838988 1069384191 /nfs/dbraw/zinc/38/41/91/1069384191.db2.gz SSXGGYQZXYAMFN-SFTDATJTSA-N 1 0 492.665 3.076 20 0 JGADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001305839471 1069385511 /nfs/dbraw/zinc/38/55/11/1069385511.db2.gz XQLXYPRWAOYGFP-JOCHJYFZSA-N 1 0 452.647 3.415 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1cccc(Cl)c1)[NH+]1CCCC1 ZINC001305840275 1069387363 /nfs/dbraw/zinc/38/73/63/1069387363.db2.gz ZNMFRFVUIXYEFY-QUCCMNQESA-N 1 0 496.077 3.223 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305842099 1069390630 /nfs/dbraw/zinc/39/06/30/1069390630.db2.gz NGIXAIVXZQKMEP-ICSRJNTNSA-N 1 0 465.568 3.211 20 0 JGADRO CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001305842157 1069391010 /nfs/dbraw/zinc/39/10/10/1069391010.db2.gz HDLGBQNZWRXHHR-LJQANCHMSA-N 1 0 489.690 3.469 20 0 JGADRO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305842293 1069391628 /nfs/dbraw/zinc/39/16/28/1069391628.db2.gz OSLCCVXSLYCXGU-IRFCIJBXSA-N 1 0 471.650 3.486 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1)[NH+]1CCCC1 ZINC001305843787 1069393023 /nfs/dbraw/zinc/39/30/23/1069393023.db2.gz ZBDUGKJCBQFRIM-NRFANRHFSA-N 1 0 456.610 3.330 20 0 JGADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)OC)CC1)[NH+]1CCCC1 ZINC001305846547 1069396928 /nfs/dbraw/zinc/39/69/28/1069396928.db2.gz IQCBKIIDFAWEIA-NRFANRHFSA-N 1 0 470.618 3.237 20 0 JGADRO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCCC1 ZINC001305849744 1069401682 /nfs/dbraw/zinc/40/16/82/1069401682.db2.gz UGAAHGDJYUJMQQ-HXUWFJFHSA-N 1 0 456.635 3.391 20 0 JGADRO CCC(O)(CC)Cn1c(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC001305856891 1069410999 /nfs/dbraw/zinc/41/09/99/1069410999.db2.gz HEHDQZWDLXDHFT-UHFFFAOYSA-N 1 0 456.679 3.381 20 0 JGADRO CC[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001305876915 1069430718 /nfs/dbraw/zinc/43/07/18/1069430718.db2.gz WCRRQAYMZNNWNQ-NFBKMPQASA-N 1 0 451.681 3.463 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001305880484 1069433247 /nfs/dbraw/zinc/43/32/47/1069433247.db2.gz FZGPIHKDFUBFEL-MHZLTWQESA-N 1 0 497.688 3.179 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001305882391 1069435579 /nfs/dbraw/zinc/43/55/79/1069435579.db2.gz ASYORKIHQZRZPT-VGOFRKELSA-N 1 0 495.466 3.020 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)CCO1 ZINC001305885547 1069441324 /nfs/dbraw/zinc/44/13/24/1069441324.db2.gz KPIATMAOUALQDY-RUZDIDTESA-N 1 0 450.587 3.334 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](CC(C)C)[NH+](C)C)CCO1 ZINC001305888339 1069445265 /nfs/dbraw/zinc/44/52/65/1069445265.db2.gz QDXWOKJPKSHFTK-NIYFSFCBSA-N 1 0 481.645 3.174 20 0 JGADRO CC[C@@]1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC001305890041 1069446819 /nfs/dbraw/zinc/44/68/19/1069446819.db2.gz CNDRTHFXKDMJCN-RDGATRHJSA-N 1 0 489.686 3.074 20 0 JGADRO CC[C@]1(C)CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CCO1 ZINC001305887176 1069443649 /nfs/dbraw/zinc/44/36/49/1069443649.db2.gz KNJRNZGZVXXQRG-UWDQQESISA-N 1 0 457.619 3.489 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001305887443 1069444182 /nfs/dbraw/zinc/44/41/82/1069444182.db2.gz PTHWDQCBWYFKAP-ATIYNZHBSA-N 1 0 468.646 3.202 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001305887450 1069444232 /nfs/dbraw/zinc/44/42/32/1069444232.db2.gz PTHWDQCBWYFKAP-BKMJKUGQSA-N 1 0 468.646 3.202 20 0 JGADRO 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C[N@@H+]1CC[C@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298880937 1064686704 /nfs/dbraw/zinc/68/67/04/1064686704.db2.gz YEAFKVDPAMCNBD-NTKDMRAZSA-N 1 0 491.036 3.159 20 0 JGADRO CN(c1nnc(-c2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@@H](CF)c1ccc(Br)cc1 ZINC001298881070 1064686943 /nfs/dbraw/zinc/68/69/43/1064686943.db2.gz ZOCIQAKTWLVZDV-SIKLNZKXSA-N 1 0 489.393 3.316 20 0 JGADRO CN(CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001298882249 1064689428 /nfs/dbraw/zinc/68/94/28/1064689428.db2.gz SQNYZXHSXRXZPP-RUZDIDTESA-N 1 0 478.682 3.017 20 0 JGADRO CN(CC1CCCCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298884786 1064690399 /nfs/dbraw/zinc/69/03/99/1064690399.db2.gz CQJIJHWWHXUCAZ-OHUGHZGNSA-N 1 0 476.666 3.132 20 0 JGADRO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(OC)c1 ZINC001298885494 1064692248 /nfs/dbraw/zinc/69/22/48/1064692248.db2.gz GBUMZBLAMDYELQ-SXSPYAJSSA-N 1 0 451.567 3.088 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001298886175 1064693048 /nfs/dbraw/zinc/69/30/48/1064693048.db2.gz NOTMSUAMRYZMGD-LPHOPBHVSA-N 1 0 466.051 3.342 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(Cc2ccncc2)nnc1N(CCO)CCc1ccccc1 ZINC001298886153 1064693067 /nfs/dbraw/zinc/69/30/67/1064693067.db2.gz DJUDBUYPQBDFKZ-XMMPIXPASA-N 1 0 462.642 3.426 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001298886315 1064694119 /nfs/dbraw/zinc/69/41/19/1064694119.db2.gz FNJCQTWLSSAABF-FGZHOGPDSA-N 1 0 452.647 3.276 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001298886397 1064694159 /nfs/dbraw/zinc/69/41/59/1064694159.db2.gz GGFXCKWTCCEELA-BBRCJUOPSA-N 1 0 460.667 3.019 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001298886401 1064695077 /nfs/dbraw/zinc/69/50/77/1064695077.db2.gz GGFXCKWTCCEELA-QAAIKFCJSA-N 1 0 460.667 3.019 20 0 JGADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)CC2)cc1 ZINC001298887779 1064697383 /nfs/dbraw/zinc/69/73/83/1064697383.db2.gz NEDSQQNDJWSIPX-YKSBVNFPSA-N 1 0 455.624 3.175 20 0 JGADRO CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCOC1 ZINC001298888697 1064698664 /nfs/dbraw/zinc/69/86/64/1064698664.db2.gz OIURIPVPPXEUOB-IYWMVGAKSA-N 1 0 476.666 3.394 20 0 JGADRO C[C@H]1[C@@H](NC(=O)COc2ccc(I)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001298890774 1064701014 /nfs/dbraw/zinc/70/10/14/1064701014.db2.gz YNKCOBSNGXSURN-KXBFYZLASA-N 1 0 450.320 3.449 20 0 JGADRO C[N@@H+]1CCN(CCn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1(C)C ZINC001298898911 1064704641 /nfs/dbraw/zinc/70/46/41/1064704641.db2.gz YGRLKDVGBMQCNA-SFHVURJKSA-N 1 0 486.970 3.392 20 0 JGADRO Cn1nc(C(F)(F)F)c(Cl)c1Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001298903095 1064707784 /nfs/dbraw/zinc/70/77/84/1064707784.db2.gz KWXHDZJRZQWFCW-CYBMUJFWSA-N 1 0 475.947 3.157 20 0 JGADRO CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)C1 ZINC001298910888 1064712529 /nfs/dbraw/zinc/71/25/29/1064712529.db2.gz ZPNQMAGXXIITCE-PKTZIBPZSA-N 1 0 456.631 3.195 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001298916692 1064717724 /nfs/dbraw/zinc/71/77/24/1064717724.db2.gz QUDIELSDMZGEDW-INIZCTEOSA-N 1 0 492.466 3.120 20 0 JGADRO CNC(=O)C(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001298918011 1064720061 /nfs/dbraw/zinc/72/00/61/1064720061.db2.gz ZDHPQWQJVQLTJR-MSOLQXFVSA-N 1 0 458.582 3.004 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001298920330 1064720918 /nfs/dbraw/zinc/72/09/18/1064720918.db2.gz ACPRYBBCPUEUJT-UHFFFAOYSA-N 1 0 493.425 3.151 20 0 JGADRO CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)=NO2 ZINC001298926316 1064725477 /nfs/dbraw/zinc/72/54/77/1064725477.db2.gz QQSINTMMPZFYJA-FQEVSTJZSA-N 1 0 456.587 3.171 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001298942677 1064734787 /nfs/dbraw/zinc/73/47/87/1064734787.db2.gz TWKMUSJMYFQYGE-UHFFFAOYSA-N 1 0 489.668 3.385 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(N2CC[NH+](CC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001298951341 1064742510 /nfs/dbraw/zinc/74/25/10/1064742510.db2.gz QCQDKRVMGAQECP-UHFFFAOYSA-N 1 0 452.647 3.298 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001298962647 1064749766 /nfs/dbraw/zinc/74/97/66/1064749766.db2.gz AWCCQDUMQMGGED-HUUCEWRRSA-N 1 0 483.480 3.319 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001298967500 1064757936 /nfs/dbraw/zinc/75/79/36/1064757936.db2.gz ZSQAZVKNWPESEE-HZPDHXFCSA-N 1 0 475.435 3.010 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298968768 1064759307 /nfs/dbraw/zinc/75/93/07/1064759307.db2.gz CPUYWLGGFZZZOS-IBGZPJMESA-N 1 0 463.630 3.434 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001298970491 1064762069 /nfs/dbraw/zinc/76/20/69/1064762069.db2.gz PBZUUDFOJYJXMF-WIYYLYMNSA-N 1 0 484.645 3.045 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001298974409 1064764297 /nfs/dbraw/zinc/76/42/97/1064764297.db2.gz WACWNXMIEUQSBV-OXQOHEQNSA-N 1 0 455.994 3.115 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001298975052 1064764627 /nfs/dbraw/zinc/76/46/27/1064764627.db2.gz YSFNHRHKQKRRQP-XXBNENTESA-N 1 0 477.613 3.004 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001298975049 1064764738 /nfs/dbraw/zinc/76/47/38/1064764738.db2.gz YSFNHRHKQKRRQP-CVDCTZTESA-N 1 0 477.613 3.004 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001298984430 1064769543 /nfs/dbraw/zinc/76/95/43/1064769543.db2.gz SECAZJISVYLLHQ-PUHATCMVSA-N 1 0 468.646 3.136 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001298987398 1064771271 /nfs/dbraw/zinc/77/12/71/1064771271.db2.gz ACPMVEMXNPWEKK-XQFWAAQXSA-N 1 0 481.670 3.227 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCCC1 ZINC001298998542 1064778194 /nfs/dbraw/zinc/77/81/94/1064778194.db2.gz BJNQNJKKBCYRGB-HXUWFJFHSA-N 1 0 470.662 3.459 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1([NH+](C)C)CCCC1 ZINC001299002795 1064782091 /nfs/dbraw/zinc/78/20/91/1064782091.db2.gz NXNDFBHBAXUPIO-HXUWFJFHSA-N 1 0 456.635 3.167 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCCC2)C1 ZINC001299004342 1064785489 /nfs/dbraw/zinc/78/54/89/1064785489.db2.gz BNHHDWGRTZBYHQ-HOYKHHGWSA-N 1 0 472.609 3.394 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001299005984 1064788832 /nfs/dbraw/zinc/78/88/32/1064788832.db2.gz JSTRYZVSJZBDMF-GAJHUEQPSA-N 1 0 458.582 3.004 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001299006186 1064788990 /nfs/dbraw/zinc/78/89/90/1064788990.db2.gz MYBFFAXUNHMQOX-AREMUKBSSA-N 1 0 484.645 3.189 20 0 JGADRO CC[N@@H+]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)[C@H](C)C1 ZINC001299010449 1064794071 /nfs/dbraw/zinc/79/40/71/1064794071.db2.gz UQBYKSSFGXKHJY-QWFCFKBJSA-N 1 0 451.633 3.109 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3C)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001299014574 1064796779 /nfs/dbraw/zinc/79/67/79/1064796779.db2.gz BBQWTTZDEJOKGN-HSZRJFAPSA-N 1 0 456.660 3.043 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001299015535 1064799083 /nfs/dbraw/zinc/79/90/83/1064799083.db2.gz JDZYHZIQULUENP-FDDCHVKYSA-N 1 0 456.978 3.457 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccn3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001299016156 1064799882 /nfs/dbraw/zinc/79/98/82/1064799882.db2.gz NXKIVEFWXAEPFS-SIBVEZHUSA-N 1 0 463.630 3.375 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001299016183 1064799915 /nfs/dbraw/zinc/79/99/15/1064799915.db2.gz UXMOMIURQYUDRU-CJAUYULYSA-N 1 0 498.653 3.289 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001299022313 1064804997 /nfs/dbraw/zinc/80/49/97/1064804997.db2.gz GTRHNEFFSHDPOL-AREMUKBSSA-N 1 0 470.662 3.208 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001299026256 1064808559 /nfs/dbraw/zinc/80/85/59/1064808559.db2.gz CUFIWOOMQUUXOC-WNCULLNHSA-N 1 0 482.673 3.373 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001299026255 1064808571 /nfs/dbraw/zinc/80/85/71/1064808571.db2.gz CUFIWOOMQUUXOC-KCWPFWIISA-N 1 0 482.673 3.373 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001299026258 1064808650 /nfs/dbraw/zinc/80/86/50/1064808650.db2.gz CUFIWOOMQUUXOC-YIXXDRMTSA-N 1 0 482.673 3.373 20 0 JGADRO 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COc1cc(OC)cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001299928069 1065189741 /nfs/dbraw/zinc/18/97/41/1065189741.db2.gz LXIXBMDDQVYEBQ-JOCHJYFZSA-N 1 0 486.661 3.434 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CCn3cccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001299931855 1065196464 /nfs/dbraw/zinc/19/64/64/1065196464.db2.gz HLYDYSQSVQWGSP-UXHICEINSA-N 1 0 467.618 3.416 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CC3CCOCC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001299932335 1065197692 /nfs/dbraw/zinc/19/76/92/1065197692.db2.gz OLZMTNRYTDJSRT-DEOSSOPVSA-N 1 0 475.659 3.262 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CC=CCC2)c1 ZINC001299932850 1065198461 /nfs/dbraw/zinc/19/84/61/1065198461.db2.gz YDVANPDWWLYMGA-UHFFFAOYSA-N 1 0 455.603 3.477 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001299936546 1065203745 /nfs/dbraw/zinc/20/37/45/1065203745.db2.gz OAMUDGJIIQQXHT-TZIWHRDSSA-N 1 0 487.645 3.203 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001299937872 1065205814 /nfs/dbraw/zinc/20/58/14/1065205814.db2.gz HNICJVFJJRNHDP-IBGZPJMESA-N 1 0 484.645 3.176 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001299937843 1065205843 /nfs/dbraw/zinc/20/58/43/1065205843.db2.gz WVMIYVGXKHGYIK-OSWQYVSFSA-N 1 0 473.618 3.075 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001299937856 1065206000 /nfs/dbraw/zinc/20/60/00/1065206000.db2.gz WWTWRUXMVQBOQS-IBGZPJMESA-N 1 0 487.645 3.201 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(CO)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001299938411 1065207675 /nfs/dbraw/zinc/20/76/75/1065207675.db2.gz PKNRXCLYYIMDRJ-IBGZPJMESA-N 1 0 457.619 3.436 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001299939250 1065208774 /nfs/dbraw/zinc/20/87/74/1065208774.db2.gz PTPFFLPODOMPPA-DWXRJYCRSA-N 1 0 484.645 3.175 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@H](C)[C@@H]3C)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001299939379 1065209403 /nfs/dbraw/zinc/20/94/03/1065209403.db2.gz ZXIINBNCLLGADX-PMACEKPBSA-N 1 0 470.662 3.471 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccc(OC)nc2OC)c1 ZINC001299941397 1065210795 /nfs/dbraw/zinc/21/07/95/1065210795.db2.gz IUTVIKVTBXZCNM-UHFFFAOYSA-N 1 0 496.612 3.390 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CC=CCC2)c1 ZINC001299942462 1065211859 /nfs/dbraw/zinc/21/18/59/1065211859.db2.gz PSUSHFLIUCZADO-HXUWFJFHSA-N 1 0 498.628 3.328 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001299945353 1065217606 /nfs/dbraw/zinc/21/76/06/1065217606.db2.gz RWGWNMPDTYWLMP-FNZWTVRRSA-N 1 0 487.645 3.326 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001299946697 1065221912 /nfs/dbraw/zinc/22/19/12/1065221912.db2.gz LYZZBWYSCDWQSO-DFBJGRDBSA-N 1 0 457.619 3.434 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001299946699 1065221925 /nfs/dbraw/zinc/22/19/25/1065221925.db2.gz LYZZBWYSCDWQSO-UQBPGWFLSA-N 1 0 457.619 3.434 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2C[C@](C)(O)C(C)C)c1 ZINC001299949309 1065223084 /nfs/dbraw/zinc/22/30/84/1065223084.db2.gz BELMCYVJNKKIBN-VWLOTQADSA-N 1 0 457.619 3.434 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001299950328 1065225941 /nfs/dbraw/zinc/22/59/41/1065225941.db2.gz MWVMSGIYYKAOID-IBGZPJMESA-N 1 0 499.660 3.077 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2nccc(C(F)F)n2)c1 ZINC001299952295 1065231721 /nfs/dbraw/zinc/23/17/21/1065231721.db2.gz YOALOPBJGIGHJF-UHFFFAOYSA-N 1 0 473.528 3.269 20 0 JGADRO COc1cc(OC)cc(N2CCCN(c3nnc(C(C)C)n3CC[NH+]3CCSCC3)CC2)c1 ZINC001299959380 1065239417 /nfs/dbraw/zinc/23/94/17/1065239417.db2.gz NNGIVANCTUKXJZ-UHFFFAOYSA-N 1 0 474.675 3.184 20 0 JGADRO COc1cc2c(cc1C)CN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)C[NH+]1CCCC1)CC2 ZINC001299960413 1065242185 /nfs/dbraw/zinc/24/21/85/1065242185.db2.gz YPBJTWGYONZIMI-UHFFFAOYSA-N 1 0 468.646 3.418 20 0 JGADRO COc1cc2c(cc1C)CN(c1nnc([C@@H]3CCS(=O)(=O)C3)n1C[C@@H](CC(C)C)[NH+](C)C)CC2 ZINC001299960351 1065242309 /nfs/dbraw/zinc/24/23/09/1065242309.db2.gz WSHKCWVWIJGEFV-IFMALSPDSA-N 1 0 489.686 3.036 20 0 JGADRO COc1cc2c(cc1OC)CCN(c1nnc([C@H]3CCCO3)n1CC(C)(C)C[NH+](C)C)CC2 ZINC001299961394 1065242969 /nfs/dbraw/zinc/24/29/69/1065242969.db2.gz IJDVMGLHEXRBRD-HXUWFJFHSA-N 1 0 457.619 3.340 20 0 JGADRO COc1cc2c(c(OC)c1OC)CCN(c1nnc(C(C)C)n1CCCC[NH+]1CCOCC1)CC2 ZINC001299967534 1065250437 /nfs/dbraw/zinc/25/04/37/1065250437.db2.gz QJVZOAGZCPKUNH-UHFFFAOYSA-N 1 0 487.645 3.145 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299967470 1065250552 /nfs/dbraw/zinc/25/05/52/1065250552.db2.gz PNDAJPPJWPZTGG-AWEZNQCLSA-N 1 0 481.439 3.004 20 0 JGADRO COc1ccc(Br)c(CN(C)c2nnc(C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001299975037 1065267952 /nfs/dbraw/zinc/26/79/52/1065267952.db2.gz FYZSLVJFRJHDPT-HOTGVXAUSA-N 1 0 466.424 3.493 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001299986964 1065289003 /nfs/dbraw/zinc/28/90/03/1065289003.db2.gz NGPQINAOJVHOPW-QFIPXVFZSA-N 1 0 494.688 3.372 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001299987726 1065290450 /nfs/dbraw/zinc/29/04/50/1065290450.db2.gz VCJXPNQZTISEQD-IRFCIJBXSA-N 1 0 475.659 3.118 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001299987954 1065290965 /nfs/dbraw/zinc/29/09/65/1065290965.db2.gz XIVRQXSEAVUUKW-SFTDATJTSA-N 1 0 464.614 3.438 20 0 JGADRO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001299996800 1065306223 /nfs/dbraw/zinc/30/62/23/1065306223.db2.gz PEYADBBQBDSYFR-HXUWFJFHSA-N 1 0 456.616 3.279 20 0 JGADRO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001299997092 1065306827 /nfs/dbraw/zinc/30/68/27/1065306827.db2.gz CKMJNAHEHWOPQS-IBGZPJMESA-N 1 0 472.634 3.044 20 0 JGADRO Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)c(=O)n1C ZINC001492202475 1065316908 /nfs/dbraw/zinc/31/69/08/1065316908.db2.gz FOSJTSZHPWYEKM-UHFFFAOYSA-N 1 0 468.577 3.018 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(-c4ccccn4)n3C[C@H](C)[NH+](C)C)CC2)cc1 ZINC001492205556 1065319366 /nfs/dbraw/zinc/31/93/66/1065319366.db2.gz KCWQZHJKKKEGPO-FQEVSTJZSA-N 1 0 461.614 3.131 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(-c4ccccn4)n3C[C@@H](C)[NH+](C)C)CC2)cc1 ZINC001492205558 1065319485 /nfs/dbraw/zinc/31/94/85/1065319485.db2.gz KCWQZHJKKKEGPO-HXUWFJFHSA-N 1 0 461.614 3.131 20 0 JGADRO Cc1ccc(N(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492224588 1065329093 /nfs/dbraw/zinc/32/90/93/1065329093.db2.gz PILIXWKLHBFSPF-PMACEKPBSA-N 1 0 454.619 3.365 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[NH+]3CCC(C)CC3)CC2)cc1 ZINC001492228410 1065330582 /nfs/dbraw/zinc/33/05/82/1065330582.db2.gz UJZNTPMFEDNVTD-QFIPXVFZSA-N 1 0 467.662 3.172 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001492238487 1065332869 /nfs/dbraw/zinc/33/28/69/1065332869.db2.gz RCOFNRKXHOFZNV-GOSISDBHSA-N 1 0 464.618 3.249 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)cc1 ZINC001492233058 1065333602 /nfs/dbraw/zinc/33/36/02/1065333602.db2.gz UULWPYDHBXQPJF-DEOSSOPVSA-N 1 0 495.716 3.444 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[NH+]1CCCC1 ZINC001492235333 1065335634 /nfs/dbraw/zinc/33/56/34/1065335634.db2.gz NIIYOMYKZBPRGN-UHFFFAOYSA-N 1 0 464.618 3.230 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@]2([NH+](C)C)CCSC2)cc1C ZINC001492240484 1065338756 /nfs/dbraw/zinc/33/87/56/1065338756.db2.gz NHIVVDHYFQNXSS-RUZDIDTESA-N 1 0 486.686 3.447 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H]2C[C@H]2C)cc1C ZINC001492241543 1065340580 /nfs/dbraw/zinc/34/05/80/1065340580.db2.gz YBFIFMDJUZTKTQ-WOJBJXKFSA-N 1 0 454.619 3.350 20 0 JGADRO Cc1nnc(N2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001492288964 1065342138 /nfs/dbraw/zinc/34/21/38/1065342138.db2.gz RISCKLFWPIODDN-OAQYLSRUSA-N 1 0 469.634 3.044 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1C ZINC001492248650 1065347294 /nfs/dbraw/zinc/34/72/94/1065347294.db2.gz TUHGPSFVVIOMSA-HSZRJFAPSA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492250371 1065349893 /nfs/dbraw/zinc/34/98/93/1065349893.db2.gz MFWUYYMSQIUDPX-RXVVDRJESA-N 1 0 454.619 3.494 20 0 JGADRO Cc1nccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001492253603 1065353876 /nfs/dbraw/zinc/35/38/76/1065353876.db2.gz GEVVJSFCZFBGNC-UHFFFAOYSA-N 1 0 464.618 3.319 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1C ZINC001492265712 1065358084 /nfs/dbraw/zinc/35/80/84/1065358084.db2.gz DGVSIWWQIYVVTG-FQEVSTJZSA-N 1 0 495.672 3.184 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C[C@@H]4CCCO4)CC3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001492265710 1065358117 /nfs/dbraw/zinc/35/81/17/1065358117.db2.gz DFNBKPULGWVKJE-DEOSSOPVSA-N 1 0 497.688 3.179 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)CN2CCOCC2)cc1C ZINC001492265807 1065358830 /nfs/dbraw/zinc/35/88/30/1065358830.db2.gz KEGXBTVZNIPNLX-NRFANRHFSA-N 1 0 497.688 3.036 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCn2cccn2)cc1C ZINC001492269218 1065364905 /nfs/dbraw/zinc/36/49/05/1065364905.db2.gz VXTDMKMQSXEVLJ-UHFFFAOYSA-N 1 0 464.618 3.355 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCNC(=O)OC(C)(C)C)cc1C ZINC001492273335 1065366172 /nfs/dbraw/zinc/36/61/72/1065366172.db2.gz CRFJVGIWXOUNNC-NRFANRHFSA-N 1 0 497.644 3.346 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@@H]3CO)C2)nc1 ZINC001492276163 1065370546 /nfs/dbraw/zinc/37/05/46/1065370546.db2.gz NWQSAUNRDIGLEM-FGZHOGPDSA-N 1 0 497.688 3.371 20 0 JGADRO Cc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001492280339 1065373284 /nfs/dbraw/zinc/37/32/84/1065373284.db2.gz FZDCVONNNHDMHZ-UHFFFAOYSA-N 1 0 477.613 3.134 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4cnccn4)n3CC[NH+](C(C)C)C(C)C)C2)nc1 ZINC001492281250 1065374682 /nfs/dbraw/zinc/37/46/82/1065374682.db2.gz PJGRVHRMSSQLMR-NRFANRHFSA-N 1 0 491.644 3.412 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001492284387 1065377134 /nfs/dbraw/zinc/37/71/34/1065377134.db2.gz SWJQJYVEMKGVML-NRFANRHFSA-N 1 0 481.645 3.162 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001492284491 1065377866 /nfs/dbraw/zinc/37/78/66/1065377866.db2.gz WZZWHMCIOIQELL-UHFFFAOYSA-N 1 0 490.612 3.183 20 0 JGADRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc([C@H]4CCCOC4)n3C[C@H](C)[NH+](C)C)C2)cc1 ZINC001492287104 1065379915 /nfs/dbraw/zinc/37/99/15/1065379915.db2.gz AXQLNSKQZDEWBH-FKBYEOEOSA-N 1 0 483.661 3.469 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492287169 1065380019 /nfs/dbraw/zinc/38/00/19/1065380019.db2.gz NRXDUDIPCXONKO-YPAWHYETSA-N 1 0 484.645 3.055 20 0 JGADRO Cc1nc(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@@H](C2CC2)[NH+](C)C)cs1 ZINC001492288475 1065383176 /nfs/dbraw/zinc/38/31/76/1065383176.db2.gz MRSNOLFXFQDIGN-NRFANRHFSA-N 1 0 467.643 3.357 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001492311452 1065390539 /nfs/dbraw/zinc/39/05/39/1065390539.db2.gz LYJAGSBQSLCLOO-FQEVSTJZSA-N 1 0 477.675 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001492326341 1065398969 /nfs/dbraw/zinc/39/89/69/1065398969.db2.gz YNZOVJUAVFPMEZ-UHFFFAOYSA-N 1 0 463.573 3.494 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)cc1C ZINC001492337783 1065405363 /nfs/dbraw/zinc/40/53/63/1065405363.db2.gz JCKIMTCTPMGLGJ-NRFANRHFSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[NH+]2CCCCCC2)cc1C ZINC001492339020 1065406925 /nfs/dbraw/zinc/40/69/25/1065406925.db2.gz TVHFCOBWWDQXAR-OAQYLSRUSA-N 1 0 454.619 3.017 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001492339528 1065407736 /nfs/dbraw/zinc/40/77/36/1065407736.db2.gz OOCJKBIXNVYJMB-FGZHOGPDSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492353744 1065416230 /nfs/dbraw/zinc/41/62/30/1065416230.db2.gz KOZNSQYKIYENAM-SFTDATJTSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 ZINC001492353830 1065417121 /nfs/dbraw/zinc/41/71/21/1065417121.db2.gz NBGNMQKVXJUARI-JOCHJYFZSA-N 1 0 489.686 3.157 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(Cn4ccnn4)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001492353795 1065417172 /nfs/dbraw/zinc/41/71/72/1065417172.db2.gz MFHLAPRZWZLJEG-UHFFFAOYSA-N 1 0 452.607 3.014 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2cnnn2C)cc1C ZINC001492353887 1065417233 /nfs/dbraw/zinc/41/72/33/1065417233.db2.gz PAAKNKIQJBPBET-UHFFFAOYSA-N 1 0 466.634 3.207 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001492358479 1065419915 /nfs/dbraw/zinc/41/99/15/1065419915.db2.gz AYUUNMDERUQCHX-NRFANRHFSA-N 1 0 454.619 3.097 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001492363364 1065424249 /nfs/dbraw/zinc/42/42/49/1065424249.db2.gz ISOPYLAJAHORDN-JTHBVZDNSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001492363659 1065425026 /nfs/dbraw/zinc/42/50/26/1065425026.db2.gz LMMJJYMWUCOQSE-DHIUTWEWSA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CC(=O)N(C)C)cc1 ZINC001492369724 1065430346 /nfs/dbraw/zinc/43/03/46/1065430346.db2.gz APEXNZRCZBVSTR-VXKWHMMOSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[NH+]2CCCC2)cc1 ZINC001492371382 1065435262 /nfs/dbraw/zinc/43/52/62/1065435262.db2.gz PZEAZLXNJNGGRC-OAQYLSRUSA-N 1 0 454.619 3.002 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001492372146 1065436663 /nfs/dbraw/zinc/43/66/63/1065436663.db2.gz WKGIGEAXIXLCIE-JOCHJYFZSA-N 1 0 498.672 3.017 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372418 1065438075 /nfs/dbraw/zinc/43/80/75/1065438075.db2.gz ZQZHCDZIGSIXPT-VXKWHMMOSA-N 1 0 489.686 3.301 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCO[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001492377495 1065441641 /nfs/dbraw/zinc/44/16/41/1065441641.db2.gz QWBLQMPOYBRURH-JOCHJYFZSA-N 1 0 471.646 3.324 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001492383275 1065447010 /nfs/dbraw/zinc/44/70/10/1065447010.db2.gz QGGDHKDHHVREBG-XMMPIXPASA-N 1 0 470.662 3.053 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)cc1C ZINC001492390865 1065456431 /nfs/dbraw/zinc/45/64/31/1065456431.db2.gz DPMXAOSJUHGYQZ-SANMLTNESA-N 1 0 471.646 3.184 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001492394564 1065466841 /nfs/dbraw/zinc/46/68/41/1065466841.db2.gz OUFQFCHZHKFORC-HXUWFJFHSA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC[C@@H]3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492399807 1065468530 /nfs/dbraw/zinc/46/85/30/1065468530.db2.gz CUEIXPRRYRLMPQ-GMAHTHKFSA-N 1 0 457.619 3.056 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001492401063 1065469898 /nfs/dbraw/zinc/46/98/98/1065469898.db2.gz LFZUAHNUYWSOPU-FGZHOGPDSA-N 1 0 489.686 3.158 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001492401017 1065469969 /nfs/dbraw/zinc/46/99/69/1065469969.db2.gz KUDNSERKCYDYTJ-OAQYLSRUSA-N 1 0 459.660 3.246 20 0 JGADRO Cc1nc([C@H]2CN(c3nnc(COc4ccc(C)cc4)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)no1 ZINC001492402967 1065473471 /nfs/dbraw/zinc/47/34/71/1065473471.db2.gz XTMWVLXMEZPMRP-IFMALSPDSA-N 1 0 483.617 3.411 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001492432296 1065489536 /nfs/dbraw/zinc/48/95/36/1065489536.db2.gz ZKEBZJCDLVNRGC-OAQYLSRUSA-N 1 0 499.685 3.117 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001492445982 1065500315 /nfs/dbraw/zinc/50/03/15/1065500315.db2.gz MTJBKBCGNFTLGZ-LJQANCHMSA-N 1 0 456.660 3.324 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CCC3CCOCC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001492449171 1065502205 /nfs/dbraw/zinc/50/22/05/1065502205.db2.gz QXEGMZWDBXWIHK-XMMPIXPASA-N 1 0 459.660 3.198 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492456679 1065506735 /nfs/dbraw/zinc/50/67/35/1065506735.db2.gz RSUDCZXKZMSSCG-RLSLOFABSA-N 1 0 486.686 3.080 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001492461353 1065509819 /nfs/dbraw/zinc/50/98/19/1065509819.db2.gz CTKLMWZIYSXNCV-SFTDATJTSA-N 1 0 477.700 3.232 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492461680 1065509879 /nfs/dbraw/zinc/50/98/79/1065509879.db2.gz HCGYTEOHUXWZCX-UYAOXDASSA-N 1 0 465.689 3.232 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(c4ccnc(C)n4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492465694 1065512739 /nfs/dbraw/zinc/51/27/39/1065512739.db2.gz HOYOAXHYVVEBKW-LJQANCHMSA-N 1 0 466.659 3.254 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001492468213 1065515900 /nfs/dbraw/zinc/51/59/00/1065515900.db2.gz XXAPDJKSAVITDO-FQEVSTJZSA-N 1 0 471.675 3.165 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN4C(=O)N(C)C[C@@H]4C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001492468214 1065515983 /nfs/dbraw/zinc/51/59/83/1065515983.db2.gz XXAPDJKSAVITDO-HXUWFJFHSA-N 1 0 471.675 3.165 20 0 JGADRO Cc1ccc(SCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001492469714 1065519109 /nfs/dbraw/zinc/51/91/09/1065519109.db2.gz SFBJSUQBTJKDPS-LJQANCHMSA-N 1 0 492.715 3.054 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001492470526 1065520552 /nfs/dbraw/zinc/52/05/52/1065520552.db2.gz RDVDSNZWOVZCBM-RTBURBONSA-N 1 0 460.648 3.155 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](C)[NH+](C)C)CC2)c1 ZINC001492471697 1065522888 /nfs/dbraw/zinc/52/28/88/1065522888.db2.gz RTDWOMDHBKVBQI-OAQYLSRUSA-N 1 0 461.614 3.260 20 0 JGADRO Cc1cccc(C(=O)NCCn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)c1 ZINC001492477971 1065523753 /nfs/dbraw/zinc/52/37/53/1065523753.db2.gz BJWIRPPWSZDVFN-UHFFFAOYSA-N 1 0 492.672 3.111 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC001300795358 1065525473 /nfs/dbraw/zinc/52/54/73/1065525473.db2.gz NWUSBZCPYISJQM-PDOICOKGSA-N 1 0 495.466 3.396 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC[NH+](C(C)C)C(C)C)CC[C@@H]1C ZINC001300813580 1065544055 /nfs/dbraw/zinc/54/40/55/1065544055.db2.gz ZUHSTEKTWZMDBX-NZQKXSOJSA-N 1 0 481.649 3.291 20 0 JGADRO CO[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2([NH+](C)C)CCOCC2)CC[C@@H]1C ZINC001300826518 1065554888 /nfs/dbraw/zinc/55/48/88/1065554888.db2.gz NWIYULSBIFSPRA-UWJYYQICSA-N 1 0 463.573 3.119 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC[C@H]1C ZINC001300827302 1065556145 /nfs/dbraw/zinc/55/61/45/1065556145.db2.gz SAJLZEDDLAFXIV-DNVFCKCGSA-N 1 0 477.600 3.365 20 0 JGADRO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1(C)C ZINC001300839129 1065575281 /nfs/dbraw/zinc/57/52/81/1065575281.db2.gz BKHHLGGKKYVNNK-JTHBVZDNSA-N 1 0 471.646 3.182 20 0 JGADRO CO[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)(C)C)CC[C@@H]1C ZINC001300843433 1065582888 /nfs/dbraw/zinc/58/28/88/1065582888.db2.gz VIWADDPKFCUNKM-UPVQGACJSA-N 1 0 484.689 3.319 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC[C@@H]1C ZINC001300846022 1065589207 /nfs/dbraw/zinc/58/92/07/1065589207.db2.gz ZLBSCXAHJZCSQT-JJEOQYAHSA-N 1 0 469.609 3.443 20 0 JGADRO CO[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCSCC2)CC1(C)C ZINC001300846108 1065589872 /nfs/dbraw/zinc/58/98/72/1065589872.db2.gz BVJMJDQVWWUBLI-CEXWTWQISA-N 1 0 451.681 3.107 20 0 JGADRO CO[C@H]1COCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300856235 1065606174 /nfs/dbraw/zinc/60/61/74/1065606174.db2.gz SZSWHYOWDZUZMC-UNMCSNQZSA-N 1 0 484.645 3.119 20 0 JGADRO CO[C@H]1COCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300868993 1065635738 /nfs/dbraw/zinc/63/57/38/1065635738.db2.gz GGTNHALDQXBICK-GMAHTHKFSA-N 1 0 457.619 3.138 20 0 JGADRO CO[C@H]1COCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300868992 1065635802 /nfs/dbraw/zinc/63/58/02/1065635802.db2.gz GGTNHALDQXBICK-GGAORHGYSA-N 1 0 457.619 3.138 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001300883235 1065670423 /nfs/dbraw/zinc/67/04/23/1065670423.db2.gz VWEBRWBHBHLQTK-FQEVSTJZSA-N 1 0 489.064 3.406 20 0 JGADRO COCC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001300894010 1065685476 /nfs/dbraw/zinc/68/54/76/1065685476.db2.gz UBOGFPZGHGVHSC-UHFFFAOYSA-N 1 0 482.673 3.013 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300903593 1065701277 /nfs/dbraw/zinc/70/12/77/1065701277.db2.gz MIOUOUOXUOKYSN-IBGZPJMESA-N 1 0 489.064 3.450 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300904909 1065704673 /nfs/dbraw/zinc/70/46/73/1065704673.db2.gz XFSPPNCGVGJKMG-OYRHEFFESA-N 1 0 498.672 3.053 20 0 JGADRO 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COC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC001301375350 1066168686 /nfs/dbraw/zinc/16/86/86/1066168686.db2.gz PQOZVJLZGXGBED-PZJWPPBQSA-N 1 0 487.645 3.467 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccccc2C[N@H+](C)C(C)C)C[C@@H](C)O1 ZINC001301378310 1066171650 /nfs/dbraw/zinc/17/16/50/1066171650.db2.gz TUWMBFMLNOIAIZ-YKSBVNFPSA-N 1 0 464.614 3.469 20 0 JGADRO COC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001301387018 1066174078 /nfs/dbraw/zinc/17/40/78/1066174078.db2.gz HOAIVJYZWOQUQC-RTBURBONSA-N 1 0 463.573 3.119 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001301387517 1066174212 /nfs/dbraw/zinc/17/42/12/1066174212.db2.gz MLFWZAJLYCGLFD-UGKGYDQZSA-N 1 0 459.610 3.370 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@@H](C)O1 ZINC001301395303 1066176798 /nfs/dbraw/zinc/17/67/98/1066176798.db2.gz BCAGUEPTGPBYBW-XTMHLJAPSA-N 1 0 456.635 3.015 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC001301396360 1066177464 /nfs/dbraw/zinc/17/74/64/1066177464.db2.gz JSYXSKIBUGCDQZ-KAGYGMCKSA-N 1 0 459.610 3.369 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC001301396894 1066177885 /nfs/dbraw/zinc/17/78/85/1066177885.db2.gz OFOZUTZGXCFQCC-XJUOHMSHSA-N 1 0 456.635 3.159 20 0 JGADRO COC[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccccc2C[N@H+](C)C(C)C)C[C@@H](C)O1 ZINC001301397712 1066178552 /nfs/dbraw/zinc/17/85/52/1066178552.db2.gz SZIMAVKZLIFBQD-PXDATVDWSA-N 1 0 478.641 3.393 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@@H](C)O1 ZINC001301397764 1066178756 /nfs/dbraw/zinc/17/87/56/1066178756.db2.gz UKEORWLERMFMOH-XJUOHMSHSA-N 1 0 471.646 3.238 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCCC[NH+]2CCC(C)CC2)C[C@H](C)O1 ZINC001301399045 1066180206 /nfs/dbraw/zinc/18/02/06/1066180206.db2.gz LSNJFZZRJNAZMI-UGKGYDQZSA-N 1 0 476.691 3.386 20 0 JGADRO COC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001301402711 1066183581 /nfs/dbraw/zinc/18/35/81/1066183581.db2.gz KODKLJWTHSRYAI-QHCPKHFHSA-N 1 0 471.646 3.046 20 0 JGADRO COC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001301404454 1066186394 /nfs/dbraw/zinc/18/63/94/1066186394.db2.gz FFHGRXBIDGOOJJ-YADHBBJMSA-N 1 0 457.619 3.138 20 0 JGADRO COC[C@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001301404193 1066186429 /nfs/dbraw/zinc/18/64/29/1066186429.db2.gz PYKHDJGDISTTFS-ZJSXRUAMSA-N 1 0 471.646 3.044 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001301404448 1066186493 /nfs/dbraw/zinc/18/64/93/1066186493.db2.gz FFHGRXBIDGOOJJ-FCHUYYIVSA-N 1 0 457.619 3.138 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCC2)CCO1 ZINC001301404952 1066186958 /nfs/dbraw/zinc/18/69/58/1066186958.db2.gz HULNHLMCGJOPAR-QFIPXVFZSA-N 1 0 457.619 3.102 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301405068 1066187571 /nfs/dbraw/zinc/18/75/71/1066187571.db2.gz IKCSEIBZYWPBLO-CKUXNOBLSA-N 1 0 471.646 3.446 20 0 JGADRO COC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001301405074 1066187611 /nfs/dbraw/zinc/18/76/11/1066187611.db2.gz IKKGNOWWDIZJNA-JOCHJYFZSA-N 1 0 457.619 3.200 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+](C)C2CCCC2)CCO1 ZINC001301406031 1066188124 /nfs/dbraw/zinc/18/81/24/1066188124.db2.gz KQESJSBVNBWRLO-QHCPKHFHSA-N 1 0 457.619 3.200 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+](C)C)C[C@H](C)O1 ZINC001301406805 1066189190 /nfs/dbraw/zinc/18/91/90/1066189190.db2.gz NBTZKTVGXBGBFG-DXIQSLLYSA-N 1 0 459.635 3.345 20 0 JGADRO COC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001301409788 1066195950 /nfs/dbraw/zinc/19/59/50/1066195950.db2.gz KPZCFZKIGGPOOI-YADHBBJMSA-N 1 0 457.619 3.138 20 0 JGADRO COC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001301414247 1066203702 /nfs/dbraw/zinc/20/37/02/1066203702.db2.gz MZADCVIMZVUJIW-GXRSIYKFSA-N 1 0 463.667 3.313 20 0 JGADRO COCCC(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001301415972 1066206500 /nfs/dbraw/zinc/20/65/00/1066206500.db2.gz CVROJUMJHIECTA-JOCHJYFZSA-N 1 0 457.619 3.317 20 0 JGADRO COCCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001301429986 1066227732 /nfs/dbraw/zinc/22/77/32/1066227732.db2.gz KEOIMPFDPMDNQY-UHFFFAOYSA-N 1 0 453.635 3.500 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CCCC3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001301945798 1066234811 /nfs/dbraw/zinc/23/48/11/1066234811.db2.gz WYNZLSCAKUVIHW-JTHBVZDNSA-N 1 0 474.694 3.110 20 0 JGADRO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001301947676 1066239080 /nfs/dbraw/zinc/23/90/80/1066239080.db2.gz CBQODVZPKAIWKH-QFIPXVFZSA-N 1 0 488.702 3.498 20 0 JGADRO COCC[C@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001301437751 1066239458 /nfs/dbraw/zinc/23/94/58/1066239458.db2.gz MCPXNSRCQKYVCX-JTSKRJEESA-N 1 0 496.425 3.309 20 0 JGADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccn2)n1CC1([NH+](C)C)CCCC1 ZINC001301948489 1066242481 /nfs/dbraw/zinc/24/24/81/1066242481.db2.gz KYFIHGUIYZZMIM-UHFFFAOYSA-N 1 0 467.643 3.419 20 0 JGADRO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCOC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001301949002 1066244036 /nfs/dbraw/zinc/24/40/36/1066244036.db2.gz YKPWSWIWUDRAQY-UGKGYDQZSA-N 1 0 474.675 3.107 20 0 JGADRO COCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001301950804 1066248182 /nfs/dbraw/zinc/24/81/82/1066248182.db2.gz KLRYBUJIZGMDIW-NRFANRHFSA-N 1 0 468.646 3.189 20 0 JGADRO COCCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301954715 1066258222 /nfs/dbraw/zinc/25/82/22/1066258222.db2.gz QJNAWXNDJRWNPB-WOJBJXKFSA-N 1 0 488.702 3.030 20 0 JGADRO COCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001301955493 1066259591 /nfs/dbraw/zinc/25/95/91/1066259591.db2.gz YSQOTJYQAAMTBL-LJQANCHMSA-N 1 0 476.691 3.210 20 0 JGADRO COCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001301453516 1066269929 /nfs/dbraw/zinc/26/99/29/1066269929.db2.gz USZZCXUGBALPAG-KJOQGJGQSA-N 1 0 471.646 3.060 20 0 JGADRO COCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001301453515 1066269975 /nfs/dbraw/zinc/26/99/75/1066269975.db2.gz USZZCXUGBALPAG-JJTGBXKASA-N 1 0 471.646 3.060 20 0 JGADRO COCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001301455866 1066273895 /nfs/dbraw/zinc/27/38/95/1066273895.db2.gz NUVMJRWLGFOLDH-PXDATVDWSA-N 1 0 490.718 3.370 20 0 JGADRO COCC[C@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001301459759 1066279549 /nfs/dbraw/zinc/27/95/49/1066279549.db2.gz OIJZSJCGUVVVRU-VWLOTQADSA-N 1 0 457.619 3.018 20 0 JGADRO COCC[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301462502 1066285349 /nfs/dbraw/zinc/28/53/49/1066285349.db2.gz IQMMBLFTIKBXTR-UQBPGWFLSA-N 1 0 494.681 3.058 20 0 JGADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)C[NH+](C)C ZINC001301989905 1066308086 /nfs/dbraw/zinc/30/80/86/1066308086.db2.gz QESXATOBTHHZEM-QZTJIDSGSA-N 1 0 472.659 3.339 20 0 JGADRO CC(C)(C)OC(=O)NCC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC(O)C1 ZINC001301486164 1066309283 /nfs/dbraw/zinc/30/92/83/1066309283.db2.gz MPCSCJGMWOYCQR-XHHNVCIESA-N 1 0 457.615 3.071 20 0 JGADRO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001301992000 1066314300 /nfs/dbraw/zinc/31/43/00/1066314300.db2.gz WRKQLVGTYRKVAT-AIDKGEFFSA-N 1 0 493.693 3.144 20 0 JGADRO C[C@@H](C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC001301493737 1066319122 /nfs/dbraw/zinc/31/91/22/1066319122.db2.gz FLRVTZXSFHUKPZ-QRVBRYPASA-N 1 0 452.640 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CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CC1 ZINC001302194215 1066681205 /nfs/dbraw/zinc/68/12/05/1066681205.db2.gz CXGFAZDLEGFZCJ-UHFFFAOYSA-N 1 0 453.990 3.447 20 0 JGADRO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301751270 1066682151 /nfs/dbraw/zinc/68/21/51/1066682151.db2.gz XYTNCZPZUZYBGH-QFIPXVFZSA-N 1 0 468.646 3.407 20 0 JGADRO COCCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C[NH+](C)C)[C@@H]1CC[C@H](C)C1 ZINC001301753757 1066684267 /nfs/dbraw/zinc/68/42/67/1066684267.db2.gz LEDFJRKHKFIBGI-ZWKOTPCHSA-N 1 0 460.623 3.235 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)(F)F)CC1 ZINC001302195464 1066684289 /nfs/dbraw/zinc/68/42/89/1066684289.db2.gz RCSXEZUFUYHWPM-UHFFFAOYSA-N 1 0 472.512 3.243 20 0 JGADRO COCCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C[NH+](C)C)[C@H]1CC[C@@H](C)C1 ZINC001301753752 1066684308 /nfs/dbraw/zinc/68/43/08/1066684308.db2.gz LEDFJRKHKFIBGI-MSOLQXFVSA-N 1 0 460.623 3.235 20 0 JGADRO COCCN(c1nnc(-c2cccc(C)n2)n1CC1([NH+](C)C)CCOCC1)[C@H]1CC[C@@H](C)C1 ZINC001301754616 1066685103 /nfs/dbraw/zinc/68/51/03/1066685103.db2.gz PATXRLHGDARFIR-CTNGQTDRSA-N 1 0 456.635 3.401 20 0 JGADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001302196065 1066685833 /nfs/dbraw/zinc/68/58/33/1066685833.db2.gz ZAMKFYTVJCCQRU-KRWDZBQOSA-N 1 0 466.051 3.344 20 0 JGADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C2CC2)[NH+](C)C)[C@@H](C)C1 ZINC001301757282 1066690371 /nfs/dbraw/zinc/69/03/71/1066690371.db2.gz REHDJIUGFWFASL-AVRDEDQJSA-N 1 0 456.660 3.276 20 0 JGADRO COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CC[C@@H](C)C1 ZINC001301757355 1066690382 /nfs/dbraw/zinc/69/03/82/1066690382.db2.gz LQKBPUCFMPGALV-MBDNFAEBSA-N 1 0 495.734 3.332 20 0 JGADRO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001301757944 1066692755 /nfs/dbraw/zinc/69/27/55/1066692755.db2.gz DMXIXSWIAZGAKE-UHFFFAOYSA-N 1 0 468.646 3.442 20 0 JGADRO 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COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](COC)OC)C[C@H]1C ZINC001301888440 1066903964 /nfs/dbraw/zinc/90/39/64/1066903964.db2.gz PEULBHDPRZEXIU-NVXWUHKLSA-N 1 0 472.417 3.070 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001301889081 1066905463 /nfs/dbraw/zinc/90/54/63/1066905463.db2.gz SRCLYDOXYFHISE-KRWDZBQOSA-N 1 0 476.622 3.307 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(Cl)nc2)C[C@@H]1C ZINC001301889245 1066906639 /nfs/dbraw/zinc/90/66/39/1066906639.db2.gz YIPOXIOQJAHWCV-HNNXBMFYSA-N 1 0 462.385 3.247 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)Nc2ccccc2)C[C@H]1C ZINC001301889261 1066906709 /nfs/dbraw/zinc/90/67/09/1066906709.db2.gz YPYFNICTZHVGGO-GOSISDBHSA-N 1 0 484.004 3.179 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001302312239 1066907009 /nfs/dbraw/zinc/90/70/09/1066907009.db2.gz XBBAJEYTQWLXSR-PXCRPINLSA-N 1 0 463.648 3.228 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001302312721 1066908350 /nfs/dbraw/zinc/90/83/50/1066908350.db2.gz ZHSUQHKJBJDJCW-TYPHKJRUSA-N 1 0 481.707 3.081 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001301890076 1066909413 /nfs/dbraw/zinc/90/94/13/1066909413.db2.gz GHKNUBVGDZIUHG-FQEVSTJZSA-N 1 0 468.646 3.309 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)c2cccs2)C[C@@H]1C ZINC001301890094 1066909580 /nfs/dbraw/zinc/90/95/80/1066909580.db2.gz GTKJTWDWQFEHBV-MHECFPHRSA-N 1 0 471.627 3.080 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(CCc3ccccc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001301890666 1066910445 /nfs/dbraw/zinc/91/04/45/1066910445.db2.gz MRTBMMBPZQLQHJ-UHFFFAOYSA-N 1 0 452.647 3.290 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001301890919 1066910636 /nfs/dbraw/zinc/91/06/36/1066910636.db2.gz MGPOTSMWZXQNTL-VQTJNVASSA-N 1 0 472.634 3.263 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](OC)C2CC2)C[C@@H]1C ZINC001301892898 1066914034 /nfs/dbraw/zinc/91/40/34/1066914034.db2.gz XCFFMJDGBOTEBI-JXFKEZNVSA-N 1 0 478.435 3.290 20 0 JGADRO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001302320035 1066916457 /nfs/dbraw/zinc/91/64/57/1066916457.db2.gz BZCZNSIXYVXOEJ-GMWXTNTRSA-N 1 0 495.734 3.396 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001301895825 1066916714 /nfs/dbraw/zinc/91/67/14/1066916714.db2.gz AGJMXRGGRSCILB-GOSISDBHSA-N 1 0 470.021 3.265 20 0 JGADRO CC(C)(C)[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302320378 1066917704 /nfs/dbraw/zinc/91/77/04/1066917704.db2.gz DLLMIPHBGBUVPV-XIFFEERXSA-N 1 0 495.093 3.089 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2Cc2c(F)cccc2SC)C[C@H]1C ZINC001301896180 1066917838 /nfs/dbraw/zinc/91/78/38/1066917838.db2.gz OYONSHCRSKMPNY-QGZVFWFLSA-N 1 0 456.591 3.406 20 0 JGADRO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001302320873 1066918608 /nfs/dbraw/zinc/91/86/08/1066918608.db2.gz KNZHFSNQFPOFKM-HXUWFJFHSA-N 1 0 477.650 3.286 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSC[C@H]2C)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001302320948 1066918635 /nfs/dbraw/zinc/91/86/35/1066918635.db2.gz LIEWGFAPXZPLLX-HZEGPAAWSA-N 1 0 451.681 3.454 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)c2nccs2)C[C@@H]1C ZINC001301896300 1066918664 /nfs/dbraw/zinc/91/86/64/1066918664.db2.gz IOWMZSCPQONOTQ-MSOLQXFVSA-N 1 0 456.616 3.371 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@H](C)[C@H]2C)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302323289 1066920943 /nfs/dbraw/zinc/92/09/43/1066920943.db2.gz WQDYABUVZZSGNX-URLVKDPJSA-N 1 0 489.686 3.321 20 0 JGADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001301897918 1066921936 /nfs/dbraw/zinc/92/19/36/1066921936.db2.gz AETODMFWUVUORW-YLJYHZDGSA-N 1 0 493.027 3.199 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001301900706 1066925638 /nfs/dbraw/zinc/92/56/38/1066925638.db2.gz MNJUXFFUDIYHIU-SFHVURJKSA-N 1 0 489.546 3.462 20 0 JGADRO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001302326573 1066927490 /nfs/dbraw/zinc/92/74/90/1066927490.db2.gz QMKSOTNXHJHQRU-GSTQUKTASA-N 1 0 481.707 3.006 20 0 JGADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301904576 1066930076 /nfs/dbraw/zinc/93/00/76/1066930076.db2.gz RWKOXVBIEZBZRU-ZVDOUQERSA-N 1 0 489.064 3.308 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C3CCC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001301906886 1066931110 /nfs/dbraw/zinc/93/11/10/1066931110.db2.gz HXZDXQUEGHCXGT-MRXNPFEDSA-N 1 0 464.010 3.421 20 0 JGADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCCCC[NH+]1CCCC1 ZINC001302330490 1066931103 /nfs/dbraw/zinc/93/11/03/1066931103.db2.gz RAOMOLBBAINMOA-BHDDXSALSA-N 1 0 495.734 3.476 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C3CCCC3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001301907877 1066932457 /nfs/dbraw/zinc/93/24/57/1066932457.db2.gz RFFIYABAYPSDEF-QGZVFWFLSA-N 1 0 482.551 3.477 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccccc2-c2cnn(C)c2)C[C@@H]1C ZINC001301909679 1066933388 /nfs/dbraw/zinc/93/33/88/1066933388.db2.gz DQTMZLPKEZVUMX-FQEVSTJZSA-N 1 0 451.619 3.082 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C ZINC001301909463 1066933624 /nfs/dbraw/zinc/93/36/24/1066933624.db2.gz BSTMPKCAUNMSTJ-INIZCTEOSA-N 1 0 455.525 3.422 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301910466 1066934811 /nfs/dbraw/zinc/93/48/11/1066934811.db2.gz CNSCCGKWGHEVDS-MIZPHKNDSA-N 1 0 491.080 3.285 20 0 JGADRO CC(C)(Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCCC1 ZINC001302336862 1066936299 /nfs/dbraw/zinc/93/62/99/1066936299.db2.gz WJPLSYLIJDFINH-QGZVFWFLSA-N 1 0 479.551 3.109 20 0 JGADRO CC(C)(Cn1c(C2CC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001302338975 1066937534 /nfs/dbraw/zinc/93/75/34/1066937534.db2.gz SSMTXJLSPNPAST-UHFFFAOYSA-N 1 0 456.557 3.315 20 0 JGADRO Cc1[nH]nc(I)c1C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001302340539 1066938745 /nfs/dbraw/zinc/93/87/45/1066938745.db2.gz SAHOKUXBDJRKFP-MRXNPFEDSA-N 1 0 452.340 3.497 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CC(C)C)n2Cc2c(F)cccc2N2CCCC2)C[C@H]1C ZINC001301912478 1066939388 /nfs/dbraw/zinc/93/93/88/1066939388.db2.gz RQVBVNGVRFNYAL-HXUWFJFHSA-N 1 0 458.626 3.421 20 0 JGADRO CC(C)(Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001302345411 1066942689 /nfs/dbraw/zinc/94/26/89/1066942689.db2.gz SYGCNIMGLOFBNB-FQEVSTJZSA-N 1 0 499.660 3.192 20 0 JGADRO CON(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302347509 1066943919 /nfs/dbraw/zinc/94/39/19/1066943919.db2.gz JXXLINGXGYBWCT-KDURUIRLSA-N 1 0 456.639 3.206 20 0 JGADRO CC(C)(Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001302349667 1066944826 /nfs/dbraw/zinc/94/48/26/1066944826.db2.gz FNTMQKPCIWXUIY-FQEVSTJZSA-N 1 0 480.078 3.268 20 0 JGADRO CC(C)(Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001302351317 1066945755 /nfs/dbraw/zinc/94/57/55/1066945755.db2.gz UWJNRRZZUKGENJ-FQEVSTJZSA-N 1 0 476.666 3.083 20 0 JGADRO CC(C)(Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1)C[NH+]1CCCC1 ZINC001302351603 1066946078 /nfs/dbraw/zinc/94/60/78/1066946078.db2.gz YIKOWCZERMUEMO-UHFFFAOYSA-N 1 0 476.666 3.351 20 0 JGADRO CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001301916036 1066946509 /nfs/dbraw/zinc/94/65/09/1066946509.db2.gz HSBTYESCTCZYGM-HXUWFJFHSA-N 1 0 474.053 3.468 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001301916522 1066947037 /nfs/dbraw/zinc/94/70/37/1066947037.db2.gz XTEKRIHVGSKULK-YLJYHZDGSA-N 1 0 494.036 3.396 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccccc2F)C[C@H]1C ZINC001301918304 1066948282 /nfs/dbraw/zinc/94/82/82/1066948282.db2.gz HDBWTSNQZURYEB-WOJBJXKFSA-N 1 0 468.577 3.027 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2cccc(C)c2)C[C@@H]1C ZINC001301918344 1066948365 /nfs/dbraw/zinc/94/83/65/1066948365.db2.gz IJUBIOUGOXRTSL-FCHUYYIVSA-N 1 0 464.614 3.197 20 0 JGADRO CON(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302357313 1066948905 /nfs/dbraw/zinc/94/89/05/1066948905.db2.gz NQILEDOPTZLWHT-UHFFFAOYSA-N 1 0 458.651 3.426 20 0 JGADRO CON(C)c1nnc(COc2ccc(Br)cc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001302358264 1066949485 /nfs/dbraw/zinc/94/94/85/1066949485.db2.gz ZOLFEOBDILFAGZ-UHFFFAOYSA-N 1 0 480.407 3.262 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCS2)C[C@@H]1C ZINC001301918969 1066949745 /nfs/dbraw/zinc/94/97/45/1066949745.db2.gz LZNVCXQEGKVHQB-QFBILLFUSA-N 1 0 450.678 3.076 20 0 JGADRO 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COCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@H]1C ZINC001301919350 1066951745 /nfs/dbraw/zinc/95/17/45/1066951745.db2.gz RKPOIUNLXWBNAU-XXBNENTESA-N 1 0 485.032 3.462 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCSC(F)(F)F)C[C@H]1C ZINC001301919674 1066952091 /nfs/dbraw/zinc/95/20/91/1066952091.db2.gz SOKPKXMBIALHMX-CYBMUJFWSA-N 1 0 464.583 3.044 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCCS2)C[C@@H]1C ZINC001301920043 1066952782 /nfs/dbraw/zinc/95/27/82/1066952782.db2.gz MQDABUJNRHUNTE-PZJWPPBQSA-N 1 0 459.660 3.320 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)C[C@H]1C ZINC001301919809 1066952998 /nfs/dbraw/zinc/95/29/98/1066952998.db2.gz VJGSBAYVZKFWDM-JCTONOIOSA-N 1 0 470.662 3.262 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2sc(C)nc2C)C[C@H]1C ZINC001301920660 1066953458 /nfs/dbraw/zinc/95/34/58/1066953458.db2.gz QHWYLXLUCJODRJ-QGZVFWFLSA-N 1 0 470.643 3.156 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2sc(C)nc2C)C[C@@H]1C ZINC001301920659 1066953555 /nfs/dbraw/zinc/95/35/55/1066953555.db2.gz QHWYLXLUCJODRJ-KRWDZBQOSA-N 1 0 470.643 3.156 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccccc2C)C[C@H]1C ZINC001301920512 1066953596 /nfs/dbraw/zinc/95/35/96/1066953596.db2.gz YRDHSLYLABLXFH-LJQANCHMSA-N 1 0 454.644 3.342 20 0 JGADRO COCCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001301920891 1066954202 /nfs/dbraw/zinc/95/42/02/1066954202.db2.gz DMGDWHNIDHVGTH-FQEVSTJZSA-N 1 0 460.673 3.063 20 0 JGADRO CO[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001302364229 1066954492 /nfs/dbraw/zinc/95/44/92/1066954492.db2.gz POADMMYJVVMDIF-ABSDTBQOSA-N 1 0 465.545 3.271 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(F)ccc2SC)C[C@H]1C ZINC001301921196 1066954707 /nfs/dbraw/zinc/95/47/07/1066954707.db2.gz REIBJTRQIAEHPS-GOSISDBHSA-N 1 0 470.618 3.330 20 0 JGADRO 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CO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001302405852 1066987129 /nfs/dbraw/zinc/98/71/29/1066987129.db2.gz JTEQUHVSGMTKFL-ZCNNSNEGSA-N 1 0 476.666 3.396 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301940755 1066987365 /nfs/dbraw/zinc/98/73/65/1066987365.db2.gz GTIXCVREUKKYHL-MYDTUXCISA-N 1 0 490.693 3.008 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC001302408395 1066991024 /nfs/dbraw/zinc/99/10/24/1066991024.db2.gz HFMRYCYVVUCWEX-HSZRJFAPSA-N 1 0 482.673 3.148 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301942785 1066992327 /nfs/dbraw/zinc/99/23/27/1066992327.db2.gz NTCQXMIDOMHNIA-RZUBCFFCSA-N 1 0 474.694 3.109 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC2([NH+](C)C)CCC2)C[C@@H]1OC ZINC001302410070 1066993869 /nfs/dbraw/zinc/99/38/69/1066993869.db2.gz PISYSENPSMFVGS-HDICACEKSA-N 1 0 464.408 3.042 20 0 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CC(C)C(=O)NC1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001302421032 1067006632 /nfs/dbraw/zinc/00/66/32/1067006632.db2.gz IKDTWYIWMIRATC-UHFFFAOYSA-N 1 0 453.635 3.203 20 0 JGADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccn3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001302421878 1067007562 /nfs/dbraw/zinc/00/75/62/1067007562.db2.gz PHVWPLZZTCGHMV-HXUWFJFHSA-N 1 0 453.635 3.346 20 0 JGADRO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001302422063 1067008170 /nfs/dbraw/zinc/00/81/70/1067008170.db2.gz FZTYRTVXVHIYHW-LEWJYISDSA-N 1 0 460.667 3.034 20 0 JGADRO CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCCCC2)C1 ZINC001302427750 1067013390 /nfs/dbraw/zinc/01/33/90/1067013390.db2.gz JPPSIHVLOKYUMF-IBGZPJMESA-N 1 0 481.066 3.273 20 0 JGADRO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001303958758 1067013348 /nfs/dbraw/zinc/01/33/48/1067013348.db2.gz HLLUEQMDIRVDRX-UXHICEINSA-N 1 0 460.667 3.035 20 0 JGADRO CC1(C)CCC[N@H+](CCn2c(CN3CCCC3=O)nnc2N2CCC(C(F)(F)F)CC2)C1 ZINC001303963206 1067016361 /nfs/dbraw/zinc/01/63/61/1067016361.db2.gz QZLOIXXTRBITIW-UHFFFAOYSA-N 1 0 456.557 3.301 20 0 JGADRO CC1(C)CCC[N@H+](CCn2c(Cc3cccnc3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001303962912 1067016560 /nfs/dbraw/zinc/01/65/60/1067016560.db2.gz ODKOKOKCBVLPBG-UHFFFAOYSA-N 1 0 465.568 3.070 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001302431287 1067018580 /nfs/dbraw/zinc/01/85/80/1067018580.db2.gz IKCKYTMWFBFPAX-VWLOTQADSA-N 1 0 495.716 3.208 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001302431270 1067018720 /nfs/dbraw/zinc/01/87/20/1067018720.db2.gz IFNRBAQMTYMJDS-OAQYLSRUSA-N 1 0 482.677 3.378 20 0 JGADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001302432091 1067021168 /nfs/dbraw/zinc/02/11/68/1067021168.db2.gz XUYBHTKIWQSPBG-NRFANRHFSA-N 1 0 467.662 3.269 20 0 JGADRO CC1(C)CCO[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001303969904 1067021676 /nfs/dbraw/zinc/02/16/76/1067021676.db2.gz SBIKPKDIIFJYRQ-HXUWFJFHSA-N 1 0 496.578 3.170 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001302433277 1067023717 /nfs/dbraw/zinc/02/37/17/1067023717.db2.gz JHSCNEMHVWUVIS-XPWALMASSA-N 1 0 474.694 3.425 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001302435277 1067029224 /nfs/dbraw/zinc/02/92/24/1067029224.db2.gz SOOOSKCLFCCOGP-HYBUGGRVSA-N 1 0 490.743 3.356 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](C)C)C1 ZINC001302435669 1067030308 /nfs/dbraw/zinc/03/03/08/1067030308.db2.gz VKIBFYOYDYPUCU-UXHICEINSA-N 1 0 465.646 3.289 20 0 JGADRO CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCCC2)C1 ZINC001302435754 1067030917 /nfs/dbraw/zinc/03/09/17/1067030917.db2.gz WTHNSPWBVJKXSD-QGZVFWFLSA-N 1 0 470.014 3.237 20 0 JGADRO CC1(Cn2c(Cc3ccccn3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC001303990896 1067034519 /nfs/dbraw/zinc/03/45/19/1067034519.db2.gz KJMRJXMOOGGSGK-UHFFFAOYSA-N 1 0 452.525 3.155 20 0 JGADRO CS(=O)(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001302440868 1067038007 /nfs/dbraw/zinc/03/80/07/1067038007.db2.gz UKIBZYSKDJMGHH-OAQYLSRUSA-N 1 0 480.078 3.412 20 0 JGADRO CC(C)(C)OC(=O)NC1(C)CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCCC2)CC1 ZINC001303997889 1067040399 /nfs/dbraw/zinc/04/03/99/1067040399.db2.gz WAQQSMMYADFVKD-LJQANCHMSA-N 1 0 462.639 3.499 20 0 JGADRO CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303998489 1067040991 /nfs/dbraw/zinc/04/09/91/1067040991.db2.gz VPMZLTBMZNOMNL-UHFFFAOYSA-N 1 0 467.618 3.486 20 0 JGADRO CC(C)C(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001302442956 1067040912 /nfs/dbraw/zinc/04/09/12/1067040912.db2.gz FBJWVEBBIIDQFP-UHFFFAOYSA-N 1 0 475.726 3.024 20 0 JGADRO CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001302444321 1067042861 /nfs/dbraw/zinc/04/28/61/1067042861.db2.gz RAGCRGYHTXIMMR-LADGPHEKSA-N 1 0 482.673 3.435 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001304010538 1067052617 /nfs/dbraw/zinc/05/26/17/1067052617.db2.gz KGXMSNDYGZPOMB-HSZRJFAPSA-N 1 0 491.640 3.389 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302451435 1067052632 /nfs/dbraw/zinc/05/26/32/1067052632.db2.gz HMWLIKGXONUVHW-JOCHJYFZSA-N 1 0 483.057 3.383 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1([NH+](C)C)CCCCC1 ZINC001302453188 1067055897 /nfs/dbraw/zinc/05/58/97/1067055897.db2.gz QBUGAJUNNCPGKW-UHFFFAOYSA-N 1 0 462.042 3.466 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001304012900 1067056545 /nfs/dbraw/zinc/05/65/45/1067056545.db2.gz ICPMQJIFEAMCEO-PKTZIBPZSA-N 1 0 498.672 3.221 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CCC[NH+]2CCC(O)CC2)c1C ZINC001304013634 1067056841 /nfs/dbraw/zinc/05/68/41/1067056841.db2.gz MRVIEGNUHNAXTA-UHFFFAOYSA-N 1 0 470.662 3.405 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC001304018396 1067061935 /nfs/dbraw/zinc/06/19/35/1067061935.db2.gz JDGBXAMFDXSMPT-QNWVGRARSA-N 1 0 498.672 3.203 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304018588 1067062480 /nfs/dbraw/zinc/06/24/80/1067062480.db2.gz FOLCYASDMRAGCH-MZEQIWSPSA-N 1 0 470.662 3.286 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[NH+]2CCC(C)CC2)c1C ZINC001304021908 1067065910 /nfs/dbraw/zinc/06/59/10/1067065910.db2.gz AHZXIEGYQJXMIQ-FGZHOGPDSA-N 1 0 468.646 3.469 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001304022492 1067066443 /nfs/dbraw/zinc/06/64/43/1067066443.db2.gz WCRHSTITRBEHCS-LEWJYISDSA-N 1 0 468.646 3.469 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001304022495 1067066761 /nfs/dbraw/zinc/06/67/61/1067066761.db2.gz WCRHSTITRBEHCS-SFTDATJTSA-N 1 0 468.646 3.469 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CC(C)(C)C[NH+](C)C)c1C ZINC001304022473 1067066816 /nfs/dbraw/zinc/06/68/16/1067066816.db2.gz DBNGWSRFUJKOBN-HXUWFJFHSA-N 1 0 493.656 3.279 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304028524 1067075815 /nfs/dbraw/zinc/07/58/15/1067075815.db2.gz GHWWQJMAGRDUDG-PZJWPPBQSA-N 1 0 456.635 3.290 20 0 JGADRO CC1=C(C)CN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001304028784 1067076478 /nfs/dbraw/zinc/07/64/78/1067076478.db2.gz HJGNKBXBMDJMIU-UHFFFAOYSA-N 1 0 465.646 3.175 20 0 JGADRO CC(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302477794 1067079001 /nfs/dbraw/zinc/07/90/01/1067079001.db2.gz FXGPJMHPVRNJCS-WOJBJXKFSA-N 1 0 462.683 3.280 20 0 JGADRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)CC1 ZINC001302479939 1067080620 /nfs/dbraw/zinc/08/06/20/1067080620.db2.gz ZIWHWCXXYWRBQM-LJQANCHMSA-N 1 0 451.558 3.358 20 0 JGADRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)CC1 ZINC001302479938 1067080635 /nfs/dbraw/zinc/08/06/35/1067080635.db2.gz ZIWHWCXXYWRBQM-IBGZPJMESA-N 1 0 451.558 3.358 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCN4C(=O)N(C)C[C@@H]4C3)n2CCC[N@@H+](C)C(C)C)c1C ZINC001304031927 1067080966 /nfs/dbraw/zinc/08/09/66/1067080966.db2.gz YKBVJYAODRQVGC-FCHUYYIVSA-N 1 0 483.661 3.321 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001302483152 1067082168 /nfs/dbraw/zinc/08/21/68/1067082168.db2.gz BFDJFAQTPNMSHH-VWLOTQADSA-N 1 0 469.609 3.289 20 0 JGADRO Cc1nc(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)sc1C ZINC001304046267 1067089458 /nfs/dbraw/zinc/08/94/58/1067089458.db2.gz XLRPYOFWRRFOSU-UHFFFAOYSA-N 1 0 473.691 3.387 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302493077 1067092883 /nfs/dbraw/zinc/09/28/83/1067092883.db2.gz QGQVXOGHFZNPPZ-RUZDIDTESA-N 1 0 467.618 3.312 20 0 JGADRO Cc1nc(Cn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001304053801 1067094639 /nfs/dbraw/zinc/09/46/39/1067094639.db2.gz ZAWLEUHYWQNMLI-HSZRJFAPSA-N 1 0 462.664 3.361 20 0 JGADRO Cc1nc(Cn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)sc1C ZINC001304053803 1067094878 /nfs/dbraw/zinc/09/48/78/1067094878.db2.gz ZAWLEUHYWQNMLI-QHCPKHFHSA-N 1 0 462.664 3.361 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302497287 1067095722 /nfs/dbraw/zinc/09/57/22/1067095722.db2.gz LICCNKANJPFQRY-BWKNWUBXSA-N 1 0 476.065 3.478 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302498187 1067096295 /nfs/dbraw/zinc/09/62/95/1067096295.db2.gz QLSHSZUYSUJIMD-IBVKSMDESA-N 1 0 490.693 3.474 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302498893 1067097219 /nfs/dbraw/zinc/09/72/19/1067097219.db2.gz VWHODGUQHBCABL-DFBJGRDBSA-N 1 0 477.600 3.103 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302499455 1067097709 /nfs/dbraw/zinc/09/77/09/1067097709.db2.gz BPDMFLBSCXVOIR-JYFHCDHNSA-N 1 0 455.647 3.019 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC1CCC1 ZINC001302499142 1067097886 /nfs/dbraw/zinc/09/78/86/1067097886.db2.gz BNVZLSKBDNNVLG-AREMUKBSSA-N 1 0 454.663 3.286 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302499457 1067098263 /nfs/dbraw/zinc/09/82/63/1067098263.db2.gz BPDMFLBSCXVOIR-ZEQKJWHPSA-N 1 0 455.647 3.019 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)Cc2cccs2)n1C[C@H](C)[NH+](C)C ZINC001304059541 1067102368 /nfs/dbraw/zinc/10/23/68/1067102368.db2.gz VSLCTWXXSSNVAM-HNNXBMFYSA-N 1 0 461.661 3.195 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCCO[C@H](C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304059660 1067102823 /nfs/dbraw/zinc/10/28/23/1067102823.db2.gz SFHAICZEABOOMB-QUCCMNQESA-N 1 0 491.706 3.138 20 0 JGADRO Cc1n[nH]cc1CCCn1c(CC(C)C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001304063034 1067107363 /nfs/dbraw/zinc/10/73/63/1067107363.db2.gz UDDGJERRKRDRBC-BGYRXZFFSA-N 1 0 457.667 3.467 20 0 JGADRO Cc1ncsc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001304065305 1067109855 /nfs/dbraw/zinc/10/98/55/1067109855.db2.gz HOYXBTLPNWKUDQ-UHFFFAOYSA-N 1 0 482.658 3.491 20 0 JGADRO Cc1ncsc1CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001304065957 1067110670 /nfs/dbraw/zinc/11/06/70/1067110670.db2.gz RNCRMJKKTXMIRV-UHFFFAOYSA-N 1 0 459.664 3.078 20 0 JGADRO CN1CCN(C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC[N@H+](C)CC1 ZINC001304072016 1067116217 /nfs/dbraw/zinc/11/62/17/1067116217.db2.gz HFPFUNDFFFTJBH-UHFFFAOYSA-N 1 0 459.388 3.021 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001302510680 1067119489 /nfs/dbraw/zinc/11/94/89/1067119489.db2.gz NIXDSHNAOOVWEJ-IRLDBZIGSA-N 1 0 474.694 3.281 20 0 JGADRO CSC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001302511011 1067120502 /nfs/dbraw/zinc/12/05/02/1067120502.db2.gz NQEJEKBBJFMHJX-UHFFFAOYSA-N 1 0 456.660 3.368 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCCCC2)CC1 ZINC001302511138 1067121095 /nfs/dbraw/zinc/12/10/95/1067121095.db2.gz QPVLVLVWMDHFQD-RBBKRZOGSA-N 1 0 460.667 3.383 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCC[C@H](C)C2)cnn1C ZINC001304079600 1067124362 /nfs/dbraw/zinc/12/43/62/1067124362.db2.gz OUEBYSWIFBOPDG-HNNXBMFYSA-N 1 0 475.439 3.446 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001302512822 1067125598 /nfs/dbraw/zinc/12/55/98/1067125598.db2.gz GOPQKQSXBWLUFQ-HNAYVOBHSA-N 1 0 493.425 3.279 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCC(F)F)[NH+]1CCOCC1 ZINC001302513070 1067126974 /nfs/dbraw/zinc/12/69/74/1067126974.db2.gz HKFDIZGPSQUGTM-INIZCTEOSA-N 1 0 475.382 3.484 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1C ZINC001304082720 1067129565 /nfs/dbraw/zinc/12/95/65/1067129565.db2.gz PPLQUHDWOPIGSY-KRWDZBQOSA-N 1 0 473.025 3.173 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302514737 1067131748 /nfs/dbraw/zinc/13/17/48/1067131748.db2.gz SACIXXFUEWHVAV-JTAQYXEDSA-N 1 0 488.702 3.408 20 0 JGADRO Cc1ncsc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304087735 1067132208 /nfs/dbraw/zinc/13/22/08/1067132208.db2.gz FSQWYMGZHFYPGB-BQFCYCMXSA-N 1 0 459.664 3.387 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@@H](C)CC(N)=O)[NH+]1CCOCC1 ZINC001302514929 1067132204 /nfs/dbraw/zinc/13/22/04/1067132204.db2.gz UBZVSVPWOBVMSA-KXBFYZLASA-N 1 0 483.444 3.309 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC(N)=O)[NH+]1CCOCC1 ZINC001302514922 1067132320 /nfs/dbraw/zinc/13/23/20/1067132320.db2.gz UBZVSVPWOBVMSA-BEFAXECRSA-N 1 0 483.444 3.309 20 0 JGADRO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cscn1)[NH+]1CCCC1 ZINC001302515128 1067132766 /nfs/dbraw/zinc/13/27/66/1067132766.db2.gz VRTNQXSCRMFJEQ-GOSISDBHSA-N 1 0 454.604 3.139 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cnn1C ZINC001304091355 1067133839 /nfs/dbraw/zinc/13/38/39/1067133839.db2.gz BLUPUECOVXIBPQ-QFIPXVFZSA-N 1 0 450.635 3.310 20 0 JGADRO CC(C)[C@@H](Cn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001302515857 1067134498 /nfs/dbraw/zinc/13/44/98/1067134498.db2.gz NWSLVVPDKOVXEG-LAUBAEHRSA-N 1 0 460.648 3.121 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC001302515928 1067134578 /nfs/dbraw/zinc/13/45/78/1067134578.db2.gz OQTXTVDDJIIALQ-AUSIDOKSSA-N 1 0 497.669 3.456 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cnn1C ZINC001304092010 1067135120 /nfs/dbraw/zinc/13/51/20/1067135120.db2.gz OPWICWYFKXCYBX-IBGZPJMESA-N 1 0 450.635 3.453 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCOCC1 ZINC001302516514 1067135675 /nfs/dbraw/zinc/13/56/75/1067135675.db2.gz UIJPPVQQHGJWIA-FQEVSTJZSA-N 1 0 475.519 3.146 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001302519382 1067139069 /nfs/dbraw/zinc/13/90/69/1067139069.db2.gz NEAZLDNFPGRPNT-GGPKGHCWSA-N 1 0 457.623 3.495 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCC1 ZINC001302519550 1067139562 /nfs/dbraw/zinc/13/95/62/1067139562.db2.gz PYYQSXMHKZHGFP-OAQYLSRUSA-N 1 0 475.037 3.190 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302520870 1067140128 /nfs/dbraw/zinc/14/01/28/1067140128.db2.gz XUNTWWBIMNATSF-KNQAVFIVSA-N 1 0 484.567 3.160 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302520258 1067140177 /nfs/dbraw/zinc/14/01/77/1067140177.db2.gz SJRNYJMXQYSEPI-HXUWFJFHSA-N 1 0 493.578 3.355 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001302521459 1067141038 /nfs/dbraw/zinc/14/10/38/1067141038.db2.gz XZGGAGBLFICVTO-IRLDBZIGSA-N 1 0 499.660 3.190 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1)[NH+]1CCCC1 ZINC001302523890 1067145072 /nfs/dbraw/zinc/14/50/72/1067145072.db2.gz LPMLXHCNJCZCFX-XZOQPEGZSA-N 1 0 476.710 3.087 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001302525178 1067147429 /nfs/dbraw/zinc/14/74/29/1067147429.db2.gz QSYLSSFUOVMYDW-QYZOEREBSA-N 1 0 459.557 3.450 20 0 JGADRO CSC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001302525786 1067149275 /nfs/dbraw/zinc/14/92/75/1067149275.db2.gz GBCSOIKKKQDCKX-WOJBJXKFSA-N 1 0 483.748 3.414 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCCC1 ZINC001302527541 1067154150 /nfs/dbraw/zinc/15/41/50/1067154150.db2.gz YIISHQKXVGREIA-XLIONFOSSA-N 1 0 499.603 3.354 20 0 JGADRO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](C(C)(C)C)CC1)c1cccnc1 ZINC001302528973 1067157196 /nfs/dbraw/zinc/15/71/96/1067157196.db2.gz PGQRFGPKFOCGHY-NRFANRHFSA-N 1 0 453.635 3.156 20 0 JGADRO CS[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001302533780 1067162817 /nfs/dbraw/zinc/16/28/17/1067162817.db2.gz DBACKAONQGMLQG-GOSISDBHSA-N 1 0 460.623 3.117 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304135672 1067174229 /nfs/dbraw/zinc/17/42/29/1067174229.db2.gz HUQPIGIHVYYVEN-PMACEKPBSA-N 1 0 454.619 3.347 20 0 JGADRO CS[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302542633 1067174879 /nfs/dbraw/zinc/17/48/79/1067174879.db2.gz UGXRLYXHKOKCAG-GUDVDZBRSA-N 1 0 463.623 3.467 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H](C)[NH+](C)C ZINC001304139586 1067179921 /nfs/dbraw/zinc/17/99/21/1067179921.db2.gz JHCQXJFTMITKRL-PMACEKPBSA-N 1 0 479.069 3.407 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001304139893 1067180526 /nfs/dbraw/zinc/18/05/26/1067180526.db2.gz PIXOCCMJFZJHHH-SFHLNBCPSA-N 1 0 477.053 3.159 20 0 JGADRO CS[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302546610 1067181638 /nfs/dbraw/zinc/18/16/38/1067181638.db2.gz FELSBBDSOBXOPV-IAGOWNOFSA-N 1 0 497.507 3.346 20 0 JGADRO CS[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302546606 1067181688 /nfs/dbraw/zinc/18/16/88/1067181688.db2.gz FELSBBDSOBXOPV-DLBZAZTESA-N 1 0 497.507 3.346 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304140873 1067182321 /nfs/dbraw/zinc/18/23/21/1067182321.db2.gz OCHRERHTFCYCSB-LFALDJFMSA-N 1 0 478.037 3.369 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001304141631 1067183501 /nfs/dbraw/zinc/18/35/01/1067183501.db2.gz ZEZNPUYRDZAZFD-UYAOXDASSA-N 1 0 475.037 3.497 20 0 JGADRO CS[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001302549546 1067186588 /nfs/dbraw/zinc/18/65/88/1067186588.db2.gz ZPJHUIJJFVEZSX-CVEARBPZSA-N 1 0 497.507 3.487 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)CC2)no1 ZINC001304146310 1067189399 /nfs/dbraw/zinc/18/93/99/1067189399.db2.gz BGLIXLMSFJSJDA-OAQYLSRUSA-N 1 0 471.650 3.292 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)CC2)c(C)o1 ZINC001304146595 1067190789 /nfs/dbraw/zinc/19/07/89/1067190789.db2.gz TYYYDYKFBMIFDU-SFHVURJKSA-N 1 0 486.661 3.153 20 0 JGADRO CC(C)c1ncc(CN(C)c2nnc(-c3cccn3C)n2CC2(O)CC[NH+](C(C)C)CC2)cn1 ZINC001302553432 1067191190 /nfs/dbraw/zinc/19/11/90/1067191190.db2.gz YDZXUFWLAJCYOA-UHFFFAOYSA-N 1 0 466.634 3.069 20 0 JGADRO CC(C)c1nnc([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(OCC[NH+](C)C)cc3)CCO2)o1 ZINC001302558287 1067198247 /nfs/dbraw/zinc/19/82/47/1067198247.db2.gz ZNYKYEJDHQWYMY-NRFANRHFSA-N 1 0 483.617 3.475 20 0 JGADRO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302563022 1067202226 /nfs/dbraw/zinc/20/22/26/1067202226.db2.gz PXLBRPKYTSKHRJ-FQEVSTJZSA-N 1 0 490.718 3.276 20 0 JGADRO CC(C)c1nnc([C@@H]2CN(c3nnc(COc4ccccc4F)n3CC[N@@H+](C)C(C)C)CCO2)o1 ZINC001302562537 1067202456 /nfs/dbraw/zinc/20/24/56/1067202456.db2.gz MYCRYZVEFOUANR-FQEVSTJZSA-N 1 0 487.580 3.421 20 0 JGADRO CS[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001302565607 1067204959 /nfs/dbraw/zinc/20/49/59/1067204959.db2.gz FMXCMULQFXHTFL-FQEVSTJZSA-N 1 0 469.659 3.363 20 0 JGADRO CS[C@H](C)Cn1c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001302570100 1067209310 /nfs/dbraw/zinc/20/93/10/1067209310.db2.gz PSJNHYDLHVRHSX-YYDVJCTNSA-N 1 0 451.681 3.381 20 0 JGADRO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302570350 1067209689 /nfs/dbraw/zinc/20/96/89/1067209689.db2.gz BAUQQLBGPAZULL-NRFANRHFSA-N 1 0 490.718 3.208 20 0 JGADRO Cc1cc(C)cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001304162966 1067209886 /nfs/dbraw/zinc/20/98/86/1067209886.db2.gz CPSOKBCAHQGKRH-LEWJYISDSA-N 1 0 488.702 3.058 20 0 JGADRO CC(C)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302571498 1067211240 /nfs/dbraw/zinc/21/12/40/1067211240.db2.gz FGZHAAKKHKDJCD-DEOSSOPVSA-N 1 0 456.660 3.367 20 0 JGADRO CC(C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302573416 1067212603 /nfs/dbraw/zinc/21/26/03/1067212603.db2.gz VFOSMPVGCQTNCL-KSEOMHKRSA-N 1 0 459.660 3.326 20 0 JGADRO O=C(C[C@@H](c1ccccc1)N1CCOC1=O)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001304166431 1067212773 /nfs/dbraw/zinc/21/27/73/1067212773.db2.gz XICBCKNRLIZETD-DEOSSOPVSA-N 1 0 451.567 3.321 20 0 JGADRO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)C(C)(C)C ZINC001302577680 1067215587 /nfs/dbraw/zinc/21/55/87/1067215587.db2.gz KEHYFQDWJMOHAW-IFMALSPDSA-N 1 0 489.734 3.282 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](N4CCOCC4)[C@@H](C)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304171561 1067219199 /nfs/dbraw/zinc/21/91/99/1067219199.db2.gz RVYHQCMKNJDJAA-ZCYQVOJMSA-N 1 0 484.689 3.361 20 0 JGADRO CS[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC001302582216 1067220983 /nfs/dbraw/zinc/22/09/83/1067220983.db2.gz WUXOONDKUVXIND-LEWJYISDSA-N 1 0 470.687 3.372 20 0 JGADRO CS[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC001302582219 1067221099 /nfs/dbraw/zinc/22/10/99/1067221099.db2.gz WUXOONDKUVXIND-SFTDATJTSA-N 1 0 470.687 3.372 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001304174229 1067222319 /nfs/dbraw/zinc/22/23/19/1067222319.db2.gz OEIIKIOHOJVUCP-UHFFFAOYSA-N 1 0 468.646 3.440 20 0 JGADRO CC(C)c1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302584319 1067222829 /nfs/dbraw/zinc/22/28/29/1067222829.db2.gz CVDYJCLPSRHZNQ-FGZHOGPDSA-N 1 0 459.660 3.185 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001304175584 1067224677 /nfs/dbraw/zinc/22/46/77/1067224677.db2.gz VSNDEGLIGZMYFD-JOCHJYFZSA-N 1 0 466.413 3.440 20 0 JGADRO CC(C)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302588005 1067225320 /nfs/dbraw/zinc/22/53/20/1067225320.db2.gz PFICYGRPMZBOMM-KRWDZBQOSA-N 1 0 458.561 3.341 20 0 JGADRO Cc1noc([C@H]2CCCN(c3nnc(COc4cc(C)cc(C)c4)n3C[C@@H](C)[NH+](C)C)C2)n1 ZINC001304178243 1067227286 /nfs/dbraw/zinc/22/72/86/1067227286.db2.gz WCRZVAQZNAILKN-QUCCMNQESA-N 1 0 453.591 3.499 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](N4CCCC4=O)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304178162 1067227315 /nfs/dbraw/zinc/22/73/15/1067227315.db2.gz VSAMEAMVOWLIFL-NHCUHLMSSA-N 1 0 454.619 3.015 20 0 JGADRO CN1CC[NH+](C2CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)CC2)CC1 ZINC001302596501 1067233375 /nfs/dbraw/zinc/23/33/75/1067233375.db2.gz GVHKJRLUEJNKEZ-QFIPXVFZSA-N 1 0 450.668 3.336 20 0 JGADRO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001302595657 1067233464 /nfs/dbraw/zinc/23/34/64/1067233464.db2.gz RMQJGLIDKNBEKA-RBBKRZOGSA-N 1 0 484.693 3.303 20 0 JGADRO CSC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC[NH+](C)CC1 ZINC001302597426 1067233785 /nfs/dbraw/zinc/23/37/85/1067233785.db2.gz JLAGAHBXWIAOJV-GJZGRUSLSA-N 1 0 483.480 3.477 20 0 JGADRO CSC1(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC[NH+](C)CC1 ZINC001302597427 1067234237 /nfs/dbraw/zinc/23/42/37/1067234237.db2.gz JLAGAHBXWIAOJV-HUUCEWRRSA-N 1 0 483.480 3.477 20 0 JGADRO CSC1(Cn2c(C)nnc2N2CCC[C@H](CNC(=O)c3ccccc3)C2)CC[NH+](C)CC1 ZINC001302598277 1067234819 /nfs/dbraw/zinc/23/48/19/1067234819.db2.gz TYZXCVQBVDSVKX-HXUWFJFHSA-N 1 0 456.660 3.060 20 0 JGADRO CSC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)Cc2ccoc2)CC[NH+](C)CC1 ZINC001302599728 1067236152 /nfs/dbraw/zinc/23/61/52/1067236152.db2.gz XTXHZHHOOMXRJN-UHFFFAOYSA-N 1 0 489.667 3.405 20 0 JGADRO COc1ccc(C(=O)NCC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc1OC ZINC001304187017 1067237185 /nfs/dbraw/zinc/23/71/85/1067237185.db2.gz JDHREUNELPUJEJ-UHFFFAOYSA-N 1 0 451.567 3.047 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302606702 1067240913 /nfs/dbraw/zinc/24/09/13/1067240913.db2.gz IVWOXMVYCHPDAP-JOCHJYFZSA-N 1 0 469.630 3.443 20 0 JGADRO Cc1cc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)c2ccccc2n1 ZINC001304191213 1067241248 /nfs/dbraw/zinc/24/12/48/1067241248.db2.gz YEKDQYQAWGBYAH-IBGZPJMESA-N 1 0 463.630 3.494 20 0 JGADRO CSC1(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC[NH+](C)CC1 ZINC001302608547 1067242762 /nfs/dbraw/zinc/24/27/62/1067242762.db2.gz KMYOJVZJGNKAJR-INIZCTEOSA-N 1 0 457.570 3.285 20 0 JGADRO Cc1cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2n1 ZINC001304194692 1067244181 /nfs/dbraw/zinc/24/41/81/1067244181.db2.gz BIYBYRNYPDCYCY-LJQANCHMSA-N 1 0 463.630 3.481 20 0 JGADRO Cc1cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCOCC[NH+](C)C)c2ccccc2n1 ZINC001304197566 1067246793 /nfs/dbraw/zinc/24/67/93/1067246793.db2.gz VGCBGWUWWOEMCZ-HSZRJFAPSA-N 1 0 452.603 3.241 20 0 JGADRO CSC1(Cn2c([C@H]3CCOC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1 ZINC001302614286 1067247716 /nfs/dbraw/zinc/24/77/16/1067247716.db2.gz VOAKBNLDSBHUOZ-KRWDZBQOSA-N 1 0 477.597 3.159 20 0 JGADRO CC(C)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001302614857 1067248673 /nfs/dbraw/zinc/24/86/73/1067248673.db2.gz PUKXTVKXTNWCBL-QGZVFWFLSA-N 1 0 488.624 3.268 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001302614856 1067248695 /nfs/dbraw/zinc/24/86/95/1067248695.db2.gz PUKXTVKXTNWCBL-KRWDZBQOSA-N 1 0 488.624 3.268 20 0 JGADRO Cc1cc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H]2C)no1 ZINC001304198944 1067249034 /nfs/dbraw/zinc/24/90/34/1067249034.db2.gz ZVMPLXNOCBPKIJ-MRXNPFEDSA-N 1 0 471.993 3.279 20 0 JGADRO CSC1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](CC(N)=O)C2)CC[NH+](C)CC1 ZINC001302616331 1067249898 /nfs/dbraw/zinc/24/98/98/1067249898.db2.gz CTAVOFBZUOTQRW-QGZVFWFLSA-N 1 0 492.640 3.066 20 0 JGADRO CSC1(Cn2c(Cc3ccsc3)nnc2N2CCN(CC(C)C)C(=O)C2)CC[NH+](C)CC1 ZINC001302621630 1067252326 /nfs/dbraw/zinc/25/23/26/1067252326.db2.gz ACILCJZMWZRTCM-UHFFFAOYSA-N 1 0 476.716 3.062 20 0 JGADRO CSC1(Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)S[C@@H](C)C2)CC[NH+](C)CC1 ZINC001302623813 1067253663 /nfs/dbraw/zinc/25/36/63/1067253663.db2.gz QBZDMTCZJVGIOX-OALUTQOASA-N 1 0 463.721 3.297 20 0 JGADRO Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](OCC(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001304211963 1067255704 /nfs/dbraw/zinc/25/57/04/1067255704.db2.gz URGCQNWZYYVIID-OAQYLSRUSA-N 1 0 469.634 3.020 20 0 JGADRO Cc1cc(Cn2c(-c3cc(Br)cn3C)nnc2N2CCC([NH2+]C(C)C)CC2)no1 ZINC001304213689 1067256959 /nfs/dbraw/zinc/25/69/59/1067256959.db2.gz NVXFUIQXTMBEDH-UHFFFAOYSA-N 1 0 462.396 3.358 20 0 JGADRO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](CC(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001304215489 1067258481 /nfs/dbraw/zinc/25/84/81/1067258481.db2.gz WVBREERZJLMXRS-WOJBJXKFSA-N 1 0 489.690 3.113 20 0 JGADRO CC(C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001302629491 1067259466 /nfs/dbraw/zinc/25/94/66/1067259466.db2.gz ZDKRPKFJPOFRAZ-SFHVURJKSA-N 1 0 456.557 3.313 20 0 JGADRO C[C@@]1(NC(=O)CNS(=O)(=O)c2cccs2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218701 1067260249 /nfs/dbraw/zinc/26/02/49/1067260249.db2.gz QZPJPLGQQXFCPW-XUZZJYLKSA-N 1 0 469.632 3.201 20 0 JGADRO CSc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001302632100 1067260494 /nfs/dbraw/zinc/26/04/94/1067260494.db2.gz KPNSGFCLUGQCEO-QFIPXVFZSA-N 1 0 499.729 3.100 20 0 JGADRO CSc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001302632099 1067260579 /nfs/dbraw/zinc/26/05/79/1067260579.db2.gz KPNSGFCLUGQCEO-JOCHJYFZSA-N 1 0 499.729 3.100 20 0 JGADRO Cc1cc(Cn2c(CC(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cs1 ZINC001304221493 1067261842 /nfs/dbraw/zinc/26/18/42/1067261842.db2.gz JNGNOFXQABYGAH-QFIPXVFZSA-N 1 0 460.692 3.126 20 0 JGADRO CSC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCn2cccn2)CC[NH+](C)CC1 ZINC001302635970 1067265855 /nfs/dbraw/zinc/26/58/55/1067265855.db2.gz WNSMPOPYRUBGPJ-WOJBJXKFSA-N 1 0 475.707 3.357 20 0 JGADRO Cc1cc(CN2CCN(c3nnc(Cc4csc(C)n4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)no1 ZINC001304231608 1067268542 /nfs/dbraw/zinc/26/85/42/1067268542.db2.gz ZBYXEDRUPUZNBB-JOCHJYFZSA-N 1 0 486.690 3.229 20 0 JGADRO CC(C)c1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302639324 1067268675 /nfs/dbraw/zinc/26/86/75/1067268675.db2.gz ZXHHMYYEKUHPSZ-QPPBQGQZSA-N 1 0 462.038 3.086 20 0 JGADRO CC(C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001302644416 1067272702 /nfs/dbraw/zinc/27/27/02/1067272702.db2.gz WOKXPKYPVDCPRE-UHFFFAOYSA-N 1 0 463.630 3.414 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302647389 1067275903 /nfs/dbraw/zinc/27/59/03/1067275903.db2.gz FGZNCWRGMZRUSH-WOJBJXKFSA-N 1 0 478.682 3.378 20 0 JGADRO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2)nc(C(C)C)n1 ZINC001304245926 1067281708 /nfs/dbraw/zinc/28/17/08/1067281708.db2.gz SZEPVKGPAXIZDA-JOCHJYFZSA-N 1 0 484.693 3.451 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCS(=O)(=O)Cc1ccccc1 ZINC001302654394 1067282065 /nfs/dbraw/zinc/28/20/65/1067282065.db2.gz HZIWVVUWKJTYRR-QFIPXVFZSA-N 1 0 459.660 3.471 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001302662104 1067288990 /nfs/dbraw/zinc/28/89/90/1067288990.db2.gz ZYDZAGHIFPAUIR-OAQYLSRUSA-N 1 0 480.723 3.354 20 0 JGADRO Cc1ccc(C(=O)N2CCN(c3nnc(Cc4cccnc4)n3CC(C)(C)C[NH+](C)C)CC2)cc1 ZINC001304259492 1067293646 /nfs/dbraw/zinc/29/36/46/1067293646.db2.gz BEYZPHFSMUUMOL-UHFFFAOYSA-N 1 0 475.641 3.123 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302666521 1067293804 /nfs/dbraw/zinc/29/38/04/1067293804.db2.gz PKMNYIFAIJBZAP-AHRSYUTCSA-N 1 0 498.694 3.052 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC[NH+](C)C)C1 ZINC001302667245 1067294227 /nfs/dbraw/zinc/29/42/27/1067294227.db2.gz XBWXXIHPEMHJEA-MRXNPFEDSA-N 1 0 471.469 3.336 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001302671263 1067297211 /nfs/dbraw/zinc/29/72/11/1067297211.db2.gz PKCDEGHPHAPRHJ-JOCHJYFZSA-N 1 0 454.619 3.190 20 0 JGADRO Cc1ccc(C(=O)NCCn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001304263762 1067297976 /nfs/dbraw/zinc/29/79/76/1067297976.db2.gz RKHIGDZSOKOBQD-UHFFFAOYSA-N 1 0 461.614 3.165 20 0 JGADRO Cc1ccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1F ZINC001304266742 1067299690 /nfs/dbraw/zinc/29/96/90/1067299690.db2.gz INXJAUKMQSRVCC-UHFFFAOYSA-N 1 0 479.604 3.062 20 0 JGADRO CS[C@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001302676195 1067301743 /nfs/dbraw/zinc/30/17/43/1067301743.db2.gz BJNRREBVDUGBMT-JXQFQVJHSA-N 1 0 494.706 3.139 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304270750 1067305503 /nfs/dbraw/zinc/30/55/03/1067305503.db2.gz FCLCJYLZSDFCOX-QHCPKHFHSA-N 1 0 498.672 3.068 20 0 JGADRO Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CC[NH+](C(C)C)CC2)n[nH]1 ZINC001304272894 1067308956 /nfs/dbraw/zinc/30/89/56/1067308956.db2.gz HRVMQUPGIZSSCT-UHFFFAOYSA-N 1 0 466.634 3.489 20 0 JGADRO Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC(C)(C)OC(C)(C)C2)[NH+](C)C)cc1 ZINC001304273262 1067309511 /nfs/dbraw/zinc/30/95/11/1067309511.db2.gz JOBYOWDMKRPIAH-HXUWFJFHSA-N 1 0 456.635 3.421 20 0 JGADRO 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CSCCCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302783604 1067376874 /nfs/dbraw/zinc/37/68/74/1067376874.db2.gz MKPCCMJJLQJAMU-UHFFFAOYSA-N 1 0 482.702 3.346 20 0 JGADRO Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[NH+]2CCCCCC2)cc1Br ZINC001304328779 1067377037 /nfs/dbraw/zinc/37/70/37/1067377037.db2.gz XDVLLQTWXPEHSP-UHFFFAOYSA-N 1 0 496.475 3.127 20 0 JGADRO Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)cc1Br ZINC001304329028 1067377225 /nfs/dbraw/zinc/37/72/25/1067377225.db2.gz ZXYRXGYRWXXNBS-PKOBYXMFSA-N 1 0 478.435 3.088 20 0 JGADRO CSCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](c1ccco1)[NH+](C)C ZINC001302788758 1067380065 /nfs/dbraw/zinc/38/00/65/1067380065.db2.gz WHITUAGMMNLYFB-LJQANCHMSA-N 1 0 481.626 3.277 20 0 JGADRO Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C3CCCC3)CC2)c(C)c1 ZINC001304332745 1067379987 /nfs/dbraw/zinc/37/99/87/1067379987.db2.gz GVRAJPCBTAUCMD-OAQYLSRUSA-N 1 0 488.702 3.203 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001302789043 1067380342 /nfs/dbraw/zinc/38/03/42/1067380342.db2.gz OLKDMUKLMFLKPO-DENIHFKCSA-N 1 0 484.428 3.092 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001302789399 1067380856 /nfs/dbraw/zinc/38/08/56/1067380856.db2.gz QDRDHYOIADUTRE-IBGZPJMESA-N 1 0 474.675 3.395 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)o1 ZINC001304338176 1067383596 /nfs/dbraw/zinc/38/35/96/1067383596.db2.gz NWRILYVRKNMYDF-DHIUTWEWSA-N 1 0 463.648 3.294 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)o1 ZINC001304338344 1067383709 /nfs/dbraw/zinc/38/37/09/1067383709.db2.gz NWRILYVRKNMYDF-XZOQPEGZSA-N 1 0 463.648 3.294 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCC2)s1 ZINC001304343400 1067386739 /nfs/dbraw/zinc/38/67/39/1067386739.db2.gz YGTOOIDSFSVSTN-IBGZPJMESA-N 1 0 465.689 3.453 20 0 JGADRO CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001302798481 1067387428 /nfs/dbraw/zinc/38/74/28/1067387428.db2.gz YDLVFWWNEVAJCB-LSQMVHIFSA-N 1 0 490.737 3.159 20 0 JGADRO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC001304349799 1067391170 /nfs/dbraw/zinc/39/11/70/1067391170.db2.gz JBCDVZACEYIKPA-FQEVSTJZSA-N 1 0 474.675 3.008 20 0 JGADRO Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001304350110 1067391452 /nfs/dbraw/zinc/39/14/52/1067391452.db2.gz QKOKPBLRJHVKQA-HDICACEKSA-N 1 0 455.994 3.291 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCCO2)[NH+](C)C ZINC001302803991 1067392081 /nfs/dbraw/zinc/39/20/81/1067392081.db2.gz LITIXBHVAXSWLO-HXUWFJFHSA-N 1 0 493.612 3.309 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2)CC1)[NH+](C)C ZINC001302804108 1067392106 /nfs/dbraw/zinc/39/21/06/1067392106.db2.gz NEISNTDBALINII-QFIPXVFZSA-N 1 0 455.651 3.109 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C ZINC001302804361 1067392552 /nfs/dbraw/zinc/39/25/52/1067392552.db2.gz POIHXBTZWBJCEM-GHTZIAJQSA-N 1 0 460.598 3.110 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2ncc3n2CCCC3)CC1)[NH+](C)C ZINC001302805116 1067393203 /nfs/dbraw/zinc/39/32/03/1067393203.db2.gz WPXRBHJNDFXSGA-JOCHJYFZSA-N 1 0 484.693 3.309 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C(C)C)C1)[NH+](C)C ZINC001302805460 1067393545 /nfs/dbraw/zinc/39/35/45/1067393545.db2.gz YYOJFONJSNEVJV-RTBURBONSA-N 1 0 459.664 3.480 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001302807200 1067394530 /nfs/dbraw/zinc/39/45/30/1067394530.db2.gz CXEAOEMQMSSSEL-QWFCFKBJSA-N 1 0 460.598 3.200 20 0 JGADRO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807552 1067395002 /nfs/dbraw/zinc/39/50/02/1067395002.db2.gz RIBXRQSODQYCRT-SMIHKQSGSA-N 1 0 490.737 3.258 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCCCC2)C1)[NH+](C)C ZINC001302807645 1067395400 /nfs/dbraw/zinc/39/54/00/1067395400.db2.gz HNQLDWNPOOIYGW-OALUTQOASA-N 1 0 486.752 3.121 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001302808847 1067396970 /nfs/dbraw/zinc/39/69/70/1067396970.db2.gz ROVAHCBWQLXKKJ-DLBZAZTESA-N 1 0 497.507 3.266 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2OCO[C@H]2C1)[NH+](C)C ZINC001302808861 1067397110 /nfs/dbraw/zinc/39/71/10/1067397110.db2.gz RPTBVLCPRZXZQS-GBESFXJTSA-N 1 0 464.408 3.245 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001302808915 1067397157 /nfs/dbraw/zinc/39/71/57/1067397157.db2.gz SFJOFVRNCORYKP-NLWGTHIKSA-N 1 0 460.598 3.235 20 0 JGADRO Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC001304359237 1067398003 /nfs/dbraw/zinc/39/80/03/1067398003.db2.gz WDTNCQAMAACMEU-DEOSSOPVSA-N 1 0 454.663 3.065 20 0 JGADRO Cc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC001304359239 1067398305 /nfs/dbraw/zinc/39/83/05/1067398305.db2.gz WDTNCQAMAACMEU-XMMPIXPASA-N 1 0 454.663 3.065 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001302809624 1067398246 /nfs/dbraw/zinc/39/82/46/1067398246.db2.gz YDXZZDLRPLGQCV-PMACEKPBSA-N 1 0 470.643 3.093 20 0 JGADRO Cc1ccc(Cn2c(CC(C)C)nnc2N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(=O)n1C ZINC001304359397 1067398480 /nfs/dbraw/zinc/39/84/80/1067398480.db2.gz KMXVNYTYFMKWBO-HSZRJFAPSA-N 1 0 462.642 3.490 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CC2)C(=O)C1)[NH+](C)C ZINC001302811068 1067399060 /nfs/dbraw/zinc/39/90/60/1067399060.db2.gz DNSAWZZDYZXNSZ-GOSISDBHSA-N 1 0 489.462 3.495 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1)[NH+](C)C ZINC001302812209 1067399747 /nfs/dbraw/zinc/39/97/47/1067399747.db2.gz PJBCHZNXRXMHLK-UNMCSNQZSA-N 1 0 456.635 3.338 20 0 JGADRO CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001302814030 1067401341 /nfs/dbraw/zinc/40/13/41/1067401341.db2.gz NZKKSYMSHCAGBU-FQEVSTJZSA-N 1 0 477.700 3.034 20 0 JGADRO CSCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001302814759 1067401864 /nfs/dbraw/zinc/40/18/64/1067401864.db2.gz VRFPZDINZTXEBH-UHFFFAOYSA-N 1 0 458.680 3.126 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001304364948 1067403277 /nfs/dbraw/zinc/40/32/77/1067403277.db2.gz JMWCUQPZHSTXBU-YLJYHZDGSA-N 1 0 480.654 3.093 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](COc2ccccc2)C1)[NH+](C)C ZINC001302816646 1067403764 /nfs/dbraw/zinc/40/37/64/1067403764.db2.gz ALCIQWXXHDTUBC-WMTXJRDZSA-N 1 0 471.646 3.433 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001304365295 1067404242 /nfs/dbraw/zinc/40/42/42/1067404242.db2.gz MIYWSZZVBZCADQ-XMMPIXPASA-N 1 0 483.617 3.447 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)C1)[NH+](C)C ZINC001302817396 1067404729 /nfs/dbraw/zinc/40/47/29/1067404729.db2.gz KQSQMEUDSNKPLP-ROUUACIJSA-N 1 0 479.720 3.156 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001302817395 1067404747 /nfs/dbraw/zinc/40/47/47/1067404747.db2.gz DCLOEMLOPUYKIR-MHTWAQMVSA-N 1 0 494.681 3.176 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)C1)[NH+](C)C ZINC001302817394 1067404758 /nfs/dbraw/zinc/40/47/58/1067404758.db2.gz KQSQMEUDSNKPLP-QZTJIDSGSA-N 1 0 479.720 3.156 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)[NH+](C)C ZINC001302817858 1067405156 /nfs/dbraw/zinc/40/51/56/1067405156.db2.gz GRQUYRWLKDKXMH-VIPLHTEESA-N 1 0 492.517 3.177 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@H](C)[NH+](C)C)CC2)cc1F ZINC001304366017 1067405197 /nfs/dbraw/zinc/40/51/97/1067405197.db2.gz BYVUMFBOWMVZCJ-SIKLNZKXSA-N 1 0 486.636 3.103 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)[NH+](C)C ZINC001302817834 1067405193 /nfs/dbraw/zinc/40/51/93/1067405193.db2.gz GLZOBWSSQDYHAK-GOTSBHOMSA-N 1 0 477.661 3.135 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1)[NH+](C)C ZINC001302818102 1067405761 /nfs/dbraw/zinc/40/57/61/1067405761.db2.gz MWCNEKSFASUQQF-BDTNDASRSA-N 1 0 460.667 3.239 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCSC1)[NH+](C)C ZINC001302818072 1067405765 /nfs/dbraw/zinc/40/57/65/1067405765.db2.gz MELPUQJZRLXYNF-MSOLQXFVSA-N 1 0 469.659 3.110 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@H](C)[C@H]1C)[NH+](C)C ZINC001302818063 1067405782 /nfs/dbraw/zinc/40/57/82/1067405782.db2.gz MBMHDFONDSBMOJ-GUDVDZBRSA-N 1 0 483.686 3.499 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1)[NH+](C)C ZINC001302818262 1067406093 /nfs/dbraw/zinc/40/60/93/1067406093.db2.gz ICTJBQKCIKWSJF-XMMPIXPASA-N 1 0 481.689 3.469 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001302818162 1067406107 /nfs/dbraw/zinc/40/61/07/1067406107.db2.gz HLVCHKRSAODVAM-WIYYLYMNSA-N 1 0 472.634 3.118 20 0 JGADRO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)C1 ZINC001302819100 1067406548 /nfs/dbraw/zinc/40/65/48/1067406548.db2.gz VXDGCDYRJQUKLY-CTNGQTDRSA-N 1 0 451.336 3.233 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@](O)(c2ccccc2F)C1)[NH+](C)C ZINC001302819774 1067407081 /nfs/dbraw/zinc/40/70/81/1067407081.db2.gz NKOJJKRBBUIDFF-QFQXNSOFSA-N 1 0 466.605 3.477 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1)[NH+](C)C ZINC001302820284 1067407363 /nfs/dbraw/zinc/40/73/63/1067407363.db2.gz OKRMCFYLJOZXLF-GOTSBHOMSA-N 1 0 469.609 3.086 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+](C)C ZINC001302820110 1067407379 /nfs/dbraw/zinc/40/73/79/1067407379.db2.gz DPCKYOSUBSIWCQ-JPYJTQIMSA-N 1 0 463.026 3.189 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001302820400 1067407871 /nfs/dbraw/zinc/40/78/71/1067407871.db2.gz PMCRZADVEXUBPL-GMAHTHKFSA-N 1 0 450.635 3.043 20 0 JGADRO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001304367672 1067407858 /nfs/dbraw/zinc/40/78/58/1067407858.db2.gz OZQKJLAZKIDZLB-SFHVURJKSA-N 1 0 456.610 3.299 20 0 JGADRO CC(C)C[C@@H](Cn1c(COc2ccc(Br)cc2)nnc1N1CCOCC1)[NH+](C)C ZINC001302820740 1067408719 /nfs/dbraw/zinc/40/87/19/1067408719.db2.gz GIZGIKUOEDZLFJ-SFHVURJKSA-N 1 0 466.424 3.433 20 0 JGADRO CC(C)C[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001302821184 1067409173 /nfs/dbraw/zinc/40/91/73/1067409173.db2.gz IAMBEOJAGQWBNJ-REWPJTCUSA-N 1 0 451.681 3.002 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)[NH+](C)C ZINC001302821213 1067409242 /nfs/dbraw/zinc/40/92/42/1067409242.db2.gz UGKLVJKAPYEALK-RBUKOAKNSA-N 1 0 489.615 3.164 20 0 JGADRO CC(C)C[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001302821342 1067409716 /nfs/dbraw/zinc/40/97/16/1067409716.db2.gz WUMGOUJMZVIRDQ-JTHBVZDNSA-N 1 0 473.710 3.045 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@]3([NH+](C)C)CCC[C@H](C)C3)CC2=O)cc1 ZINC001304372460 1067410207 /nfs/dbraw/zinc/41/02/07/1067410207.db2.gz YYFFLIBVYMMXNI-IDISGSTGSA-N 1 0 495.672 3.088 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2[nH]1)[NH+](C)C ZINC001302821604 1067410560 /nfs/dbraw/zinc/41/05/60/1067410560.db2.gz XLNAGNLDKGYFQB-PZJWPPBQSA-N 1 0 472.659 3.274 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2=O)cc1 ZINC001304373620 1067411593 /nfs/dbraw/zinc/41/15/93/1067411593.db2.gz XTBGVROQMFFOLW-OAQYLSRUSA-N 1 0 468.646 3.238 20 0 JGADRO CC(C)C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001302822957 1067411923 /nfs/dbraw/zinc/41/19/23/1067411923.db2.gz QLKHFJXKWAIGOY-HKUYNNGSSA-N 1 0 463.026 3.154 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001302824380 1067412877 /nfs/dbraw/zinc/41/28/77/1067412877.db2.gz JFPUDIYPZNZPAS-VIYGXFRKSA-N 1 0 476.666 3.108 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001302824402 1067413342 /nfs/dbraw/zinc/41/33/42/1067413342.db2.gz JUKJLUSXYXYEJF-ADYITMSISA-N 1 0 474.694 3.374 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](C)C1)[NH+](C)C ZINC001302824607 1067413797 /nfs/dbraw/zinc/41/37/97/1067413797.db2.gz OYQMJBGETNQCBJ-YSTOQKLRSA-N 1 0 464.655 3.250 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001304374886 1067414243 /nfs/dbraw/zinc/41/42/43/1067414243.db2.gz ORVTZDIFRYUCBQ-IBGZPJMESA-N 1 0 450.591 3.001 20 0 JGADRO C[C@@H](C1CCCCC1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001302826000 1067416217 /nfs/dbraw/zinc/41/62/17/1067416217.db2.gz CYOSWFMDAPZOMO-AVRWGWEMSA-N 1 0 489.064 3.333 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304375868 1067416241 /nfs/dbraw/zinc/41/62/41/1067416241.db2.gz RADPNPJHDUSSIS-JOCHJYFZSA-N 1 0 497.688 3.476 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CCC[NH+]1CCC(O)CC1 ZINC001302830041 1067419407 /nfs/dbraw/zinc/41/94/07/1067419407.db2.gz RVXDHOHYJYRDPP-FQEVSTJZSA-N 1 0 484.645 3.477 20 0 JGADRO CC1CCN(c2ccc(NC(=O)CCC(=O)N[C@H]3CCC[C@H]3[NH+]3CCC(O)CC3)cc2)CC1 ZINC001302833707 1067421439 /nfs/dbraw/zinc/42/14/39/1067421439.db2.gz CCBDACCXIWBKPT-BJKOFHAPSA-N 1 0 456.631 3.136 20 0 JGADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H]3CCC[C@@H]3[NH+]3CCC(O)CC3)cc2CC1 ZINC001302835496 1067422943 /nfs/dbraw/zinc/42/29/43/1067422943.db2.gz QTHYEIKCEDRVAP-PKTZIBPZSA-N 1 0 457.615 3.130 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC001304378830 1067423336 /nfs/dbraw/zinc/42/33/36/1067423336.db2.gz SXPWZCDXHMKYOX-OPYAIIAOSA-N 1 0 495.672 3.215 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC001304378832 1067423350 /nfs/dbraw/zinc/42/33/50/1067423350.db2.gz SXPWZCDXHMKYOX-UEXGIBASSA-N 1 0 495.672 3.215 20 0 JGADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302837101 1067423437 /nfs/dbraw/zinc/42/34/37/1067423437.db2.gz REGASXODDAWQCJ-NRFANRHFSA-N 1 0 459.660 3.012 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1C ZINC001304379374 1067423891 /nfs/dbraw/zinc/42/38/91/1067423891.db2.gz WUIIDYNQLWSUCQ-UQBPGWFLSA-N 1 0 495.653 3.213 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001302837835 1067423929 /nfs/dbraw/zinc/42/39/29/1067423929.db2.gz URIFHFMYAKGFTK-JOCHJYFZSA-N 1 0 498.672 3.481 20 0 JGADRO CC(C)Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001302837990 1067424385 /nfs/dbraw/zinc/42/43/85/1067424385.db2.gz DSWHWVUIIRPNGU-UHFFFAOYSA-N 1 0 462.683 3.110 20 0 JGADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CC(=O)NCC(F)(F)F ZINC001302839081 1067425816 /nfs/dbraw/zinc/42/58/16/1067425816.db2.gz XQQSZJRQGIMYFI-UHFFFAOYSA-N 1 0 466.552 3.256 20 0 JGADRO CC(C)Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302839186 1067425863 /nfs/dbraw/zinc/42/58/63/1067425863.db2.gz AZFWDEBHOREQGZ-SZPZYZBQSA-N 1 0 478.726 3.159 20 0 JGADRO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[N@H+]1CC=CCC1 ZINC001302839903 1067426426 /nfs/dbraw/zinc/42/64/26/1067426426.db2.gz JUFQBFQZUFEYDC-NRFANRHFSA-N 1 0 458.676 3.310 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCO[C@H]2CCOC2)cc1C ZINC001304380003 1067426807 /nfs/dbraw/zinc/42/68/07/1067426807.db2.gz NXWXYOUHFBAHLV-QHCPKHFHSA-N 1 0 484.645 3.310 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(NC(=O)C4CC4)CC3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001304380227 1067426828 /nfs/dbraw/zinc/42/68/28/1067426828.db2.gz OVNKUXCQOINSSP-UHFFFAOYSA-N 1 0 495.672 3.373 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CO)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1C ZINC001304380609 1067428353 /nfs/dbraw/zinc/42/83/53/1067428353.db2.gz SNIVKZXVQUBNCG-SFHVURJKSA-N 1 0 454.619 3.088 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304382619 1067431117 /nfs/dbraw/zinc/43/11/17/1067431117.db2.gz FHNXLMWRZHTDEI-JOCHJYFZSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccn(C)n2)cc1C ZINC001304383787 1067433396 /nfs/dbraw/zinc/43/33/96/1067433396.db2.gz MAXVXSYCRBNCBY-UHFFFAOYSA-N 1 0 464.618 3.240 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001304383830 1067433427 /nfs/dbraw/zinc/43/34/27/1067433427.db2.gz NCCPQMAFKBXFBT-FGZHOGPDSA-N 1 0 484.645 3.263 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304383831 1067433443 /nfs/dbraw/zinc/43/34/43/1067433443.db2.gz NCCPQMAFKBXFBT-VXKWHMMOSA-N 1 0 484.645 3.263 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2cnn(-c3ccccc3)n2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302849935 1067434462 /nfs/dbraw/zinc/43/44/62/1067434462.db2.gz GEBVVPBDOIDZPX-OYRHEFFESA-N 1 0 466.634 3.193 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001302851108 1067435466 /nfs/dbraw/zinc/43/54/66/1067435466.db2.gz ZHSOAXSFUQGECC-VQIMIIECSA-N 1 0 485.576 3.469 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCN1C(=O)OC(C)(C)C ZINC001302851654 1067436037 /nfs/dbraw/zinc/43/60/37/1067436037.db2.gz QGMLSJFVXOBXFR-IFMALSPDSA-N 1 0 499.660 3.023 20 0 JGADRO CC(C)Cc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001302856761 1067440007 /nfs/dbraw/zinc/44/00/07/1067440007.db2.gz AAQJKRDIHQJTMT-FQEVSTJZSA-N 1 0 466.630 3.329 20 0 JGADRO CC(C)Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302856879 1067440054 /nfs/dbraw/zinc/44/00/54/1067440054.db2.gz DEFSQBZQNHDAOK-QFIPXVFZSA-N 1 0 460.642 3.466 20 0 JGADRO CC(C)Cc1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001302857243 1067440083 /nfs/dbraw/zinc/44/00/83/1067440083.db2.gz QYPSOJZWKXYPHM-SZPZYZBQSA-N 1 0 454.663 3.080 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(Nc3ccn(C)n3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001304386556 1067441505 /nfs/dbraw/zinc/44/15/05/1067441505.db2.gz HWUUCJSUEFISHK-OALUTQOASA-N 1 0 466.590 3.124 20 0 JGADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C[NH+](C)C)c2)C[C@H]1C(F)(F)F ZINC001302859295 1067442023 /nfs/dbraw/zinc/44/20/23/1067442023.db2.gz CVCYUKWKPVYDAC-VQIMIIECSA-N 1 0 464.536 3.145 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](c4noc(C(C)C)n4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304387271 1067442571 /nfs/dbraw/zinc/44/25/71/1067442571.db2.gz VSIBUUKCDYGMTL-ICSRJNTNSA-N 1 0 496.616 3.182 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001304387418 1067443224 /nfs/dbraw/zinc/44/32/24/1067443224.db2.gz AJDRGIHEBQDZGR-VXKWHMMOSA-N 1 0 481.645 3.123 20 0 JGADRO CC(C)Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302860916 1067443589 /nfs/dbraw/zinc/44/35/89/1067443589.db2.gz IZTOWALEQCELTN-QFIPXVFZSA-N 1 0 458.651 3.281 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001304387694 1067444163 /nfs/dbraw/zinc/44/41/63/1067444163.db2.gz FSSGIIYGRASIQO-WOJBJXKFSA-N 1 0 465.602 3.156 20 0 JGADRO CC(C)Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302861896 1067444191 /nfs/dbraw/zinc/44/41/91/1067444191.db2.gz ZYNRSTVHABNFEG-QFIPXVFZSA-N 1 0 459.635 3.491 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001304388251 1067445495 /nfs/dbraw/zinc/44/54/95/1067445495.db2.gz ASVATIRDQRORGT-FYYLOGMGSA-N 1 0 484.645 3.404 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001304388407 1067445987 /nfs/dbraw/zinc/44/59/87/1067445987.db2.gz CUESSPJRIZIJMT-SFTDATJTSA-N 1 0 454.619 3.287 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001304388608 1067446601 /nfs/dbraw/zinc/44/66/01/1067446601.db2.gz QMCQLBJXEVPQMC-JOCHJYFZSA-N 1 0 481.645 3.267 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cc(Br)c[nH]2)n1CCCCCCO ZINC001302866038 1067447289 /nfs/dbraw/zinc/44/72/89/1067447289.db2.gz GIFOOPZPKZPLGT-QGZVFWFLSA-N 1 0 495.466 3.278 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)Nc4ccc(C)cn4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304389257 1067448428 /nfs/dbraw/zinc/44/84/28/1067448428.db2.gz JLLSUCYAJZZOOC-UHFFFAOYSA-N 1 0 493.660 3.038 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)F ZINC001302867345 1067448481 /nfs/dbraw/zinc/44/84/81/1067448481.db2.gz SXQNNSQWNHFAIQ-KBAYOESNSA-N 1 0 459.557 3.449 20 0 JGADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001302871102 1067451836 /nfs/dbraw/zinc/45/18/36/1067451836.db2.gz ICCSHNPBPSGIFB-QGZVFWFLSA-N 1 0 460.648 3.376 20 0 JGADRO CC(C)Cc1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001302871060 1067451863 /nfs/dbraw/zinc/45/18/63/1067451863.db2.gz RXQYENCOYGCBLD-NRFANRHFSA-N 1 0 471.646 3.240 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001302871121 1067451868 /nfs/dbraw/zinc/45/18/68/1067451868.db2.gz IQRXMAIFKPMOGQ-IRLDBZIGSA-N 1 0 483.661 3.489 20 0 JGADRO Cc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001304394286 1067455060 /nfs/dbraw/zinc/45/50/60/1067455060.db2.gz ZBRUGJDPXCGNGF-FQEVSTJZSA-N 1 0 454.619 3.257 20 0 JGADRO Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001304394827 1067456039 /nfs/dbraw/zinc/45/60/39/1067456039.db2.gz LYXFCYSHUABMQW-GOSISDBHSA-N 1 0 476.572 3.498 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001302872731 1067456086 /nfs/dbraw/zinc/45/60/86/1067456086.db2.gz PVBVKTRZTFNGGY-UPVQGACJSA-N 1 0 482.673 3.323 20 0 JGADRO Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC001304395685 1067457433 /nfs/dbraw/zinc/45/74/33/1067457433.db2.gz BONMGGSMWAUWHN-QFIPXVFZSA-N 1 0 498.672 3.273 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1Cc1ccc(Cl)nc1 ZINC001302874803 1067457883 /nfs/dbraw/zinc/45/78/83/1067457883.db2.gz BOYKXMRVFSFIQW-UHFFFAOYSA-N 1 0 488.080 3.392 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001302875195 1067458641 /nfs/dbraw/zinc/45/86/41/1067458641.db2.gz HMCPKKUGSITMEG-UHFFFAOYSA-N 1 0 462.668 3.302 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001302876327 1067459230 /nfs/dbraw/zinc/45/92/30/1067459230.db2.gz ZEEJYOLIHUYNAD-TZIWHRDSSA-N 1 0 492.665 3.124 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)C[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001302889313 1067468611 /nfs/dbraw/zinc/46/86/11/1067468611.db2.gz QPJKDGNWVFYTDI-IBGZPJMESA-N 1 0 486.665 3.246 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001304405773 1067469178 /nfs/dbraw/zinc/46/91/78/1067469178.db2.gz MUZLLIWNUHNFOK-FCHUYYIVSA-N 1 0 468.646 3.405 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001302889916 1067469482 /nfs/dbraw/zinc/46/94/82/1067469482.db2.gz ZRWSZWFTKSDHHJ-ICSRJNTNSA-N 1 0 484.649 3.301 20 0 JGADRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001302891219 1067470547 /nfs/dbraw/zinc/47/05/47/1067470547.db2.gz WPZZVGPEPDWGLI-ZJSXRUAMSA-N 1 0 459.512 3.213 20 0 JGADRO C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCN1S(C)(=O)=O ZINC001302892144 1067472044 /nfs/dbraw/zinc/47/20/44/1067472044.db2.gz FELCZUHFGYFZGQ-RBBKRZOGSA-N 1 0 488.702 3.001 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304408152 1067472958 /nfs/dbraw/zinc/47/29/58/1067472958.db2.gz FAPGDCCZOWSANN-UHFFFAOYSA-N 1 0 456.635 3.200 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1ncccc1N(C)C ZINC001302892821 1067473504 /nfs/dbraw/zinc/47/35/04/1067473504.db2.gz NVSGEXCQSUFASV-OYRHEFFESA-N 1 0 469.678 3.312 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001302893281 1067473865 /nfs/dbraw/zinc/47/38/65/1067473865.db2.gz WMDFVYNQUOJPLC-HXUWFJFHSA-N 1 0 478.682 3.281 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001304409241 1067474389 /nfs/dbraw/zinc/47/43/89/1067474389.db2.gz ZFAVAJOPUFOKKT-DENIHFKCSA-N 1 0 468.646 3.298 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302894135 1067474803 /nfs/dbraw/zinc/47/48/03/1067474803.db2.gz HINWRIMRMBBQAD-QHCPKHFHSA-N 1 0 469.674 3.267 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)C1(F)F ZINC001302894710 1067475456 /nfs/dbraw/zinc/47/54/56/1067475456.db2.gz PQTKWBWTYXUKAY-KDURUIRLSA-N 1 0 461.605 3.017 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001304409778 1067475696 /nfs/dbraw/zinc/47/56/96/1067475696.db2.gz TWDNKOQVIYFTOO-HXUWFJFHSA-N 1 0 454.619 3.050 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001304409777 1067475727 /nfs/dbraw/zinc/47/57/27/1067475727.db2.gz TWDNKOQVIYFTOO-FQEVSTJZSA-N 1 0 454.619 3.050 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001304409824 1067475759 /nfs/dbraw/zinc/47/57/59/1067475759.db2.gz VJBJHECDQWIZAL-QFIPXVFZSA-N 1 0 467.536 3.401 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC001302895451 1067475921 /nfs/dbraw/zinc/47/59/21/1067475921.db2.gz XCRZZWRRGFBBTE-IBGZPJMESA-N 1 0 469.634 3.194 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](Oc4ccccn4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304410202 1067476221 /nfs/dbraw/zinc/47/62/21/1067476221.db2.gz AEGOJYCAKMMVBH-RBBKRZOGSA-N 1 0 450.587 3.477 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCn2cncn2)cc1 ZINC001304410751 1067477171 /nfs/dbraw/zinc/47/71/71/1067477171.db2.gz VLAPDIUQLNMQCE-UHFFFAOYSA-N 1 0 452.607 3.014 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001302896495 1067477485 /nfs/dbraw/zinc/47/74/85/1067477485.db2.gz IHPJAPHYIRZFCG-HXUWFJFHSA-N 1 0 475.659 3.024 20 0 JGADRO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302896577 1067477836 /nfs/dbraw/zinc/47/78/36/1067477836.db2.gz KOQDVEZEMHSHBC-FQEVSTJZSA-N 1 0 450.031 3.015 20 0 JGADRO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302897343 1067478218 /nfs/dbraw/zinc/47/82/18/1067478218.db2.gz WTOXFUCXGGVICQ-NRFANRHFSA-N 1 0 459.683 3.229 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001304411388 1067479227 /nfs/dbraw/zinc/47/92/27/1067479227.db2.gz SWFMCVCJULDQRS-GMAHTHKFSA-N 1 0 489.686 3.362 20 0 JGADRO CC(C)Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001302898696 1067480549 /nfs/dbraw/zinc/48/05/49/1067480549.db2.gz BFUQCSGJKRGBOK-UHFFFAOYSA-N 1 0 466.674 3.317 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001304413169 1067482316 /nfs/dbraw/zinc/48/23/16/1067482316.db2.gz PROVHPVQGDQKFM-QFQXNSOFSA-N 1 0 468.646 3.167 20 0 JGADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302899826 1067482519 /nfs/dbraw/zinc/48/25/19/1067482519.db2.gz NWGDZGAQBNMWNA-VWLOTQADSA-N 1 0 470.687 3.313 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[NH+]2CCCCCC2)cc1C ZINC001304413760 1067483313 /nfs/dbraw/zinc/48/33/13/1067483313.db2.gz UEAKXAQPDIFCKO-JOCHJYFZSA-N 1 0 468.646 3.442 20 0 JGADRO CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302900696 1067483579 /nfs/dbraw/zinc/48/35/79/1067483579.db2.gz CNLNGHJLJCZKJL-NRFANRHFSA-N 1 0 462.683 3.203 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(-c4cnccn4)n3CCCC(F)(F)F)CC2)C[C@H](C)O1 ZINC001302901202 1067484971 /nfs/dbraw/zinc/48/49/71/1067484971.db2.gz GEIIJMQEBLATHL-CALCHBBNSA-N 1 0 467.540 3.403 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@H]4CCCO4)n3CCCOCC(F)F)CC2)C[C@H](C)O1 ZINC001302901232 1067484991 /nfs/dbraw/zinc/48/49/91/1067484991.db2.gz HABVZLIOFCKCAG-WSTZPKSXSA-N 1 0 471.593 3.127 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc([C@@H]4CCCCO4)n3CCOCC(F)F)CC2)C[C@H](C)O1 ZINC001302902240 1067487098 /nfs/dbraw/zinc/48/70/98/1067487098.db2.gz ZOWWFVXTYPNMHW-NSHGMRRFSA-N 1 0 471.593 3.127 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)O ZINC001302902583 1067487550 /nfs/dbraw/zinc/48/75/50/1067487550.db2.gz LGRROTPWGKEECM-INIZCTEOSA-N 1 0 478.435 3.168 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904915 1067489218 /nfs/dbraw/zinc/48/92/18/1067489218.db2.gz DAUFHZCJSHAQSP-VWPQPMDRSA-N 1 0 455.651 3.006 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905726 1067490809 /nfs/dbraw/zinc/49/08/09/1067490809.db2.gz VQWSOTABCXBGLM-JSRBNTPPSA-N 1 0 470.662 3.020 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C4CCCCC4)C(=O)C3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304418151 1067491693 /nfs/dbraw/zinc/49/16/93/1067491693.db2.gz MBVCFMXICGBGKE-UHFFFAOYSA-N 1 0 468.646 3.487 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001304418680 1067493223 /nfs/dbraw/zinc/49/32/23/1067493223.db2.gz JRYPDOGBIBZCNX-OAQYLSRUSA-N 1 0 492.615 3.054 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2([S@@](C)=O)CCC2)cc1 ZINC001304418686 1067493230 /nfs/dbraw/zinc/49/32/30/1067493230.db2.gz JUNFYMOPBPISOC-JGCGQSQUSA-N 1 0 459.660 3.245 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCC[NH+]2CCC(C)CC2)cc1C ZINC001304419303 1067493707 /nfs/dbraw/zinc/49/37/07/1067493707.db2.gz CXYMDWPFNHNRQM-UHFFFAOYSA-N 1 0 459.660 3.165 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CC(=O)N(C)C)cc1C ZINC001304420331 1067495852 /nfs/dbraw/zinc/49/58/52/1067495852.db2.gz TVMKYIGJSREAQL-UHFFFAOYSA-N 1 0 468.646 3.264 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)C4(CCCCC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304420697 1067496180 /nfs/dbraw/zinc/49/61/80/1067496180.db2.gz OSZBPZXSWDLBIB-OAQYLSRUSA-N 1 0 489.686 3.362 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304420682 1067496197 /nfs/dbraw/zinc/49/61/97/1067496197.db2.gz OXLJWKWIZCVYDI-NJYVYQBISA-N 1 0 457.619 3.278 20 0 JGADRO O=C(N[C@H](C(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccccc1)OCc1ccccc1 ZINC001302912539 1067497664 /nfs/dbraw/zinc/49/76/64/1067497664.db2.gz ASLWOPGJUKNIJP-DEOSSOPVSA-N 1 0 451.567 3.414 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001304422954 1067499486 /nfs/dbraw/zinc/49/94/86/1067499486.db2.gz SQZVSWMRPDYAGJ-LEWJYISDSA-N 1 0 459.660 3.344 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCCO2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001302915774 1067499985 /nfs/dbraw/zinc/49/99/85/1067499985.db2.gz ZKWOKMHCFIASLH-SIKLNZKXSA-N 1 0 457.619 3.316 20 0 JGADRO FC(F)(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001302922144 1067502014 /nfs/dbraw/zinc/50/20/14/1067502014.db2.gz GFCHOXHRKYJLMN-QGZVFWFLSA-N 1 0 470.362 3.482 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001302923601 1067503827 /nfs/dbraw/zinc/50/38/27/1067503827.db2.gz SREBWUHWSOMIIU-PZJWPPBQSA-N 1 0 493.660 3.138 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304428489 1067505867 /nfs/dbraw/zinc/50/58/67/1067505867.db2.gz ISFHKEJPBUIHMT-UPVQGACJSA-N 1 0 471.646 3.353 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304428487 1067505913 /nfs/dbraw/zinc/50/59/13/1067505913.db2.gz ISFHKEJPBUIHMT-ISKFKSNPSA-N 1 0 471.646 3.353 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302928269 1067505914 /nfs/dbraw/zinc/50/59/14/1067505914.db2.gz DNUHEENUUZOXNW-NHCUHLMSSA-N 1 0 462.683 3.203 20 0 JGADRO CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302932006 1067507481 /nfs/dbraw/zinc/50/74/81/1067507481.db2.gz ROZHJANNWDCHRN-JTAQYXEDSA-N 1 0 453.697 3.391 20 0 JGADRO FC(F)(F)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302935135 1067509340 /nfs/dbraw/zinc/50/93/40/1067509340.db2.gz YNNXVSVHDZTVOE-AWEZNQCLSA-N 1 0 474.325 3.428 20 0 JGADRO FC(F)(F)CN1CCCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2CCCC2)CC1 ZINC001302936513 1067509730 /nfs/dbraw/zinc/50/97/30/1067509730.db2.gz IZSJNOVMPNZEHL-UHFFFAOYSA-N 1 0 456.582 3.491 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001304432795 1067511582 /nfs/dbraw/zinc/51/15/82/1067511582.db2.gz GWSWQGIAFHZCKB-PKOBYXMFSA-N 1 0 454.600 3.086 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(O)CCO[C@H]2C)cc1 ZINC001304433242 1067512214 /nfs/dbraw/zinc/51/22/14/1067512214.db2.gz AKWMEXNXROZKBM-CYFREDJKSA-N 1 0 459.660 3.386 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302940329 1067514513 /nfs/dbraw/zinc/51/45/13/1067514513.db2.gz ZPVQFJNXOPTAET-DEOSSOPVSA-N 1 0 474.650 3.015 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001302940247 1067514522 /nfs/dbraw/zinc/51/45/22/1067514522.db2.gz XLBMSFBIQHPFSZ-FQEVSTJZSA-N 1 0 474.675 3.001 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001304436583 1067514983 /nfs/dbraw/zinc/51/49/83/1067514983.db2.gz FPLOECVRFNIIHA-WOJBJXKFSA-N 1 0 456.660 3.278 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001304436727 1067515215 /nfs/dbraw/zinc/51/52/15/1067515215.db2.gz AFALMZIQFCOFQS-PMACEKPBSA-N 1 0 456.660 3.312 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001304436729 1067515294 /nfs/dbraw/zinc/51/52/94/1067515294.db2.gz AFALMZIQFCOFQS-VQTJNVASSA-N 1 0 456.660 3.312 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccncc2)CC1 ZINC001302941439 1067515410 /nfs/dbraw/zinc/51/54/10/1067515410.db2.gz MKWHYJYCQJJJFU-UHFFFAOYSA-N 1 0 452.525 3.274 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCOC2)CC1 ZINC001302941635 1067515484 /nfs/dbraw/zinc/51/54/84/1067515484.db2.gz PKWCHZLKSDSIPJ-GOSISDBHSA-N 1 0 473.565 3.058 20 0 JGADRO FC(F)C(F)(F)CN1CCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001302944944 1067517659 /nfs/dbraw/zinc/51/76/59/1067517659.db2.gz MSMGUGIGSVYYTQ-UHFFFAOYSA-N 1 0 483.558 3.162 20 0 JGADRO Cc1cccc(C(=O)NCCn2c(CC(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC001304442247 1067523269 /nfs/dbraw/zinc/52/32/69/1067523269.db2.gz JAXFHAVILHVLEN-UHFFFAOYSA-N 1 0 495.716 3.210 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCSCC3)CC2)c1 ZINC001304443096 1067525078 /nfs/dbraw/zinc/52/50/78/1067525078.db2.gz LAEBMSNMMDDXRC-UHFFFAOYSA-N 1 0 470.687 3.285 20 0 JGADRO FC(F)COCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001302953013 1067525271 /nfs/dbraw/zinc/52/52/71/1067525271.db2.gz PBKKXTMFNMGIEA-SFHVURJKSA-N 1 0 455.937 3.181 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302954593 1067526407 /nfs/dbraw/zinc/52/64/07/1067526407.db2.gz GNSNHQWUVOKTCB-SFTDATJTSA-N 1 0 458.626 3.299 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccn3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302956407 1067528532 /nfs/dbraw/zinc/52/85/32/1067528532.db2.gz SKYSZBMFEODADZ-OYRHEFFESA-N 1 0 455.651 3.086 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001302957259 1067529021 /nfs/dbraw/zinc/52/90/21/1067529021.db2.gz MNRUAFZACBCOMR-UHFFFAOYSA-N 1 0 464.655 3.083 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001302957627 1067529424 /nfs/dbraw/zinc/52/94/24/1067529424.db2.gz RLULZDGRVSQMAI-UHFFFAOYSA-N 1 0 466.556 3.462 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302958951 1067530851 /nfs/dbraw/zinc/53/08/51/1067530851.db2.gz LHPRISDOWQHURP-PKTZIBPZSA-N 1 0 487.737 3.168 20 0 JGADRO CC(C)Cc1nnc(N2CCN(Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302961974 1067533391 /nfs/dbraw/zinc/53/33/91/1067533391.db2.gz RBEPPSLQWQBECA-HSZRJFAPSA-N 1 0 475.081 3.299 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2CCC[NH+]2CCCCC2)n1 ZINC001304453374 1067534748 /nfs/dbraw/zinc/53/47/48/1067534748.db2.gz OCKOAIOJRAQPTO-UHFFFAOYSA-N 1 0 469.678 3.319 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304453480 1067534805 /nfs/dbraw/zinc/53/48/05/1067534805.db2.gz YVAJKXXZFREDRF-UNMCSNQZSA-N 1 0 482.654 3.182 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCc3ccccc3C2)n1 ZINC001304453749 1067535166 /nfs/dbraw/zinc/53/51/66/1067535166.db2.gz WNZHJGJQQRENNY-UHFFFAOYSA-N 1 0 461.614 3.058 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC001304453812 1067535261 /nfs/dbraw/zinc/53/52/61/1067535261.db2.gz YSOPNKKFDHTBIZ-JOCHJYFZSA-N 1 0 461.614 3.274 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302965092 1067535414 /nfs/dbraw/zinc/53/54/14/1067535414.db2.gz PKZCVEITYTVIJY-KRWDZBQOSA-N 1 0 452.525 3.097 20 0 JGADRO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001302966283 1067536366 /nfs/dbraw/zinc/53/63/66/1067536366.db2.gz PSWNMEGRDORGAN-CNNODRBYSA-N 1 0 494.731 3.091 20 0 JGADRO Fc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC001302966620 1067536686 /nfs/dbraw/zinc/53/66/86/1067536686.db2.gz CUMKPVWJXCSNAR-LJQANCHMSA-N 1 0 471.499 3.408 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@]1(O)CCc2ccccc21 ZINC001302966675 1067536826 /nfs/dbraw/zinc/53/68/26/1067536826.db2.gz VHUPPROPGQRIFD-XMMPIXPASA-N 1 0 495.590 3.402 20 0 JGADRO Fc1ccc(C[N@H+]2CCCN(c3nnc(Cc4cccnc4)n3CCOCC(F)F)CC2)cc1 ZINC001302967456 1067537188 /nfs/dbraw/zinc/53/71/88/1067537188.db2.gz UKUJPIQFJNFKCX-UHFFFAOYSA-N 1 0 474.531 3.397 20 0 JGADRO Fc1cccc(F)c1Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCCOCC(F)F ZINC001302969595 1067538209 /nfs/dbraw/zinc/53/82/09/1067538209.db2.gz OBIYQTSNOXFHDJ-UHFFFAOYSA-N 1 0 485.526 3.120 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC001304459053 1067538553 /nfs/dbraw/zinc/53/85/53/1067538553.db2.gz CFIGKCCJGDVADZ-NRFANRHFSA-N 1 0 474.675 3.317 20 0 JGADRO Fc1cccc(F)c1Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC[NH+]1CCCC1 ZINC001302969667 1067538642 /nfs/dbraw/zinc/53/86/42/1067538642.db2.gz QIKPCOVZOHLHTG-UHFFFAOYSA-N 1 0 490.496 3.265 20 0 JGADRO Fc1cccc(F)c1Cc1nnc(N2CCC(F)(F)CC2)n1CCCC[NH+]1CCOCC1 ZINC001302970571 1067538982 /nfs/dbraw/zinc/53/89/82/1067538982.db2.gz WINTWJLJTLCRNP-UHFFFAOYSA-N 1 0 455.500 3.495 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001302971501 1067539632 /nfs/dbraw/zinc/53/96/32/1067539632.db2.gz FBLSRXRXCFHUTE-CVDCTZTESA-N 1 0 457.648 3.327 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302974568 1067541169 /nfs/dbraw/zinc/54/11/69/1067541169.db2.gz FYCXJOCMBQDVIJ-UFYCRDLUSA-N 1 0 475.638 3.060 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302975553 1067542073 /nfs/dbraw/zinc/54/20/73/1067542073.db2.gz LMLPSVJIQLHUGG-XMMPIXPASA-N 1 0 472.653 3.467 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302977110 1067543097 /nfs/dbraw/zinc/54/30/97/1067543097.db2.gz RJZRMRRZZBKQBB-LOSJGSFVSA-N 1 0 485.673 3.398 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCCOCC(C)C)n1 ZINC001304467405 1067545667 /nfs/dbraw/zinc/54/56/67/1067545667.db2.gz MAWIQDWPVDMSHW-UHFFFAOYSA-N 1 0 456.635 3.260 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CCCS(C)(=O)=O)n1 ZINC001304467365 1067545794 /nfs/dbraw/zinc/54/57/94/1067545794.db2.gz KLRICOMMPJJTLT-UHFFFAOYSA-N 1 0 474.675 3.176 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(Cn4ccnn4)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304467133 1067545813 /nfs/dbraw/zinc/54/58/13/1067545813.db2.gz GETFBWRAFJMMMR-UHFFFAOYSA-N 1 0 451.623 3.275 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001304468502 1067547110 /nfs/dbraw/zinc/54/71/10/1067547110.db2.gz GFSRCTATUVGBFU-IBGZPJMESA-N 1 0 453.616 3.105 20 0 JGADRO CC(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302984304 1067547750 /nfs/dbraw/zinc/54/77/50/1067547750.db2.gz CQNCTTSWIUAWTJ-RBBKRZOGSA-N 1 0 459.660 3.012 20 0 JGADRO CC(C)Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001302986014 1067548651 /nfs/dbraw/zinc/54/86/51/1067548651.db2.gz JHFIARAWYNIAEZ-LEWJYISDSA-N 1 0 490.693 3.327 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCNC(=O)c2ccc(C)c(F)c2)n1 ZINC001304469503 1067548664 /nfs/dbraw/zinc/54/86/64/1067548664.db2.gz ROZJBCZQVSCHBO-UHFFFAOYSA-N 1 0 479.604 3.493 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302987792 1067549389 /nfs/dbraw/zinc/54/93/89/1067549389.db2.gz YICVXZKYMRWHDX-HTAPYJJXSA-N 1 0 452.669 3.017 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2CCC(=O)N(C)C)n1 ZINC001304473141 1067551599 /nfs/dbraw/zinc/55/15/99/1067551599.db2.gz PYYYCJCESWEYEZ-OAQYLSRUSA-N 1 0 453.635 3.219 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304474374 1067552248 /nfs/dbraw/zinc/55/22/48/1067552248.db2.gz VOXUKKVYXITMNC-OALUTQOASA-N 1 0 457.623 3.434 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[NH+]2CCCCC2)n1 ZINC001304474715 1067552497 /nfs/dbraw/zinc/55/24/97/1067552497.db2.gz XVDXHHYIXHAGNA-FQEVSTJZSA-N 1 0 453.635 3.266 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCCCC[NH+]2CCCCC2)n1 ZINC001304474795 1067552633 /nfs/dbraw/zinc/55/26/33/1067552633.db2.gz KWAQKGKNMVLDHM-UHFFFAOYSA-N 1 0 474.675 3.318 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001304477814 1067556091 /nfs/dbraw/zinc/55/60/91/1067556091.db2.gz DEZMWFVFIBYBSZ-LPHOPBHVSA-N 1 0 451.541 3.062 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(C[S@](C)=O)cc2)n1 ZINC001304477984 1067556469 /nfs/dbraw/zinc/55/64/69/1067556469.db2.gz VMENWHYJOXOOHP-YTTGMZPUSA-N 1 0 452.628 3.106 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001302996580 1067556453 /nfs/dbraw/zinc/55/64/53/1067556453.db2.gz YIEMIYGNBRGMQM-RXFWQSSRSA-N 1 0 490.693 3.332 20 0 JGADRO CC(C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001302998802 1067557097 /nfs/dbraw/zinc/55/70/97/1067557097.db2.gz SCDIQUWWPXKZEL-IFMALSPDSA-N 1 0 489.686 3.068 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CC(F)(F)Br)n1 ZINC001304479363 1067558703 /nfs/dbraw/zinc/55/87/03/1067558703.db2.gz SMCSIMAYDVSPAD-UHFFFAOYSA-N 1 0 495.376 3.082 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2CCOCCC(C)C)n1 ZINC001304479658 1067559037 /nfs/dbraw/zinc/55/90/37/1067559037.db2.gz ZUZHBSWNAZHFMA-UHFFFAOYSA-N 1 0 466.634 3.157 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](CCc4ccccc4)CC3)n2CCC(=O)NC(C)(C)C)n1 ZINC001304480612 1067560016 /nfs/dbraw/zinc/56/00/16/1067560016.db2.gz PAKFCKSZUMWQCT-UHFFFAOYSA-N 1 0 475.641 3.318 20 0 JGADRO Cc1cccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001304484212 1067563710 /nfs/dbraw/zinc/56/37/10/1067563710.db2.gz UJVDZLCFZSVWHE-OPYAIIAOSA-N 1 0 460.648 3.021 20 0 JGADRO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001304491466 1067569481 /nfs/dbraw/zinc/56/94/81/1067569481.db2.gz SHXWQTRMLVTCIW-UHFFFAOYSA-N 1 0 461.614 3.075 20 0 JGADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304496004 1067572180 /nfs/dbraw/zinc/57/21/80/1067572180.db2.gz CBADXKBBEUUBBN-HXUWFJFHSA-N 1 0 481.689 3.475 20 0 JGADRO Cc1cccc(N2CCN(c3nnc(-c4cnn(C)c4)n3CC(C)(C)C[NH+](C)C)CC2)c1C ZINC001304496424 1067572508 /nfs/dbraw/zinc/57/25/08/1067572508.db2.gz GYZMSFIYTDPWOK-UHFFFAOYSA-N 1 0 450.635 3.210 20 0 JGADRO Cc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CC2)c1 ZINC001304497044 1067572886 /nfs/dbraw/zinc/57/28/86/1067572886.db2.gz AWPIFUWPFLRYJF-NRFANRHFSA-N 1 0 481.670 3.416 20 0 JGADRO CC(C)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001303021488 1067573156 /nfs/dbraw/zinc/57/31/56/1067573156.db2.gz OLJZGYRFYABOCW-NRFANRHFSA-N 1 0 474.675 3.306 20 0 JGADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001304498878 1067574084 /nfs/dbraw/zinc/57/40/84/1067574084.db2.gz ZUMSYIXXEWIXLY-FPOVZHCZSA-N 1 0 467.662 3.084 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303023911 1067576494 /nfs/dbraw/zinc/57/64/94/1067576494.db2.gz ZCMXPQVZLLQUSX-SANMLTNESA-N 1 0 474.694 3.290 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001304503178 1067577271 /nfs/dbraw/zinc/57/72/71/1067577271.db2.gz WRLCVHBBIYHIRZ-IBGZPJMESA-N 1 0 457.619 3.484 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2CC[NH+](C3CC3)CC2)c1 ZINC001304503056 1067577323 /nfs/dbraw/zinc/57/73/23/1067577323.db2.gz LVSJWPVCTOEYGI-UHFFFAOYSA-N 1 0 468.646 3.391 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001304507523 1067581450 /nfs/dbraw/zinc/58/14/50/1067581450.db2.gz RPCSCFAJPWDNFT-YADHBBJMSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001304507847 1067581564 /nfs/dbraw/zinc/58/15/64/1067581564.db2.gz LALBMZCEMKTIPW-OAQYLSRUSA-N 1 0 456.635 3.341 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CCS(C)(=O)=O)c1 ZINC001304509075 1067583239 /nfs/dbraw/zinc/58/32/39/1067583239.db2.gz CFGVXXZTZPQGGA-QFIPXVFZSA-N 1 0 489.686 3.158 20 0 JGADRO NC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303039003 1067584306 /nfs/dbraw/zinc/58/43/06/1067584306.db2.gz QMWQMMDCNGSTFI-UHFFFAOYSA-N 1 0 495.455 3.456 20 0 JGADRO NC(=O)CC1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCCC2)CC1 ZINC001303039320 1067584493 /nfs/dbraw/zinc/58/44/93/1067584493.db2.gz UDSQDHVWUYRUGJ-UHFFFAOYSA-N 1 0 481.464 3.347 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001304510416 1067585021 /nfs/dbraw/zinc/58/50/21/1067585021.db2.gz NYHBHZDZGNRFTL-RTWAWAEBSA-N 1 0 454.619 3.132 20 0 JGADRO CC(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001303040086 1067585240 /nfs/dbraw/zinc/58/52/40/1067585240.db2.gz GCGIZMHNBNOTNQ-QFIPXVFZSA-N 1 0 472.609 3.175 20 0 JGADRO CC(C)CCCn1c(CN2CCCC2=O)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303040519 1067585608 /nfs/dbraw/zinc/58/56/08/1067585608.db2.gz HUNHHRLHBKMAFK-OYRHEFFESA-N 1 0 460.667 3.162 20 0 JGADRO Cc1noc([C@H](C)N2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001304511705 1067587986 /nfs/dbraw/zinc/58/79/86/1067587986.db2.gz SMJDIRNUTUGULG-FQEVSTJZSA-N 1 0 496.660 3.328 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(c4nccnc4C)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304511878 1067588273 /nfs/dbraw/zinc/58/82/73/1067588273.db2.gz JDFIPPNSNBXDOL-UHFFFAOYSA-N 1 0 478.645 3.321 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304512164 1067588458 /nfs/dbraw/zinc/58/84/58/1067588458.db2.gz MBZRELANKKPEAV-KRWDZBQOSA-N 1 0 472.531 3.138 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC(=O)NCC(F)F)c1 ZINC001304512466 1067589331 /nfs/dbraw/zinc/58/93/31/1067589331.db2.gz PNCKJASROAFMTN-UHFFFAOYSA-N 1 0 476.572 3.002 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303048583 1067590076 /nfs/dbraw/zinc/59/00/76/1067590076.db2.gz ZMSSGJLGRBYHTN-UHFFFAOYSA-N 1 0 480.661 3.350 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001304513095 1067590295 /nfs/dbraw/zinc/59/02/95/1067590295.db2.gz OUKWJRVTBZCOTM-NRFANRHFSA-N 1 0 454.619 3.004 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001304513119 1067590347 /nfs/dbraw/zinc/59/03/47/1067590347.db2.gz PEMKOXRTLHKXOE-ZJOUEHCJSA-N 1 0 497.562 3.432 20 0 JGADRO O=C(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)NCC(F)F ZINC001303068747 1067603679 /nfs/dbraw/zinc/60/36/79/1067603679.db2.gz CENXVHJAMSUTNP-HNNXBMFYSA-N 1 0 484.954 3.431 20 0 JGADRO O=C(Cn1c(C2CCCC2)nnc1N1CC[NH+](CCc2cccs2)CC1)NCC(F)(F)F ZINC001303069383 1067603951 /nfs/dbraw/zinc/60/39/51/1067603951.db2.gz HWBGSQRAOCNVQQ-UHFFFAOYSA-N 1 0 470.565 3.040 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304535237 1067605822 /nfs/dbraw/zinc/60/58/22/1067605822.db2.gz NCNBLOSRTBGCFC-CJFMBICVSA-N 1 0 488.702 3.236 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001304536751 1067607769 /nfs/dbraw/zinc/60/77/69/1067607769.db2.gz HCFPZHQCNKLEOD-UHFFFAOYSA-N 1 0 470.618 3.079 20 0 JGADRO CC(C)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001303074626 1067608691 /nfs/dbraw/zinc/60/86/91/1067608691.db2.gz YQSJBSNKGCCMLW-UHFFFAOYSA-N 1 0 455.651 3.148 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001304537163 1067608700 /nfs/dbraw/zinc/60/87/00/1067608700.db2.gz NJPNIKOPQYMYKA-QFIPXVFZSA-N 1 0 495.697 3.265 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCOCC[NH+](C)C ZINC001304537168 1067608824 /nfs/dbraw/zinc/60/88/24/1067608824.db2.gz NRXYTADHVYAGCN-UHFFFAOYSA-N 1 0 470.021 3.207 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001304538960 1067610377 /nfs/dbraw/zinc/61/03/77/1067610377.db2.gz IZRAVVWDBZDDOU-FQEVSTJZSA-N 1 0 472.634 3.324 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304540174 1067610842 /nfs/dbraw/zinc/61/08/42/1067610842.db2.gz SHDHELCGQZCUPQ-IBGZPJMESA-N 1 0 466.552 3.047 20 0 JGADRO Cc1ccccc1[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001304542541 1067613322 /nfs/dbraw/zinc/61/33/22/1067613322.db2.gz PSDHNCNOYFAHOO-OFNKIYASSA-N 1 0 468.646 3.425 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304543389 1067614146 /nfs/dbraw/zinc/61/41/46/1067614146.db2.gz OYQOWRFUYWNEMR-UHFFFAOYSA-N 1 0 475.641 3.128 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001304544387 1067614396 /nfs/dbraw/zinc/61/43/96/1067614396.db2.gz VKJGWMQGRMAHIY-QFIPXVFZSA-N 1 0 466.674 3.408 20 0 JGADRO Cc1ccccc1[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001304544763 1067615187 /nfs/dbraw/zinc/61/51/87/1067615187.db2.gz XZOSEBPDAGYOIP-UYAOXDASSA-N 1 0 468.627 3.106 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCCC1 ZINC001304546201 1067615703 /nfs/dbraw/zinc/61/57/03/1067615703.db2.gz DRJSGUPBRVHYEG-QHCPKHFHSA-N 1 0 473.687 3.457 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304546984 1067615886 /nfs/dbraw/zinc/61/58/86/1067615886.db2.gz IHCWSGMZNJPRPV-QHCPKHFHSA-N 1 0 455.647 3.418 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304546780 1067615909 /nfs/dbraw/zinc/61/59/09/1067615909.db2.gz CSFZLWZMYSAIHB-UHFFFAOYSA-N 1 0 484.689 3.039 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001304549189 1067618167 /nfs/dbraw/zinc/61/81/67/1067618167.db2.gz GQCHYGGOVGUGSQ-YADHBBJMSA-N 1 0 452.647 3.499 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304549267 1067618408 /nfs/dbraw/zinc/61/84/08/1067618408.db2.gz INELUIPWQUSPJF-ZRBLBEILSA-N 1 0 452.647 3.401 20 0 JGADRO O=C(NCC(F)(F)F)[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCCC[NH+]2CCCC2)C1 ZINC001303086617 1067619832 /nfs/dbraw/zinc/61/98/32/1067619832.db2.gz KAFIBDWEGRUHAP-KRWDZBQOSA-N 1 0 467.540 3.044 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001304550537 1067620013 /nfs/dbraw/zinc/62/00/13/1067620013.db2.gz XTMUOCBKZVLYPB-QUCCMNQESA-N 1 0 452.628 3.209 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001304550715 1067620112 /nfs/dbraw/zinc/62/01/12/1067620112.db2.gz MFZGXSIZTNXEAS-DEOSSOPVSA-N 1 0 468.690 3.455 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001304551595 1067621136 /nfs/dbraw/zinc/62/11/36/1067621136.db2.gz TYKIYBQJEOUOJH-UHFFFAOYSA-N 1 0 452.647 3.260 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C(N)=O)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304551962 1067621468 /nfs/dbraw/zinc/62/14/68/1067621468.db2.gz PGQNESKFHPBNIN-BCHFMIIMSA-N 1 0 452.647 3.390 20 0 JGADRO Cc1occc1C(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001304553190 1067622561 /nfs/dbraw/zinc/62/25/61/1067622561.db2.gz OBIRNRDDQYSFSO-IBGZPJMESA-N 1 0 464.614 3.428 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001304553376 1067622891 /nfs/dbraw/zinc/62/28/91/1067622891.db2.gz PNTVXRFZBBNBQH-QFIPXVFZSA-N 1 0 473.687 3.455 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001304555678 1067624541 /nfs/dbraw/zinc/62/45/41/1067624541.db2.gz BPCLLQLXALWTAM-UHFFFAOYSA-N 1 0 452.647 3.356 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001303089423 1067625102 /nfs/dbraw/zinc/62/51/02/1067625102.db2.gz AHQUWWXLTMWZMX-MRXNPFEDSA-N 1 0 494.482 3.494 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001303089422 1067625120 /nfs/dbraw/zinc/62/51/20/1067625120.db2.gz AHQUWWXLTMWZMX-INIZCTEOSA-N 1 0 494.482 3.494 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001304556878 1067625667 /nfs/dbraw/zinc/62/56/67/1067625667.db2.gz NNVUKJQPMVMAEU-WPYKKVEZSA-N 1 0 473.687 3.311 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001304556934 1067625703 /nfs/dbraw/zinc/62/57/03/1067625703.db2.gz OPVQEKNFVQAXSD-JOCHJYFZSA-N 1 0 452.647 3.404 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001303089640 1067625949 /nfs/dbraw/zinc/62/59/49/1067625949.db2.gz DXGGXNURXBDXBP-UHFFFAOYSA-N 1 0 478.682 3.010 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001304557154 1067626019 /nfs/dbraw/zinc/62/60/19/1067626019.db2.gz PWMGBPWHLLBWDY-JOCHJYFZSA-N 1 0 473.687 3.455 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001303090218 1067626653 /nfs/dbraw/zinc/62/66/53/1067626653.db2.gz PBNXWLRRONNMMN-QFIPXVFZSA-N 1 0 489.686 3.332 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001304558200 1067626830 /nfs/dbraw/zinc/62/68/30/1067626830.db2.gz WWWHFSFQKZFRRO-RBBKRZOGSA-N 1 0 452.647 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CC[N@@H+](C)C(C)C ZINC001304558561 1067627210 /nfs/dbraw/zinc/62/72/10/1067627210.db2.gz AYBQSOBWLULATP-UHFFFAOYSA-N 1 0 450.587 3.073 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001303090925 1067627392 /nfs/dbraw/zinc/62/73/92/1067627392.db2.gz HSFGBQMDDAGIHI-OAQYLSRUSA-N 1 0 456.610 3.078 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001304558768 1067627519 /nfs/dbraw/zinc/62/75/19/1067627519.db2.gz GCZCSZPHDDMAKQ-UHFFFAOYSA-N 1 0 452.647 3.358 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001304559108 1067628353 /nfs/dbraw/zinc/62/83/53/1067628353.db2.gz IDOOIROKXCIMKI-QFIPXVFZSA-N 1 0 473.687 3.455 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001304560203 1067629493 /nfs/dbraw/zinc/62/94/93/1067629493.db2.gz DJDLQPFNXLTTRT-FQEVSTJZSA-N 1 0 494.606 3.361 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCC(=O)N(C)C ZINC001304560552 1067630196 /nfs/dbraw/zinc/63/01/96/1067630196.db2.gz UFUMWEXKIYTJST-HXUWFJFHSA-N 1 0 452.647 3.356 20 0 JGADRO Cc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001304570397 1067638402 /nfs/dbraw/zinc/63/84/02/1067638402.db2.gz MONMZWSYDJCZAZ-UHFFFAOYSA-N 1 0 464.561 3.377 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ncn(C)n2)cc1 ZINC001303100764 1067639005 /nfs/dbraw/zinc/63/90/05/1067639005.db2.gz GVTBZBIKZUAUMA-UHFFFAOYSA-N 1 0 466.634 3.325 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001304571021 1067639125 /nfs/dbraw/zinc/63/91/25/1067639125.db2.gz VAGMXXNIRGSVPH-QFIPXVFZSA-N 1 0 468.646 3.455 20 0 JGADRO Cc1ccccc1N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001304572286 1067640728 /nfs/dbraw/zinc/64/07/28/1067640728.db2.gz YNCFERCJEIJCIL-JOCHJYFZSA-N 1 0 467.662 3.012 20 0 JGADRO Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001304572438 1067641118 /nfs/dbraw/zinc/64/11/18/1067641118.db2.gz GXJYCHKYIOWVGF-VXKWHMMOSA-N 1 0 482.673 3.385 20 0 JGADRO Nc1c(F)cc(Br)cc1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001303103432 1067642041 /nfs/dbraw/zinc/64/20/41/1067642041.db2.gz HPXHXVPGDFPPLJ-UHFFFAOYSA-N 1 0 450.352 3.317 20 0 JGADRO Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304579147 1067647578 /nfs/dbraw/zinc/64/75/78/1067647578.db2.gz FUNRGTWGGWJTRK-SFTDATJTSA-N 1 0 488.702 3.164 20 0 JGADRO Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304579145 1067647606 /nfs/dbraw/zinc/64/76/06/1067647606.db2.gz FUNRGTWGGWJTRK-NHCUHLMSSA-N 1 0 488.702 3.164 20 0 JGADRO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001304579125 1067647625 /nfs/dbraw/zinc/64/76/25/1067647625.db2.gz FFOUTGIMUKXXKH-UHFFFAOYSA-N 1 0 488.702 3.485 20 0 JGADRO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304579290 1067648237 /nfs/dbraw/zinc/64/82/37/1067648237.db2.gz HNQCERCGMYHQBZ-UHFFFAOYSA-N 1 0 490.718 3.274 20 0 JGADRO Cc1ccnc(OC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001304581797 1067650868 /nfs/dbraw/zinc/65/08/68/1067650868.db2.gz CKSYKJDSRCXLBO-HXUWFJFHSA-N 1 0 471.650 3.144 20 0 JGADRO CC(C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001303114075 1067652036 /nfs/dbraw/zinc/65/20/36/1067652036.db2.gz ONXNDNTZKRXYQU-HXUWFJFHSA-N 1 0 455.607 3.053 20 0 JGADRO CC1=CCCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001304585370 1067654172 /nfs/dbraw/zinc/65/41/72/1067654172.db2.gz GMDPEXFHFBVRLQ-FQEVSTJZSA-N 1 0 450.356 3.070 20 0 JGADRO CC1=CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001304586142 1067655107 /nfs/dbraw/zinc/65/51/07/1067655107.db2.gz RPSYNTFQBQBNHX-SFHVURJKSA-N 1 0 463.424 3.049 20 0 JGADRO CC1=CCCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001304589742 1067657246 /nfs/dbraw/zinc/65/72/46/1067657246.db2.gz HVVOIWULPRVTKL-NRFANRHFSA-N 1 0 470.593 3.095 20 0 JGADRO CC(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001303118621 1067657219 /nfs/dbraw/zinc/65/72/19/1067657219.db2.gz ZQEDSXZORBTEEA-QFIPXVFZSA-N 1 0 489.064 3.404 20 0 JGADRO CC1=CCCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001304589744 1067657284 /nfs/dbraw/zinc/65/72/84/1067657284.db2.gz HVVOIWULPRVTKL-OAQYLSRUSA-N 1 0 470.593 3.095 20 0 JGADRO Cc1cnn(CC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001304601128 1067665447 /nfs/dbraw/zinc/66/54/47/1067665447.db2.gz SVJUGNUHGXKTCK-NRFANRHFSA-N 1 0 470.666 3.102 20 0 JGADRO Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCOCC[NH+](C)C)CCO2)c1 ZINC001304601910 1067666929 /nfs/dbraw/zinc/66/69/29/1067666929.db2.gz JDULXSQAFRLBSP-DEOSSOPVSA-N 1 0 495.672 3.231 20 0 JGADRO Cc1cnn(C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CCO2)c1 ZINC001304603598 1067669116 /nfs/dbraw/zinc/66/91/16/1067669116.db2.gz SMBKOTUVOUMPJI-PMACEKPBSA-N 1 0 457.648 3.350 20 0 JGADRO Cc1cnn(C[C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CCO2)c1 ZINC001304603599 1067669158 /nfs/dbraw/zinc/66/91/58/1067669158.db2.gz SMBKOTUVOUMPJI-UXHICEINSA-N 1 0 457.648 3.350 20 0 JGADRO CC(C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+](C)Cc1ccccc1 ZINC001303132809 1067672914 /nfs/dbraw/zinc/67/29/14/1067672914.db2.gz AGBGSCVLYPJVEU-UHFFFAOYSA-N 1 0 469.659 3.462 20 0 JGADRO CC(C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[NH+]1CCC(C)CC1 ZINC001303133631 1067673478 /nfs/dbraw/zinc/67/34/78/1067673478.db2.gz VFWCXNGKPRTKPP-UHFFFAOYSA-N 1 0 461.680 3.452 20 0 JGADRO OC1(C(F)(F)F)CCN(c2nnc(Cc3ccccn3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001303136333 1067677252 /nfs/dbraw/zinc/67/72/52/1067677252.db2.gz PVNSFUIQWOLLCU-UHFFFAOYSA-N 1 0 466.552 3.424 20 0 JGADRO CC(C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001303137308 1067678578 /nfs/dbraw/zinc/67/85/78/1067678578.db2.gz BATZUJLHEFVOPJ-NRFANRHFSA-N 1 0 451.619 3.405 20 0 JGADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCSCC1 ZINC001303143522 1067682392 /nfs/dbraw/zinc/68/23/92/1067682392.db2.gz GGIKAMGDLACCAU-GOSISDBHSA-N 1 0 467.586 3.337 20 0 JGADRO OC1CC[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001303144024 1067682896 /nfs/dbraw/zinc/68/28/96/1067682896.db2.gz PPVNFUKZAKKXOZ-KRWDZBQOSA-N 1 0 467.536 3.325 20 0 JGADRO OC1CC[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001303144027 1067682921 /nfs/dbraw/zinc/68/29/21/1067682921.db2.gz PPVNFUKZAKKXOZ-QGZVFWFLSA-N 1 0 467.536 3.325 20 0 JGADRO OC[C@@H]1CCC[N@@H+]1CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001303144192 1067683329 /nfs/dbraw/zinc/68/33/29/1067683329.db2.gz NJIHEYZBRAKRCW-ICSRJNTNSA-N 1 0 466.552 3.280 20 0 JGADRO Cc1csc([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)n1 ZINC001304616713 1067684532 /nfs/dbraw/zinc/68/45/32/1067684532.db2.gz AORCRGCNAPIHET-GOSISDBHSA-N 1 0 455.632 3.456 20 0 JGADRO CC(C)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC001303147723 1067686164 /nfs/dbraw/zinc/68/61/64/1067686164.db2.gz XHFDVCSQMWBCPP-GOSISDBHSA-N 1 0 466.696 3.168 20 0 JGADRO OCCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001303151370 1067688138 /nfs/dbraw/zinc/68/81/38/1067688138.db2.gz KVGWFXJTCVWCMA-LJQANCHMSA-N 1 0 492.462 3.419 20 0 JGADRO Cc1csc([C@H]2CN(c3nnc(C(C)C)n3CC3CC[NH+](CCN(C)C)CC3)CCO2)n1 ZINC001304619988 1067688278 /nfs/dbraw/zinc/68/82/78/1067688278.db2.gz BBOFDRDTHKQLAG-HXUWFJFHSA-N 1 0 461.680 3.018 20 0 JGADRO Cc1csc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+](C)Cc3ccccc3)CCO2)n1 ZINC001304620347 1067688812 /nfs/dbraw/zinc/68/88/12/1067688812.db2.gz DRDTWYPNUZXSCU-NRFANRHFSA-N 1 0 497.669 3.281 20 0 JGADRO OCCC[N@@H+]1CCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001303152820 1067689622 /nfs/dbraw/zinc/68/96/22/1067689622.db2.gz GHRRYAWWYUHUPW-OALUTQOASA-N 1 0 459.557 3.330 20 0 JGADRO OCCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC=C(Br)C1 ZINC001303153370 1067691111 /nfs/dbraw/zinc/69/11/11/1067691111.db2.gz ZGOFZZJHHVGFJR-KRWDZBQOSA-N 1 0 481.826 3.329 20 0 JGADRO OCCC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCCOCC1 ZINC001303153219 1067691139 /nfs/dbraw/zinc/69/11/39/1067691139.db2.gz UMUCEOHXSFOIEQ-IBGZPJMESA-N 1 0 466.051 3.297 20 0 JGADRO OCCN(Cc1cc(Br)ccc1F)c1nnc(C2CCC2)n1CC[NH+]1CCSCC1 ZINC001303159658 1067695100 /nfs/dbraw/zinc/69/51/00/1067695100.db2.gz JSYYUYRPCCWFDC-UHFFFAOYSA-N 1 0 498.466 3.495 20 0 JGADRO OCCCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001303159933 1067695658 /nfs/dbraw/zinc/69/56/58/1067695658.db2.gz NKOKDSGWQSTRKW-UHFFFAOYSA-N 1 0 465.614 3.327 20 0 JGADRO OCCCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001303160246 1067696049 /nfs/dbraw/zinc/69/60/49/1067696049.db2.gz NWVMPCWSOURLKT-UHFFFAOYSA-N 1 0 498.466 3.494 20 0 JGADRO Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001304626153 1067696985 /nfs/dbraw/zinc/69/69/85/1067696985.db2.gz NPDLJRMMXMBOBW-QFIPXVFZSA-N 1 0 471.656 3.369 20 0 JGADRO Cc1csc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[NH+](CCOC(C)C)CC2)n1 ZINC001304630890 1067701420 /nfs/dbraw/zinc/70/14/20/1067701420.db2.gz HRUXAKLEJBDPGW-UHFFFAOYSA-N 1 0 494.463 3.396 20 0 JGADRO CC(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303170010 1067703691 /nfs/dbraw/zinc/70/36/91/1067703691.db2.gz PLAJRDPGNSIMAR-KDURUIRLSA-N 1 0 474.675 3.251 20 0 JGADRO Cc1csc(N2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001304635018 1067703882 /nfs/dbraw/zinc/70/38/82/1067703882.db2.gz NBFLWNAMYSMOMH-IPMKNSEASA-N 1 0 461.680 3.238 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)C1 ZINC001303172227 1067705035 /nfs/dbraw/zinc/70/50/35/1067705035.db2.gz CISSOZBHUFMDIJ-SFHVURJKSA-N 1 0 481.613 3.483 20 0 JGADRO Cc1cscc1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304637389 1067705799 /nfs/dbraw/zinc/70/57/99/1067705799.db2.gz HKIIZKIVWLOQMF-UHFFFAOYSA-N 1 0 483.564 3.188 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303172539 1067705987 /nfs/dbraw/zinc/70/59/87/1067705987.db2.gz ISWSIUNDYXDGKD-OALUTQOASA-N 1 0 495.594 3.156 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3)CC2)C1 ZINC001303172603 1067706647 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/nfs/dbraw/zinc/71/27/44/1067712744.db2.gz PYXMKPLTXRBTSY-CTNGQTDRSA-N 1 0 477.650 3.324 20 0 JGADRO Cc1nc(C)c(Cn2c(N3CC[NH+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001304644286 1067712909 /nfs/dbraw/zinc/71/29/09/1067712909.db2.gz NMQPMKWWDHPHLX-HSZRJFAPSA-N 1 0 462.664 3.361 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001303179375 1067713214 /nfs/dbraw/zinc/71/32/14/1067713214.db2.gz UWGMXTJGHBTUEB-NNXSRULWSA-N 1 0 474.694 3.232 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CC(N)=O)C1 ZINC001303179643 1067713620 /nfs/dbraw/zinc/71/36/20/1067713620.db2.gz XOWSFTWYOQBXJN-WOJBJXKFSA-N 1 0 465.646 3.418 20 0 JGADRO CN1C(=O)C[C@H](C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001303180867 1067714040 /nfs/dbraw/zinc/71/40/40/1067714040.db2.gz UMMAGJJTWCFANZ-XGHQBKJUSA-N 1 0 454.398 3.272 20 0 JGADRO CN1C(=O)C[C@H](C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001303180865 1067714066 /nfs/dbraw/zinc/71/40/66/1067714066.db2.gz UMMAGJJTWCFANZ-LLGFUMIMSA-N 1 0 454.398 3.272 20 0 JGADRO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC001303182609 1067714849 /nfs/dbraw/zinc/71/48/49/1067714849.db2.gz CKCOIFQZLDWLMI-GOSISDBHSA-N 1 0 493.027 3.011 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCS(C)(=O)=O)CC1 ZINC001303182872 1067714957 /nfs/dbraw/zinc/71/49/57/1067714957.db2.gz FEOPRXNJVFYXIT-UHFFFAOYSA-N 1 0 491.702 3.082 20 0 JGADRO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC001303182908 1067715380 /nfs/dbraw/zinc/71/53/80/1067715380.db2.gz GPYXDUYFTZBZPY-WOJBJXKFSA-N 1 0 489.064 3.402 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCCO)CC1 ZINC001303183273 1067715817 /nfs/dbraw/zinc/71/58/17/1067715817.db2.gz BQNWDJUECXCOLV-UHFFFAOYSA-N 1 0 453.429 3.366 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001303183642 1067716476 /nfs/dbraw/zinc/71/64/76/1067716476.db2.gz FSDCMTKJRRYYIM-KAYWLYCHSA-N 1 0 485.673 3.395 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001303183639 1067716544 /nfs/dbraw/zinc/71/65/44/1067716544.db2.gz FRVHXIOYYZOVSS-UYAOXDASSA-N 1 0 463.623 3.265 20 0 JGADRO Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC001304650933 1067718553 /nfs/dbraw/zinc/71/85/53/1067718553.db2.gz MHEUQQBXOGPFSS-QGZVFWFLSA-N 1 0 488.731 3.356 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CC1 ZINC001303185049 1067719237 /nfs/dbraw/zinc/71/92/37/1067719237.db2.gz ZFQHHFFDRUYFDN-UHFFFAOYSA-N 1 0 456.978 3.286 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccsc2)CC1 ZINC001303185333 1067720287 /nfs/dbraw/zinc/72/02/87/1067720287.db2.gz ZAEXUUHKKJTUQH-UHFFFAOYSA-N 1 0 473.668 3.431 20 0 JGADRO Cc1nc([C@@H]2CN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CC(C)(C)C[NH+](C)C)CCO2)no1 ZINC001304652957 1067720844 /nfs/dbraw/zinc/72/08/44/1067720844.db2.gz OFSFVZPRRIEQAM-CEXWTWQISA-N 1 0 475.638 3.054 20 0 JGADRO CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1=O ZINC001303188349 1067722682 /nfs/dbraw/zinc/72/26/82/1067722682.db2.gz HPANRASBSQKOSR-WOJBJXKFSA-N 1 0 455.651 3.477 20 0 JGADRO Cc1nc(Cc2nnc(N(C)Cc3cnn(C)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001304654631 1067722842 /nfs/dbraw/zinc/72/28/42/1067722842.db2.gz NKFMUWUVWRWHJM-QZTJIDSGSA-N 1 0 456.664 3.372 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001303188776 1067723122 /nfs/dbraw/zinc/72/31/22/1067723122.db2.gz IIBILSYSMUSHME-UHFFFAOYSA-N 1 0 465.650 3.177 20 0 JGADRO CC(C)CN1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1=O ZINC001303189490 1067724107 /nfs/dbraw/zinc/72/41/07/1067724107.db2.gz SPGKPVCLGSREDV-NRFANRHFSA-N 1 0 461.614 3.165 20 0 JGADRO Cc1nc(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001304656043 1067724356 /nfs/dbraw/zinc/72/43/56/1067724356.db2.gz FLJUNFUDKGETOD-UXHICEINSA-N 1 0 489.734 3.301 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001303190300 1067724525 /nfs/dbraw/zinc/72/45/25/1067724525.db2.gz VULGCJBIFBMWBW-UHFFFAOYSA-N 1 0 484.649 3.024 20 0 JGADRO Cc1nc(Cc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cs1 ZINC001304656224 1067724745 /nfs/dbraw/zinc/72/47/45/1067724745.db2.gz IIFCUOZZLBXILN-HTAPYJJXSA-N 1 0 482.720 3.015 20 0 JGADRO Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC001304656157 1067724756 /nfs/dbraw/zinc/72/47/56/1067724756.db2.gz HIVFFVAPNRIMTQ-OALUTQOASA-N 1 0 476.691 3.386 20 0 JGADRO Cc1nc(Cc2nnc(N(C)CCc3cnccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001304656719 1067725194 /nfs/dbraw/zinc/72/51/94/1067725194.db2.gz ONTXXNHEMRKVCF-FQEVSTJZSA-N 1 0 454.648 3.223 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303191429 1067725353 /nfs/dbraw/zinc/72/53/53/1067725353.db2.gz AXIKWVDLCNVINI-JOCHJYFZSA-N 1 0 454.619 3.048 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303191844 1067725991 /nfs/dbraw/zinc/72/59/91/1067725991.db2.gz IVDDCPNCMIIADG-LEWJYISDSA-N 1 0 476.666 3.207 20 0 JGADRO CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@@H](C)C1=O ZINC001303192512 1067726939 /nfs/dbraw/zinc/72/69/39/1067726939.db2.gz URJQGSUBZYZDTG-IFOBJOEFSA-N 1 0 474.694 3.376 20 0 JGADRO CC(C)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCCCC[NH+]2CCCCC2)CC1=O ZINC001303192534 1067727147 /nfs/dbraw/zinc/72/71/47/1067727147.db2.gz VEZAEUCBISFKHI-JOCHJYFZSA-N 1 0 460.667 3.481 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001303195287 1067728420 /nfs/dbraw/zinc/72/84/20/1067728420.db2.gz FMHGUAYXZPCWIM-FQEVSTJZSA-N 1 0 471.650 3.203 20 0 JGADRO CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2CCC(C)CC2)[C@@H](C)C1=O ZINC001303195784 1067728762 /nfs/dbraw/zinc/72/87/62/1067728762.db2.gz GURUSLLZEBBSNS-QFIPXVFZSA-N 1 0 467.662 3.079 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303195925 1067728980 /nfs/dbraw/zinc/72/89/80/1067728980.db2.gz FPBQVNSMXBJOBY-UHFFFAOYSA-N 1 0 456.532 3.280 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2C[C@H]2C)CC1 ZINC001303195907 1067729128 /nfs/dbraw/zinc/72/91/28/1067729128.db2.gz FLIDBJFJVUYSAO-AQNXPRMDSA-N 1 0 462.639 3.021 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 ZINC001303196070 1067729398 /nfs/dbraw/zinc/72/93/98/1067729398.db2.gz OUQIBSGGWGESEV-QFIPXVFZSA-N 1 0 488.080 3.135 20 0 JGADRO CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 ZINC001303196069 1067729482 /nfs/dbraw/zinc/72/94/82/1067729482.db2.gz OUQIBSGGWGESEV-JOCHJYFZSA-N 1 0 488.080 3.135 20 0 JGADRO CC(C)CN1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1=O ZINC001303196047 1067729580 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JCQSTYORJGYDLN-HXUWFJFHSA-N 1 0 456.683 3.196 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001303269226 1067797834 /nfs/dbraw/zinc/79/78/34/1067797834.db2.gz UUZJYWGFVAYDOI-FQEVSTJZSA-N 1 0 461.010 3.086 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C ZINC001303269476 1067798247 /nfs/dbraw/zinc/79/82/47/1067798247.db2.gz ZMPXELRFMLICTQ-HSALFYBXSA-N 1 0 458.655 3.397 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001303269353 1067798459 /nfs/dbraw/zinc/79/84/59/1067798459.db2.gz YPVOPFHRAZJIFJ-UHFFFAOYSA-N 1 0 481.670 3.086 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001303270099 1067798644 /nfs/dbraw/zinc/79/86/44/1067798644.db2.gz GKNYNEQAHWNFEM-CABCVRRESA-N 1 0 481.464 3.072 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001303270067 1067798773 /nfs/dbraw/zinc/79/87/73/1067798773.db2.gz FZTKZHAVBKZOBY-OAQYLSRUSA-N 1 0 482.398 3.183 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC2(CCC2)C1 ZINC001303269496 1067798891 /nfs/dbraw/zinc/79/88/91/1067798891.db2.gz ZZCZDEIFSYDNJP-UHFFFAOYSA-N 1 0 451.413 3.146 20 0 JGADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001303270031 1067798901 /nfs/dbraw/zinc/79/89/01/1067798901.db2.gz FMEGBULHUPRWDW-UHFFFAOYSA-N 1 0 462.042 3.417 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001303270363 1067799278 /nfs/dbraw/zinc/79/92/78/1067799278.db2.gz IXUXTLQZRAXOPR-UHFFFAOYSA-N 1 0 455.998 3.205 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001303271712 1067800437 /nfs/dbraw/zinc/80/04/37/1067800437.db2.gz TUXWIHFQUYOREV-UHFFFAOYSA-N 1 0 465.577 3.172 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001303274661 1067802254 /nfs/dbraw/zinc/80/22/54/1067802254.db2.gz KDMTZJMKHAPZLS-CRAIPNDOSA-N 1 0 477.535 3.167 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001303275084 1067802511 /nfs/dbraw/zinc/80/25/11/1067802511.db2.gz RUMZOEGZDHDZGO-UHFFFAOYSA-N 1 0 485.536 3.458 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303276067 1067803613 /nfs/dbraw/zinc/80/36/13/1067803613.db2.gz ITWYHTSZFXMVMG-NRFANRHFSA-N 1 0 486.617 3.188 20 0 JGADRO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C(C)C ZINC001303276388 1067803802 /nfs/dbraw/zinc/80/38/02/1067803802.db2.gz LYVIUCZBJJGYFU-LJQANCHMSA-N 1 0 451.612 3.075 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001303277393 1067805170 /nfs/dbraw/zinc/80/51/70/1067805170.db2.gz QVVGYOQYBAMBKE-UHFFFAOYSA-N 1 0 455.557 3.209 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CCC(N)=O)CC1 ZINC001303277800 1067805374 /nfs/dbraw/zinc/80/53/74/1067805374.db2.gz VEYHDZCYMQBODN-UHFFFAOYSA-N 1 0 451.619 3.172 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4cccnc4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001304732693 1067805969 /nfs/dbraw/zinc/80/59/69/1067805969.db2.gz FQKCUIGSRZWPAM-FGZHOGPDSA-N 1 0 451.623 3.366 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001303278383 1067806501 /nfs/dbraw/zinc/80/65/01/1067806501.db2.gz BQUFUDVKTYQDLP-OAHLLOKOSA-N 1 0 469.417 3.206 20 0 JGADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(Cc4ccccc4F)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001304735150 1067809085 /nfs/dbraw/zinc/80/90/85/1067809085.db2.gz RFKRPIBDOJTKSJ-NRFANRHFSA-N 1 0 454.598 3.398 20 0 JGADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001303282040 1067809690 /nfs/dbraw/zinc/80/96/90/1067809690.db2.gz PGKMXCXUNPXLSJ-HKUYNNGSSA-N 1 0 463.623 3.217 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001304739438 1067813036 /nfs/dbraw/zinc/81/30/36/1067813036.db2.gz DWHYUDQVLVKBEA-WWPVKYPJSA-N 1 0 457.667 3.392 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001304739436 1067813326 /nfs/dbraw/zinc/81/33/26/1067813326.db2.gz DWHYUDQVLVKBEA-PTUXOGIPSA-N 1 0 457.667 3.392 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)C(C)C ZINC001303290889 1067814949 /nfs/dbraw/zinc/81/49/49/1067814949.db2.gz HBOOKRHDZPQAER-UHFFFAOYSA-N 1 0 476.691 3.314 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CCc2c(ccnc2N(C)C)C1)C(C)C ZINC001303291108 1067815170 /nfs/dbraw/zinc/81/51/70/1067815170.db2.gz KTMTUBSTKNVSMN-UHFFFAOYSA-N 1 0 463.634 3.268 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001303291542 1067815604 /nfs/dbraw/zinc/81/56/04/1067815604.db2.gz JMPCZEOZRHVWFN-LEWJYISDSA-N 1 0 494.681 3.021 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C ZINC001303291646 1067816385 /nfs/dbraw/zinc/81/63/85/1067816385.db2.gz SQVNWRMNQWOFDM-FQEVSTJZSA-N 1 0 462.042 3.023 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)C(C)C ZINC001303291702 1067816651 /nfs/dbraw/zinc/81/66/51/1067816651.db2.gz VXGZJYUVLXWZSS-JOCHJYFZSA-N 1 0 453.635 3.494 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001304741076 1067816718 /nfs/dbraw/zinc/81/67/18/1067816718.db2.gz XUERTWZMLYLDOG-JOCHJYFZSA-N 1 0 487.052 3.181 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001303291920 1067817025 /nfs/dbraw/zinc/81/70/25/1067817025.db2.gz PCHKGPJZNSAPCQ-SFTDATJTSA-N 1 0 469.696 3.085 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001304741430 1067817175 /nfs/dbraw/zinc/81/71/75/1067817175.db2.gz VXEVESKKAHANAP-KNQAVFIVSA-N 1 0 456.683 3.181 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)c2ccccc2C1)C(C)C ZINC001303292345 1067817536 /nfs/dbraw/zinc/81/75/36/1067817536.db2.gz XRMHXWNUVLCUMB-NRFANRHFSA-N 1 0 453.635 3.195 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)C(C)C ZINC001303292753 1067818430 /nfs/dbraw/zinc/81/84/30/1067818430.db2.gz OLTCFEMRKUBKSI-HSZRJFAPSA-N 1 0 464.561 3.367 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C ZINC001303292941 1067818644 /nfs/dbraw/zinc/81/86/44/1067818644.db2.gz VXRFYVWGESIFGX-RQNQAMLKSA-N 1 0 474.694 3.422 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C ZINC001303292940 1067818676 /nfs/dbraw/zinc/81/86/76/1067818676.db2.gz VXRFYVWGESIFGX-MZEQIWSPSA-N 1 0 474.694 3.422 20 0 JGADRO CC(C)[NH+](CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2)CC1)C(C)C ZINC001303292948 1067818690 /nfs/dbraw/zinc/81/86/90/1067818690.db2.gz WFGLRWLCIMZNBF-UHFFFAOYSA-N 1 0 467.662 3.236 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001304741812 1067818764 /nfs/dbraw/zinc/81/87/64/1067818764.db2.gz ANIRUVGJJDGOSU-LJQANCHMSA-N 1 0 474.057 3.283 20 0 JGADRO CC(C)[NH+](CCCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C)C(C)C ZINC001303292967 1067818728 /nfs/dbraw/zinc/81/87/28/1067818728.db2.gz XAUOSBFGUMBIII-QHCPKHFHSA-N 1 0 483.705 3.433 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCOC1)C(C)C ZINC001303292831 1067818747 /nfs/dbraw/zinc/81/87/47/1067818747.db2.gz QKISJEOGPQIQFC-HXUWFJFHSA-N 1 0 463.026 3.205 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(F)(F)C1)C(C)C ZINC001303293030 1067818931 /nfs/dbraw/zinc/81/89/31/1067818931.db2.gz ZBHRTJXAXMIMOM-UHFFFAOYSA-N 1 0 455.575 3.313 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(F)F)c3)n2CC[NH+]2CCSCC2)n1 ZINC001304742292 1067819039 /nfs/dbraw/zinc/81/90/39/1067819039.db2.gz ABLWZOOHLFLYQZ-UHFFFAOYSA-N 1 0 491.612 3.426 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3nc4ccccc4c(=O)[nH]3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304742156 1067819261 /nfs/dbraw/zinc/81/92/61/1067819261.db2.gz FNWLFIUHYCFGLO-UHFFFAOYSA-N 1 0 477.617 3.155 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(F)c3)n2CCCC[NH+]2CCOCC2)n1 ZINC001304742366 1067819565 /nfs/dbraw/zinc/81/95/65/1067819565.db2.gz CXRVUGNYRFBUPE-UHFFFAOYSA-N 1 0 455.582 3.028 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1)C(C)C ZINC001303296077 1067819924 /nfs/dbraw/zinc/81/99/24/1067819924.db2.gz CAKOXPOJIOJSJV-UHFFFAOYSA-N 1 0 489.668 3.274 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCSC2(CCOCC2)C1)C(C)C ZINC001303296389 1067819961 /nfs/dbraw/zinc/81/99/61/1067819961.db2.gz HOKLZZQRUYAPPZ-UHFFFAOYSA-N 1 0 458.676 3.485 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC2CCC2)CC1 ZINC001303296584 1067820192 /nfs/dbraw/zinc/82/01/92/1067820192.db2.gz BMMMKGULQIAXLW-UHFFFAOYSA-N 1 0 489.064 3.333 20 0 JGADRO CC(C)[NH+](CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)C(C)C ZINC001303296658 1067820429 /nfs/dbraw/zinc/82/04/29/1067820429.db2.gz CSHJLELPUFOXRR-HSZRJFAPSA-N 1 0 485.608 3.426 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C(C)C ZINC001303296599 1067820481 /nfs/dbraw/zinc/82/04/81/1067820481.db2.gz KBOBSRPPDIHMRB-UHFFFAOYSA-N 1 0 455.651 3.077 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304743105 1067820516 /nfs/dbraw/zinc/82/05/16/1067820516.db2.gz HITHVVZYMPODJZ-GGAORHGYSA-N 1 0 451.619 3.133 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)C(C)C ZINC001303296712 1067820572 /nfs/dbraw/zinc/82/05/72/1067820572.db2.gz UADHEWWVQDPZHL-PMACEKPBSA-N 1 0 463.026 3.497 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1(c2ccccc2)CC1)C(C)C ZINC001303297314 1067821345 /nfs/dbraw/zinc/82/13/45/1067821345.db2.gz BBVDLWXACVWZTC-OAQYLSRUSA-N 1 0 473.687 3.467 20 0 JGADRO CC(C)[NH+](CCn1c(C2CCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)C(C)C ZINC001303298112 1067822074 /nfs/dbraw/zinc/82/20/74/1067822074.db2.gz IBDWUGSCKYFDBJ-UHFFFAOYSA-N 1 0 452.603 3.397 20 0 JGADRO CC(C)[NH+](CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1)C(C)C ZINC001303298003 1067822283 /nfs/dbraw/zinc/82/22/83/1067822283.db2.gz ZFXFUXPQNNEKBK-UHFFFAOYSA-N 1 0 454.619 3.017 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H]2C)CC1 ZINC001303298204 1067822513 /nfs/dbraw/zinc/82/25/13/1067822513.db2.gz PXSBSMIUKMUASC-HNNXBMFYSA-N 1 0 451.413 3.260 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc([C@@H]4CCOC4)n3CCSCC(F)(F)F)CC2)CC1 ZINC001303298417 1067822920 /nfs/dbraw/zinc/82/29/20/1067822920.db2.gz UAMBJVKPFOKPAO-GOSISDBHSA-N 1 0 490.640 3.072 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)C(C)C ZINC001303298297 1067822999 /nfs/dbraw/zinc/82/29/99/1067822999.db2.gz KPVNFQLJIGCJHT-YTTGMZPUSA-N 1 0 455.632 3.228 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)C(C)C ZINC001303299714 1067824300 /nfs/dbraw/zinc/82/43/00/1067824300.db2.gz YOYFRDPYZDKBNN-OAQYLSRUSA-N 1 0 469.556 3.384 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC001303299744 1067824329 /nfs/dbraw/zinc/82/43/29/1067824329.db2.gz ZKEZXRZEWXNOOO-SFTDATJTSA-N 1 0 458.582 3.065 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC001303299742 1067824365 /nfs/dbraw/zinc/82/43/65/1067824365.db2.gz ZKEZXRZEWXNOOO-NHCUHLMSSA-N 1 0 458.582 3.065 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](COc2ccccc2)C1)C(C)C ZINC001303299709 1067824426 /nfs/dbraw/zinc/82/44/26/1067824426.db2.gz YMJJPDWFYMUKEA-RBBKRZOGSA-N 1 0 454.619 3.253 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001303301299 1067825304 /nfs/dbraw/zinc/82/53/04/1067825304.db2.gz GFOAKZYHPUUMNL-HXUWFJFHSA-N 1 0 479.629 3.134 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001303301539 1067825619 /nfs/dbraw/zinc/82/56/19/1067825619.db2.gz JIRCEUGXMFZMJB-JOCHJYFZSA-N 1 0 495.455 3.189 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001303301541 1067825691 /nfs/dbraw/zinc/82/56/91/1067825691.db2.gz JIRCEUGXMFZMJB-QFIPXVFZSA-N 1 0 495.455 3.189 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001303302045 1067826854 /nfs/dbraw/zinc/82/68/54/1067826854.db2.gz ZRDNXJQEYGNWCD-NRFANRHFSA-N 1 0 482.673 3.180 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3cccnc3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001303302329 1067827372 /nfs/dbraw/zinc/82/73/72/1067827372.db2.gz HQIXVYDJRQJGBG-UHFFFAOYSA-N 1 0 466.605 3.317 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N3CCC(NC(=O)c4ccsc4)CC3)nnc2C(C)(C)C)CC1 ZINC001303302501 1067827377 /nfs/dbraw/zinc/82/73/77/1067827377.db2.gz KEISZDTZYOOJQU-UHFFFAOYSA-N 1 0 488.702 3.271 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(F)(F)C2)C1 ZINC001303302539 1067827630 /nfs/dbraw/zinc/82/76/30/1067827630.db2.gz LKWMNIVYCJAVPX-SFHVURJKSA-N 1 0 496.628 3.161 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001303302786 1067827845 /nfs/dbraw/zinc/82/78/45/1067827845.db2.gz MUHXPZKCLUBMSA-NRFANRHFSA-N 1 0 490.693 3.350 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC(F)(F)C2)C1 ZINC001303302538 1067827884 /nfs/dbraw/zinc/82/78/84/1067827884.db2.gz LKWMNIVYCJAVPX-GOSISDBHSA-N 1 0 496.628 3.161 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001303302972 1067828141 /nfs/dbraw/zinc/82/81/41/1067828141.db2.gz OSQLGXRWGKVRHS-GOSISDBHSA-N 1 0 459.557 3.014 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001303303287 1067828567 /nfs/dbraw/zinc/82/85/67/1067828567.db2.gz UHJQCNNOVOXYTO-GOSISDBHSA-N 1 0 493.027 3.153 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC001304749002 1067828645 /nfs/dbraw/zinc/82/86/45/1067828645.db2.gz CVQMREVOQQUKRY-QFIPXVFZSA-N 1 0 455.651 3.169 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N(C)Cc3ccc([S@@](C)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001303303451 1067829199 /nfs/dbraw/zinc/82/91/99/1067829199.db2.gz WATKEBCQOXXXHC-JGCGQSQUSA-N 1 0 461.676 3.185 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303445 1067829381 /nfs/dbraw/zinc/82/93/81/1067829381.db2.gz GYSVCMULAHDIBX-QFIPXVFZSA-N 1 0 483.661 3.441 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304749834 1067829541 /nfs/dbraw/zinc/82/95/41/1067829541.db2.gz SNIGKZYMYUTCBY-LJQANCHMSA-N 1 0 483.583 3.464 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303856 1067829621 /nfs/dbraw/zinc/82/96/21/1067829621.db2.gz JUMUAGVASGSELF-RBUKOAKNSA-N 1 0 491.624 3.469 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303303937 1067829767 /nfs/dbraw/zinc/82/97/67/1067829767.db2.gz AYFOWQVXQRLUQY-NHCUHLMSSA-N 1 0 451.681 3.145 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(Br)cs2)CC1 ZINC001303304147 1067830346 /nfs/dbraw/zinc/83/03/46/1067830346.db2.gz DBMJHTLISMEBLJ-UHFFFAOYSA-N 1 0 481.464 3.307 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C1 ZINC001303304119 1067830716 /nfs/dbraw/zinc/83/07/16/1067830716.db2.gz CIHPOUJTKVNTKH-FQEVSTJZSA-N 1 0 455.582 3.450 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001303304113 1067830739 /nfs/dbraw/zinc/83/07/39/1067830739.db2.gz CFPYRRQUSWKWHS-ICSRJNTNSA-N 1 0 496.077 3.254 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001303304115 1067830768 /nfs/dbraw/zinc/83/07/68/1067830768.db2.gz CFPYRRQUSWKWHS-UYAOXDASSA-N 1 0 496.077 3.254 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303304213 1067830793 /nfs/dbraw/zinc/83/07/93/1067830793.db2.gz MBIXZXQRBAJVMS-SFHVURJKSA-N 1 0 481.567 3.289 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001303304510 1067831046 /nfs/dbraw/zinc/83/10/46/1067831046.db2.gz HZHYUPZVJOIHJF-QGZVFWFLSA-N 1 0 496.475 3.063 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001303304415 1067831316 /nfs/dbraw/zinc/83/13/16/1067831316.db2.gz GNNFSVZVQWIMJN-UHFFFAOYSA-N 1 0 486.418 3.103 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001303304520 1067831405 /nfs/dbraw/zinc/83/14/05/1067831405.db2.gz NLWZOOGALUWXHC-WOJBJXKFSA-N 1 0 456.610 3.220 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001303304568 1067831858 /nfs/dbraw/zinc/83/18/58/1067831858.db2.gz OCAFSCBOWSZGFC-QYZOEREBSA-N 1 0 465.639 3.462 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001303305013 1067832031 /nfs/dbraw/zinc/83/20/31/1067832031.db2.gz QJOSEZLBLKAVJF-IFMALSPDSA-N 1 0 460.667 3.035 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001303304938 1067832097 /nfs/dbraw/zinc/83/20/97/1067832097.db2.gz LCNYXFVANHMFCE-FYYLOGMGSA-N 1 0 452.647 3.241 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001303305049 1067832538 /nfs/dbraw/zinc/83/25/38/1067832538.db2.gz QTHKBSKWGVWOLD-AZUAARDMSA-N 1 0 459.038 3.310 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001303304949 1067832942 /nfs/dbraw/zinc/83/29/42/1067832942.db2.gz LIWZSIPZUXAUFH-SFHVURJKSA-N 1 0 475.037 3.333 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[C@H]2C[C@H](F)C2)CC1 ZINC001303308427 1067836380 /nfs/dbraw/zinc/83/63/80/1067836380.db2.gz WOEDZNGUXCIYGI-XUTJKUGGSA-N 1 0 492.665 3.254 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCN2CCOCC2(C)C)n1 ZINC001304754582 1067836422 /nfs/dbraw/zinc/83/64/22/1067836422.db2.gz JZMHQWKJSOIDNP-GOSISDBHSA-N 1 0 469.556 3.029 20 0 JGADRO 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3.373 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001304928890 1067976996 /nfs/dbraw/zinc/97/69/96/1067976996.db2.gz RGSBFRCBSQREMJ-VSKRKVRLSA-N 1 0 496.766 3.343 20 0 JGADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001304928947 1067977023 /nfs/dbraw/zinc/97/70/23/1067977023.db2.gz SFJNQIVJYSUTDW-YUMYIRISSA-N 1 0 460.667 3.239 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CSCCS2)CC1 ZINC001303462668 1067981875 /nfs/dbraw/zinc/98/18/75/1067981875.db2.gz HRMRSHKFADAGKR-UGKGYDQZSA-N 1 0 469.721 3.134 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001303462787 1067982318 /nfs/dbraw/zinc/98/23/18/1067982318.db2.gz JXYPOEPJHZLLMS-KBMIEXCESA-N 1 0 494.681 3.199 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001303462813 1067982335 /nfs/dbraw/zinc/98/23/35/1067982335.db2.gz KLHVTUTXSSQSNN-UHFFFAOYSA-N 1 0 477.613 3.168 20 0 JGADRO C[C@@H]1C[C@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC001304933490 1067982367 /nfs/dbraw/zinc/98/23/67/1067982367.db2.gz SQMKLSODUAZKEX-WOJBJXKFSA-N 1 0 489.686 3.474 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001303463724 1067983020 /nfs/dbraw/zinc/98/30/20/1067983020.db2.gz XFHYRGKEMYPVTI-IBGZPJMESA-N 1 0 475.609 3.456 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC001303464887 1067983902 /nfs/dbraw/zinc/98/39/02/1067983902.db2.gz BFQJPVDPNMBIFH-UHFFFAOYSA-N 1 0 473.666 3.088 20 0 JGADRO C[C@@H]1CC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001304936058 1067984779 /nfs/dbraw/zinc/98/47/79/1067984779.db2.gz UEXQIWWNJWRBAY-RTBURBONSA-N 1 0 489.686 3.473 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN(C)c2ccccc2)CC1 ZINC001303465798 1067985128 /nfs/dbraw/zinc/98/51/28/1067985128.db2.gz TVGWCXVNMKHVTR-OAQYLSRUSA-N 1 0 488.702 3.064 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001303465934 1067985195 /nfs/dbraw/zinc/98/51/95/1067985195.db2.gz VYMPCACRDJDECA-SFHVURJKSA-N 1 0 466.508 3.143 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001303466608 1067985589 /nfs/dbraw/zinc/98/55/89/1067985589.db2.gz SJAYREVEYPDQEY-UHFFFAOYSA-N 1 0 454.619 3.203 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCNC(=O)C(C)C)CC1 ZINC001303466551 1067985618 /nfs/dbraw/zinc/98/56/18/1067985618.db2.gz RNESAGLXWWDXKR-UHFFFAOYSA-N 1 0 465.646 3.479 20 0 JGADRO CC(C)NS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001303467560 1067986025 /nfs/dbraw/zinc/98/60/25/1067986025.db2.gz AKVHYMSQACXQKP-UHFFFAOYSA-N 1 0 495.093 3.381 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001303467874 1067986985 /nfs/dbraw/zinc/98/69/85/1067986985.db2.gz LRGIWRDDQBTGPE-GOSISDBHSA-N 1 0 450.628 3.400 20 0 JGADRO 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CC(C)OC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001303530274 1068058724 /nfs/dbraw/zinc/05/87/24/1068058724.db2.gz AOURDDVJUPVMRZ-JOCHJYFZSA-N 1 0 478.037 3.341 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001305015838 1068058806 /nfs/dbraw/zinc/05/88/06/1068058806.db2.gz FZCJINCMUCHWCJ-PMACEKPBSA-N 1 0 499.685 3.469 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CCCc2ccccn2)C1 ZINC001305016704 1068059750 /nfs/dbraw/zinc/05/97/50/1068059750.db2.gz ATUAKKGPPLTYEQ-NRFANRHFSA-N 1 0 467.662 3.489 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305016651 1068059829 /nfs/dbraw/zinc/05/98/29/1068059829.db2.gz IHYZSOMUHGASAC-FYYLOGMGSA-N 1 0 473.687 3.341 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001305016888 1068060587 /nfs/dbraw/zinc/06/05/87/1068060587.db2.gz JXKANNFCYRRLBK-QHCPKHFHSA-N 1 0 487.737 3.266 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c(CC2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001305017255 1068061058 /nfs/dbraw/zinc/06/10/58/1068061058.db2.gz CORFMQGEEKSYPI-JTHBVZDNSA-N 1 0 494.750 3.383 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)nnc2C(C)(C)C)CC1 ZINC001305017698 1068061284 /nfs/dbraw/zinc/06/12/84/1068061284.db2.gz DZIQHDCQWHKBSJ-NRFANRHFSA-N 1 0 488.721 3.286 20 0 JGADRO CC(C)OC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC001303531957 1068061332 /nfs/dbraw/zinc/06/13/32/1068061332.db2.gz UVPIBOZXKZWJCP-BJKOFHAPSA-N 1 0 485.673 3.497 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001305018199 1068062240 /nfs/dbraw/zinc/06/22/40/1068062240.db2.gz HKVFCQRMZYDLAC-LEWJYISDSA-N 1 0 489.709 3.313 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001303532266 1068062242 /nfs/dbraw/zinc/06/22/42/1068062242.db2.gz YIZJJDWZJKQHBI-ICSRJNTNSA-N 1 0 495.466 3.017 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c(Cc2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001305018180 1068062370 /nfs/dbraw/zinc/06/23/70/1068062370.db2.gz STQMUUBQQODIPJ-SFHVURJKSA-N 1 0 466.552 3.422 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001303534440 1068063338 /nfs/dbraw/zinc/06/33/38/1068063338.db2.gz MWIPLAMXBAJBDI-UGKGYDQZSA-N 1 0 488.036 3.265 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001305018565 1068063651 /nfs/dbraw/zinc/06/36/51/1068063651.db2.gz TWKZVBIWWUIUIA-QFIPXVFZSA-N 1 0 471.694 3.343 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC[N@H+](C)C2CCCCC2)CCO1 ZINC001303535909 1068064413 /nfs/dbraw/zinc/06/44/13/1068064413.db2.gz GWYUXXXOYCOCDA-QHCPKHFHSA-N 1 0 456.635 3.159 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 ZINC001305019756 1068065920 /nfs/dbraw/zinc/06/59/20/1068065920.db2.gz RUXAGDIWEHZEHG-IBGZPJMESA-N 1 0 483.642 3.040 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305019923 1068066813 /nfs/dbraw/zinc/06/68/13/1068066813.db2.gz OMZKTYRFWSSIBP-BWKNWUBXSA-N 1 0 473.666 3.162 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305019924 1068067042 /nfs/dbraw/zinc/06/70/42/1068067042.db2.gz OMZKTYRFWSSIBP-OFVILXPXSA-N 1 0 473.666 3.162 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001303538795 1068067920 /nfs/dbraw/zinc/06/79/20/1068067920.db2.gz JSHFKRZHIFRUDA-XLIONFOSSA-N 1 0 451.999 3.091 20 0 JGADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305020575 1068068382 /nfs/dbraw/zinc/06/83/82/1068068382.db2.gz CHCOOZQHEHWQPY-MJGOQNOKSA-N 1 0 493.578 3.355 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001303539290 1068068806 /nfs/dbraw/zinc/06/88/06/1068068806.db2.gz QDKOQSDAEFXTAE-YADARESESA-N 1 0 493.649 3.064 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305021297 1068069557 /nfs/dbraw/zinc/06/95/57/1068069557.db2.gz ULFKOYFEDAPCEY-RBUKOAKNSA-N 1 0 453.697 3.391 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305021597 1068069838 /nfs/dbraw/zinc/06/98/38/1068069838.db2.gz YEXWEWDKOPWERB-FXAWDEMLSA-N 1 0 497.612 3.434 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305021599 1068070000 /nfs/dbraw/zinc/07/00/00/1068070000.db2.gz YEXWEWDKOPWERB-XLIONFOSSA-N 1 0 497.612 3.434 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001305021131 1068070088 /nfs/dbraw/zinc/07/00/88/1068070088.db2.gz WSHPNNGNUNFSES-PZJWPPBQSA-N 1 0 475.659 3.228 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCN2CCOCC2)C1 ZINC001305021373 1068070443 /nfs/dbraw/zinc/07/04/43/1068070443.db2.gz VNSBKHQHSROOLW-NRFANRHFSA-N 1 0 472.653 3.287 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305021298 1068070552 /nfs/dbraw/zinc/07/05/52/1068070552.db2.gz ULFKOYFEDAPCEY-RTBURBONSA-N 1 0 453.697 3.391 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001305021644 1068071530 /nfs/dbraw/zinc/07/15/30/1068071530.db2.gz YTTLJKANWQKAAP-RTBURBONSA-N 1 0 474.600 3.469 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305021893 1068072282 /nfs/dbraw/zinc/07/22/82/1068072282.db2.gz INSIRNHFWYDNAE-QZTJIDSGSA-N 1 0 460.648 3.093 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(F)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305021976 1068072697 /nfs/dbraw/zinc/07/26/97/1068072697.db2.gz IZGBHOXQXLNARU-ROUUACIJSA-N 1 0 480.654 3.174 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305022035 1068072752 /nfs/dbraw/zinc/07/27/52/1068072752.db2.gz WSSJRNMOPQRYCI-PLACYPQZSA-N 1 0 460.667 3.163 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022135 1068072830 /nfs/dbraw/zinc/07/28/30/1068072830.db2.gz JTDOAHNSCORYMB-QUCCMNQESA-N 1 0 470.666 3.174 20 0 JGADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022297 1068072963 /nfs/dbraw/zinc/07/29/63/1068072963.db2.gz AUSVKUHRFCVCCZ-CEXWTWQISA-N 1 0 455.607 3.050 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305022038 1068072990 /nfs/dbraw/zinc/07/29/90/1068072990.db2.gz WSSJRNMOPQRYCI-UWHLTILDSA-N 1 0 460.667 3.163 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305022041 1068073016 /nfs/dbraw/zinc/07/30/16/1068073016.db2.gz WSSJRNMOPQRYCI-XRXFAXGQSA-N 1 0 460.667 3.163 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCOCC1 ZINC001305022394 1068073403 /nfs/dbraw/zinc/07/34/03/1068073403.db2.gz YSOUVCGBFBUJIC-SLFFLAALSA-N 1 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459.616 3.293 20 0 JGADRO CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001303549862 1068076469 /nfs/dbraw/zinc/07/64/69/1068076469.db2.gz HWAJXKWFMMFOCA-UNMCSNQZSA-N 1 0 454.619 3.145 20 0 JGADRO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCS(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023407 1068076551 /nfs/dbraw/zinc/07/65/51/1068076551.db2.gz HJFXWDRAAQUVGX-MSOLQXFVSA-N 1 0 459.616 3.293 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305023742 1068077380 /nfs/dbraw/zinc/07/73/80/1068077380.db2.gz IWOVXKXSUFJGPL-VQTJNVASSA-N 1 0 454.619 3.190 20 0 JGADRO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023620 1068077674 /nfs/dbraw/zinc/07/76/74/1068077674.db2.gz CGTSAQBEGSUYID-HSALFYBXSA-N 1 0 462.639 3.307 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305024539 1068078600 /nfs/dbraw/zinc/07/86/00/1068078600.db2.gz GYACATFJGVSSFO-LEWJYISDSA-N 1 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CC(C)O[C@@]1(c2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305027991 1068084249 /nfs/dbraw/zinc/08/42/49/1068084249.db2.gz BWFJNOHXBHMMDD-SWYRRKHMSA-N 1 0 493.693 3.274 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001305028294 1068084592 /nfs/dbraw/zinc/08/45/92/1068084592.db2.gz YCBHWTVMQLEUAT-FCHUYYIVSA-N 1 0 467.662 3.079 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028139 1068084639 /nfs/dbraw/zinc/08/46/39/1068084639.db2.gz XQDPCSFCKZGKHX-AOIWGVFYSA-N 1 0 491.624 3.469 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001305028386 1068085274 /nfs/dbraw/zinc/08/52/74/1068085274.db2.gz FJHDSBMXURQXLR-JOCHJYFZSA-N 1 0 467.662 3.255 20 0 JGADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028627 1068085705 /nfs/dbraw/zinc/08/57/05/1068085705.db2.gz HZGBFICOXXFHKE-FSSWDIPSSA-N 1 0 452.647 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CC1CC[NH+](CCCn2c(-c3ccccc3Cl)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001305106226 1068174121 /nfs/dbraw/zinc/17/41/21/1068174121.db2.gz RPUOKINKZDRXLW-UHFFFAOYSA-N 1 0 454.040 3.201 20 0 JGADRO CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001305106016 1068174167 /nfs/dbraw/zinc/17/41/67/1068174167.db2.gz GGXGZYVCGGSJAC-XZOQPEGZSA-N 1 0 474.694 3.283 20 0 JGADRO CC1CC[NH+](CCn2c(-c3cccnc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305106536 1068174735 /nfs/dbraw/zinc/17/47/35/1068174735.db2.gz FVOOUYGONCCCRL-FQEVSTJZSA-N 1 0 455.607 3.175 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001305106998 1068175798 /nfs/dbraw/zinc/17/57/98/1068175798.db2.gz MAGGGHTYHYZHCM-ASPBEGMCSA-N 1 0 474.675 3.083 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001305107824 1068176838 /nfs/dbraw/zinc/17/68/38/1068176838.db2.gz RQUCCGVTUHQTTK-UHFFFAOYSA-N 1 0 476.069 3.272 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001305108034 1068177337 /nfs/dbraw/zinc/17/73/37/1068177337.db2.gz QYZAVHGOWYJTNJ-SFTDATJTSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303648826 1068177982 /nfs/dbraw/zinc/17/79/82/1068177982.db2.gz LLGBKAUKKZLKHY-LJQANCHMSA-N 1 0 464.618 3.095 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccc(Br)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001305108747 1068178041 /nfs/dbraw/zinc/17/80/41/1068178041.db2.gz ZHFFFKYMJQZYQY-KRWDZBQOSA-N 1 0 475.435 3.106 20 0 JGADRO CC(C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001305109685 1068180041 /nfs/dbraw/zinc/18/00/41/1068180041.db2.gz SNJRPDMKSPIYOG-YADHBBJMSA-N 1 0 460.667 3.035 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CCOC[C@H]1C ZINC001305110513 1068181293 /nfs/dbraw/zinc/18/12/93/1068181293.db2.gz YZJOGSRDJBHRNF-BHIFYINESA-N 1 0 460.667 3.037 20 0 JGADRO CC1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC001305110783 1068181784 /nfs/dbraw/zinc/18/17/84/1068181784.db2.gz ONMBCLIJCBSIIZ-UHFFFAOYSA-N 1 0 459.683 3.327 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1CCOC[C@H]1C ZINC001305110516 1068181805 /nfs/dbraw/zinc/18/18/05/1068181805.db2.gz YZJOGSRDJBHRNF-FSSWDIPSSA-N 1 0 460.667 3.037 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1([NH+](C)C)CCC1 ZINC001303653080 1068183921 /nfs/dbraw/zinc/18/39/21/1068183921.db2.gz MMDFWERXSUGKFS-SFHVURJKSA-N 1 0 456.635 3.339 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC001305111707 1068183987 /nfs/dbraw/zinc/18/39/87/1068183987.db2.gz FPWYGLXIIPSLNS-MQSCRBSSSA-N 1 0 482.673 3.043 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3CCN(c4ncccc4F)CC3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305111651 1068184120 /nfs/dbraw/zinc/18/41/20/1068184120.db2.gz FCBJNVYGHXCAKQ-RTBURBONSA-N 1 0 473.641 3.324 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CCCO)CC2)C[C@@H](C)O1 ZINC001305111731 1068184156 /nfs/dbraw/zinc/18/41/56/1068184156.db2.gz FYIYNUYQVIXMMM-SJBKTWHCSA-N 1 0 463.667 3.396 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)CCCc2ccccc2)C[C@H](C)O1 ZINC001305112064 1068185241 /nfs/dbraw/zinc/18/52/41/1068185241.db2.gz JCJWDRHNQKFQEL-SZPZYZBQSA-N 1 0 482.673 3.357 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305112160 1068185298 /nfs/dbraw/zinc/18/52/98/1068185298.db2.gz JMAGCKNFZHFOIZ-VWPQPMDRSA-N 1 0 456.635 3.013 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@H](C)O1 ZINC001305112049 1068185312 /nfs/dbraw/zinc/18/53/12/1068185312.db2.gz DUPHNWIMBMJWOD-OKZBNKHCSA-N 1 0 475.037 3.153 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3C[C@H](C)O[C@]4(CCCOC4)C3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305112161 1068185390 /nfs/dbraw/zinc/18/53/90/1068185390.db2.gz JNUQXYBRYJQCTL-MVOHMCPASA-N 1 0 463.667 3.238 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C[C@H](C)O1 ZINC001305112045 1068185401 /nfs/dbraw/zinc/18/54/01/1068185401.db2.gz DUPHNWIMBMJWOD-KURKYZTESA-N 1 0 475.037 3.153 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)CCCc2ccccc2)C[C@H](C)O1 ZINC001305112065 1068185412 /nfs/dbraw/zinc/18/54/12/1068185412.db2.gz JCJWDRHNQKFQEL-VXKWHMMOSA-N 1 0 482.673 3.357 20 0 JGADRO CC(C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305112449 1068186623 /nfs/dbraw/zinc/18/66/23/1068186623.db2.gz HTCBJVZZXBLICD-KDURUIRLSA-N 1 0 461.680 3.068 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC001305112412 1068186720 /nfs/dbraw/zinc/18/67/20/1068186720.db2.gz LRXOJWHVGOCYHQ-ROUUACIJSA-N 1 0 490.599 3.203 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001303654440 1068186723 /nfs/dbraw/zinc/18/67/23/1068186723.db2.gz VINWVWXSLYEYQU-URXFXBBRSA-N 1 0 475.641 3.266 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CC(C)(C)OC(C)(C)C2)C[C@H](C)O1 ZINC001305112731 1068187940 /nfs/dbraw/zinc/18/79/40/1068187940.db2.gz OZWOVQBXQYYRBF-ZCNNSNEGSA-N 1 0 463.667 3.454 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C[C@@H](C)O1 ZINC001305113813 1068190485 /nfs/dbraw/zinc/19/04/85/1068190485.db2.gz QMQSHNJQDCFULD-NJYVYQBISA-N 1 0 497.688 3.359 20 0 JGADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303659279 1068191590 /nfs/dbraw/zinc/19/15/90/1068191590.db2.gz OFBIJKFMTFMNHR-AVRDEDQJSA-N 1 0 454.619 3.017 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(F)(F)F ZINC001305114360 1068191729 /nfs/dbraw/zinc/19/17/29/1068191729.db2.gz RRAOAXFJZNIPMM-QRVBRYPASA-N 1 0 495.594 3.301 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccc2F)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305114447 1068192355 /nfs/dbraw/zinc/19/23/55/1068192355.db2.gz YAMJAZXEJQBGKB-WOJBJXKFSA-N 1 0 488.652 3.104 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccc2F)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305114446 1068192496 /nfs/dbraw/zinc/19/24/96/1068192496.db2.gz YAMJAZXEJQBGKB-PMACEKPBSA-N 1 0 488.652 3.104 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC(C)(C)c1ccc(F)cc1F ZINC001303661898 1068192920 /nfs/dbraw/zinc/19/29/20/1068192920.db2.gz KLJLSKMTTCNNOO-UHFFFAOYSA-N 1 0 453.555 3.168 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305115128 1068193298 /nfs/dbraw/zinc/19/32/98/1068193298.db2.gz WSAQHMWYGXERBB-OTWHNJEPSA-N 1 0 464.655 3.393 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CCCCCO)C[C@H](C)O1 ZINC001305115392 1068194024 /nfs/dbraw/zinc/19/40/24/1068194024.db2.gz XXVGNTOXGRACRI-BGYRXZFFSA-N 1 0 487.645 3.203 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CCCCCO)C[C@@H](C)O1 ZINC001305115394 1068194055 /nfs/dbraw/zinc/19/40/55/1068194055.db2.gz XXVGNTOXGRACRI-WOJBJXKFSA-N 1 0 487.645 3.203 20 0 JGADRO C[C@H](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCCC1 ZINC001303664138 1068196148 /nfs/dbraw/zinc/19/61/48/1068196148.db2.gz IWPCUCRCNOGHCG-LJQANCHMSA-N 1 0 472.659 3.182 20 0 JGADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC001303663914 1068196219 /nfs/dbraw/zinc/19/62/19/1068196219.db2.gz QCLIKZWSDVBIRS-URVUXULASA-N 1 0 474.675 3.147 20 0 JGADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303664348 1068196705 /nfs/dbraw/zinc/19/67/05/1068196705.db2.gz UNNZVFBUIVXZQU-FPGHNAPASA-N 1 0 459.660 3.382 20 0 JGADRO C[C@H](CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC001303665482 1068198941 /nfs/dbraw/zinc/19/89/41/1068198941.db2.gz UKRKVICXNWOZGQ-UXHICEINSA-N 1 0 484.649 3.445 20 0 JGADRO C[C@@H](CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC001303665481 1068198950 /nfs/dbraw/zinc/19/89/50/1068198950.db2.gz UKRKVICXNWOZGQ-PMACEKPBSA-N 1 0 484.649 3.445 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)c2ccccc2)CC1 ZINC001303665854 1068199372 /nfs/dbraw/zinc/19/93/72/1068199372.db2.gz APJMUYXSNXDRDI-RBBKRZOGSA-N 1 0 459.660 3.295 20 0 JGADRO C[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)OC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC001303666738 1068200484 /nfs/dbraw/zinc/20/04/84/1068200484.db2.gz LPHAGLZFORNGNR-SFTDATJTSA-N 1 0 468.646 3.315 20 0 JGADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CC(=O)N(C)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC001303666660 1068200491 /nfs/dbraw/zinc/20/04/91/1068200491.db2.gz DWCOMSWFPKXGLZ-RZUBCFFCSA-N 1 0 454.619 3.097 20 0 JGADRO C[C@H](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCCCC1 ZINC001303666747 1068200915 /nfs/dbraw/zinc/20/09/15/1068200915.db2.gz LQWFGHSRABDSET-MOPGFXCFSA-N 1 0 475.037 3.442 20 0 JGADRO C[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCCCC1 ZINC001303666905 1068201394 /nfs/dbraw/zinc/20/13/94/1068201394.db2.gz ZVOSBZIKWLTHEU-ROUUACIJSA-N 1 0 468.572 3.016 20 0 JGADRO C[C@@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCCCC1 ZINC001303667074 1068201398 /nfs/dbraw/zinc/20/13/98/1068201398.db2.gz FVTXCZJQAXXCGV-VQTJNVASSA-N 1 0 493.649 3.099 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303666906 1068201548 /nfs/dbraw/zinc/20/15/48/1068201548.db2.gz ZVOSBZIKWLTHEU-ZWKOTPCHSA-N 1 0 468.572 3.016 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cc(F)ccc2Br)n1CC1([NH+](C)C)CCCC1 ZINC001305120863 1068203115 /nfs/dbraw/zinc/20/31/15/1068203115.db2.gz XSCUOKNRQPCNDM-OAHLLOKOSA-N 1 0 493.425 3.388 20 0 JGADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)Cc2ccccc2)CC(C)(C)O1 ZINC001305121197 1068203508 /nfs/dbraw/zinc/20/35/08/1068203508.db2.gz OFJRVDBFNUUWRH-FQEVSTJZSA-N 1 0 454.619 3.040 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001305121781 1068204608 /nfs/dbraw/zinc/20/46/08/1068204608.db2.gz JIVYCOAQVFTXGY-ICSRJNTNSA-N 1 0 475.037 3.207 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001303672258 1068207545 /nfs/dbraw/zinc/20/75/45/1068207545.db2.gz PKGDRNNFQGWXBR-VQTJNVASSA-N 1 0 464.655 3.206 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001303672230 1068207570 /nfs/dbraw/zinc/20/75/70/1068207570.db2.gz OXCOUZZRSZSURK-PMACEKPBSA-N 1 0 484.649 3.303 20 0 JGADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC001305123492 1068207840 /nfs/dbraw/zinc/20/78/40/1068207840.db2.gz FUIGFWWQQRVUGJ-IBGZPJMESA-N 1 0 495.653 3.050 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001303672569 1068208515 /nfs/dbraw/zinc/20/85/15/1068208515.db2.gz TUFJIEYOZZABKM-TZIWHRDSSA-N 1 0 486.665 3.246 20 0 JGADRO C[C@@H](CN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1)c1nccs1 ZINC001303672887 1068208930 /nfs/dbraw/zinc/20/89/30/1068208930.db2.gz FQIQMYKNWSZOEP-YCRPNKLZSA-N 1 0 491.459 3.471 20 0 JGADRO C[C@H]1OCC[C@@]12CN(c1nnc(C(C)(C)C)n1Cc1cccc(OCC[NH+](C)C)c1)C[C@@H](C)O2 ZINC001305127237 1068213454 /nfs/dbraw/zinc/21/34/54/1068213454.db2.gz JEVJBZINTJHSNN-XMERXJNXSA-N 1 0 471.646 3.337 20 0 JGADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1N1CCOCC1 ZINC001305127274 1068213499 /nfs/dbraw/zinc/21/34/99/1068213499.db2.gz KWTVBIPDPHPOLT-JTHBVZDNSA-N 1 0 454.663 3.255 20 0 JGADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC001305127270 1068213598 /nfs/dbraw/zinc/21/35/98/1068213598.db2.gz KWTVBIPDPHPOLT-GGAORHGYSA-N 1 0 454.663 3.255 20 0 JGADRO C[C@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1([NH+](C)C)CCSC1)c1nccs1 ZINC001303676535 1068215451 /nfs/dbraw/zinc/21/54/51/1068215451.db2.gz ZBAKUKHPXCGPOV-OPAMFIHVSA-N 1 0 486.671 3.059 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001305131132 1068215948 /nfs/dbraw/zinc/21/59/48/1068215948.db2.gz AGFSHIBJGUICSF-MSOLQXFVSA-N 1 0 454.685 3.025 20 0 JGADRO C[C@H](CN(C)c1nnc([C@@H]2CCCOC2)n1CC1CC[NH+](CCN(C)C)CC1)c1nccs1 ZINC001303682764 1068219487 /nfs/dbraw/zinc/21/94/87/1068219487.db2.gz GBZJRKBEHIMGOK-TZIWHRDSSA-N 1 0 475.707 3.142 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)(C)C)CC1)Oc1ccc(F)cc1 ZINC001303683949 1068221317 /nfs/dbraw/zinc/22/13/17/1068221317.db2.gz HLPRTIRWQTXHEX-GOSISDBHSA-N 1 0 481.576 3.453 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1)[NH+](C)C ZINC001303685257 1068223548 /nfs/dbraw/zinc/22/35/48/1068223548.db2.gz PCSQMNOITOEFSO-QZTJIDSGSA-N 1 0 498.582 3.037 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001305136834 1068226833 /nfs/dbraw/zinc/22/68/33/1068226833.db2.gz QWJVWLUOAVGMAN-ABSDTBQOSA-N 1 0 480.654 3.203 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001305136839 1068227077 /nfs/dbraw/zinc/22/70/77/1068227077.db2.gz QWJVWLUOAVGMAN-SQGPQFPESA-N 1 0 480.654 3.203 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCOCC[NH+](C)C)CCS1 ZINC001305137161 1068227751 /nfs/dbraw/zinc/22/77/51/1068227751.db2.gz MUWPDBQGFXIUMM-CQSZACIVSA-N 1 0 472.428 3.367 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001305137322 1068228207 /nfs/dbraw/zinc/22/82/07/1068228207.db2.gz LTGHQEQFWLHKFJ-IMWIBFENSA-N 1 0 461.582 3.282 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(C1)CCCOC2)[NH+](C)C ZINC001303691756 1068231470 /nfs/dbraw/zinc/23/14/70/1068231470.db2.gz IUMJMROCTZQZGC-FOIQADDNSA-N 1 0 451.413 3.003 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[N@H+](C)C1CC1 ZINC001303691623 1068231560 /nfs/dbraw/zinc/23/15/60/1068231560.db2.gz GIQKGYFUHMTDSN-QZTJIDSGSA-N 1 0 495.093 3.189 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[N@H+](C)C1CC1 ZINC001303691622 1068231719 /nfs/dbraw/zinc/23/17/19/1068231719.db2.gz GIQKGYFUHMTDSN-MSOLQXFVSA-N 1 0 495.093 3.189 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](O)(c2ccccc2F)C1)[NH+](C)C ZINC001303691777 1068232227 /nfs/dbraw/zinc/23/22/27/1068232227.db2.gz JDVAZAHYJSQLDE-QKKBWIMNSA-N 1 0 477.382 3.223 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC001303692101 1068232605 /nfs/dbraw/zinc/23/26/05/1068232605.db2.gz PJTHGTCVKPHAFT-MRXNPFEDSA-N 1 0 490.425 3.462 20 0 JGADRO C[C@@H](Cc1cccs1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001305139192 1068232865 /nfs/dbraw/zinc/23/28/65/1068232865.db2.gz WEKOMKVKICQAMP-FHWLQOOXSA-N 1 0 494.731 3.139 20 0 JGADRO C[C@@H](Cn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303692268 1068233382 /nfs/dbraw/zinc/23/33/82/1068233382.db2.gz UAYUORPECXQEFD-KBPBESRZSA-N 1 0 468.048 3.387 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C1CCC2(CC1)OCCO2)[NH+](C)C ZINC001303692217 1068233420 /nfs/dbraw/zinc/23/34/20/1068233420.db2.gz SFZJFJZWDGLCFV-OAHLLOKOSA-N 1 0 481.439 3.118 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001303692583 1068235136 /nfs/dbraw/zinc/23/51/36/1068235136.db2.gz ZOEXEGXLRYZMPU-QGZVFWFLSA-N 1 0 489.462 3.497 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)c2nccs2)CC1 ZINC001303694064 1068236461 /nfs/dbraw/zinc/23/64/61/1068236461.db2.gz DHIAEXMOKNEGHH-KRWDZBQOSA-N 1 0 474.656 3.139 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@H](C2CC2)[NH+](C)C)CC(=O)N1C ZINC001305141854 1068237998 /nfs/dbraw/zinc/23/79/98/1068237998.db2.gz JNSKYMYQNCPBLO-ACJLOTCBSA-N 1 0 495.853 3.368 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(-c2ccccc2)n1)[NH+](C)C ZINC001303695408 1068238495 /nfs/dbraw/zinc/23/84/95/1068238495.db2.gz UBVUXDKZFCBVPE-INIZCTEOSA-N 1 0 451.966 3.161 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001303695690 1068238874 /nfs/dbraw/zinc/23/88/74/1068238874.db2.gz VQHITDUEVRAKOU-DLBZAZTESA-N 1 0 462.042 3.322 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC[N@@H+]2CCCO)CCCO1 ZINC001305142092 1068238964 /nfs/dbraw/zinc/23/89/64/1068238964.db2.gz GXJLGXQEHDLZIB-HZPDHXFCSA-N 1 0 484.464 3.231 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1)[N@H+](C)C1CC1 ZINC001303695732 1068239051 /nfs/dbraw/zinc/23/90/51/1068239051.db2.gz JODHAMGCYXGRKX-QWHCGFSZSA-N 1 0 481.826 3.155 20 0 JGADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+](C)C ZINC001303696080 1068239521 /nfs/dbraw/zinc/23/95/21/1068239521.db2.gz YVNKYOYKFSNKLT-GOSISDBHSA-N 1 0 476.691 3.053 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303696212 1068239686 /nfs/dbraw/zinc/23/96/86/1068239686.db2.gz MSTALUPFWBSDPG-UONOGXRCSA-N 1 0 481.464 3.214 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(F)F)CC1)[NH+](C)C ZINC001303696473 1068239748 /nfs/dbraw/zinc/23/97/48/1068239748.db2.gz QAABKSCPFSRHFT-LBPRGKRZSA-N 1 0 463.396 3.106 20 0 JGADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303698694 1068241482 /nfs/dbraw/zinc/24/14/82/1068241482.db2.gz FGVAZBIBEXUKDS-CABCVRRESA-N 1 0 493.425 3.292 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305144160 1068243943 /nfs/dbraw/zinc/24/39/43/1068243943.db2.gz YRRBCAPDGOPSOX-YVHKJVDXSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001303700659 1068243995 /nfs/dbraw/zinc/24/39/95/1068243995.db2.gz RPTFWHPWGZOLRS-LJQANCHMSA-N 1 0 453.635 3.496 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1)[NH+](C)C ZINC001303702699 1068246255 /nfs/dbraw/zinc/24/62/55/1068246255.db2.gz BPARPQOLYBBWMU-GOSISDBHSA-N 1 0 470.021 3.240 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1)[NH+](C)C ZINC001303702700 1068246454 /nfs/dbraw/zinc/24/64/54/1068246454.db2.gz BPARPQOLYBBWMU-SFHVURJKSA-N 1 0 470.021 3.240 20 0 JGADRO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303702883 1068246993 /nfs/dbraw/zinc/24/69/93/1068246993.db2.gz GKURIAQUGRMBFB-FXAWDEMLSA-N 1 0 455.607 3.268 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC001305145817 1068246994 /nfs/dbraw/zinc/24/69/94/1068246994.db2.gz JFOVLLYTARXENR-LZJOCLMNSA-N 1 0 493.027 3.294 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303703398 1068247734 /nfs/dbraw/zinc/24/77/34/1068247734.db2.gz PFCSZZVIYCRDFQ-OALUTQOASA-N 1 0 455.651 3.145 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)C(C)C ZINC001305146704 1068248072 /nfs/dbraw/zinc/24/80/72/1068248072.db2.gz PMVDYHCFFLXVPT-FPOVZHCZSA-N 1 0 476.069 3.269 20 0 JGADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001305146728 1068248117 /nfs/dbraw/zinc/24/81/17/1068248117.db2.gz PPDKBLAAOCIRLW-KRWDZBQOSA-N 1 0 460.026 3.076 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303707947 1068253945 /nfs/dbraw/zinc/25/39/45/1068253945.db2.gz KMIAXCRCXKAVRW-RTBURBONSA-N 1 0 470.622 3.055 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001303708393 1068254640 /nfs/dbraw/zinc/25/46/40/1068254640.db2.gz PDUPFEFRLREVSG-SIKLNZKXSA-N 1 0 494.644 3.303 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)CCN1CC(F)(F)F ZINC001305152696 1068259291 /nfs/dbraw/zinc/25/92/91/1068259291.db2.gz SNKDVBWUJAIZNC-SFHVURJKSA-N 1 0 497.585 3.183 20 0 JGADRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303713849 1068259625 /nfs/dbraw/zinc/25/96/25/1068259625.db2.gz REJDJRZQWWDKNP-WOJBJXKFSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CCC(N)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC001303715170 1068261964 /nfs/dbraw/zinc/26/19/64/1068261964.db2.gz AWBGHHAOTQYUMS-OFNKIYASSA-N 1 0 468.646 3.175 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303715127 1068261988 /nfs/dbraw/zinc/26/19/88/1068261988.db2.gz AJHDUIKGUMEGAJ-VAMGGRTRSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1)[NH+](C)C ZINC001303715699 1068262517 /nfs/dbraw/zinc/26/25/17/1068262517.db2.gz AZAPFSZTSWXIDC-FXAWDEMLSA-N 1 0 461.010 3.086 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303716651 1068264264 /nfs/dbraw/zinc/26/42/64/1068264264.db2.gz GKZQJOJJUGGYBK-IEBWSBKVSA-N 1 0 450.628 3.211 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN(C)CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC001305156695 1068265340 /nfs/dbraw/zinc/26/53/40/1068265340.db2.gz HVMQDLAMWNJCTP-KRWDZBQOSA-N 1 0 451.541 3.145 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303717287 1068265568 /nfs/dbraw/zinc/26/55/68/1068265568.db2.gz LXSRXDYSFHYOOE-QRVBRYPASA-N 1 0 462.639 3.006 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303717286 1068265796 /nfs/dbraw/zinc/26/57/96/1068265796.db2.gz LXSRXDYSFHYOOE-GUDVDZBRSA-N 1 0 462.639 3.006 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCC(F)(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC001303719604 1068268433 /nfs/dbraw/zinc/26/84/33/1068268433.db2.gz YOOPALHIVNHJEV-RBUKOAKNSA-N 1 0 466.552 3.381 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001305159914 1068268777 /nfs/dbraw/zinc/26/87/77/1068268777.db2.gz GSQJLLBOVCQERK-MOPGFXCFSA-N 1 0 459.639 3.363 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@H]1CCCCO1)[NH+](C)C ZINC001303720229 1068269124 /nfs/dbraw/zinc/26/91/24/1068269124.db2.gz XTAYONGJMLVKJV-VAMGGRTRSA-N 1 0 464.655 3.348 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305162856 1068270994 /nfs/dbraw/zinc/27/09/94/1068270994.db2.gz MOMPTIXDXWVUON-PGRDOPGGSA-N 1 0 494.644 3.138 20 0 JGADRO C[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001303721874 1068271220 /nfs/dbraw/zinc/27/12/20/1068271220.db2.gz IQUKQPHAPPKRQV-RDTXWAMCSA-N 1 0 467.492 3.089 20 0 JGADRO C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccc(F)cc2C1)[NH+](C)C ZINC001303722442 1068271966 /nfs/dbraw/zinc/27/19/66/1068271966.db2.gz AHVNKJMCCBEONQ-UWJYYQICSA-N 1 0 488.608 3.238 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305163970 1068272922 /nfs/dbraw/zinc/27/29/22/1068272922.db2.gz CFOOREBBZFJOGG-IBGZPJMESA-N 1 0 484.649 3.303 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCSC1)[N@H+](C)C1CC1 ZINC001303723209 1068273338 /nfs/dbraw/zinc/27/33/38/1068273338.db2.gz RRWNWUBYZLYRRY-BHIYHBOVSA-N 1 0 480.679 3.011 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCCC[NH+]2CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305164382 1068274167 /nfs/dbraw/zinc/27/41/67/1068274167.db2.gz GODUUEUREYABIY-CTNGQTDRSA-N 1 0 484.649 3.351 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001303725260 1068276726 /nfs/dbraw/zinc/27/67/26/1068276726.db2.gz UDEGDHKCDRKZSP-GUDVDZBRSA-N 1 0 464.655 3.409 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C ZINC001305166664 1068277919 /nfs/dbraw/zinc/27/79/19/1068277919.db2.gz FYMIRYZDQNDDEG-IBGZPJMESA-N 1 0 465.602 3.386 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303726392 1068278671 /nfs/dbraw/zinc/27/86/71/1068278671.db2.gz CHANMQFWDTYQTM-GOSISDBHSA-N 1 0 456.610 3.185 20 0 JGADRO C[C@H]1CN(c2nnc(C3CC3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305167665 1068278927 /nfs/dbraw/zinc/27/89/27/1068278927.db2.gz OYVZJYGETJZVOO-AVRDEDQJSA-N 1 0 484.645 3.494 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303726929 1068279811 /nfs/dbraw/zinc/27/98/11/1068279811.db2.gz CFBPCGFMUXPYOL-GOSISDBHSA-N 1 0 457.623 3.098 20 0 JGADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC001303727629 1068281780 /nfs/dbraw/zinc/28/17/80/1068281780.db2.gz MVIJAVWDZASALC-HXUWFJFHSA-N 1 0 488.702 3.001 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N(CCO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC001303728323 1068282788 /nfs/dbraw/zinc/28/27/88/1068282788.db2.gz MBWURHXDIGTRJL-MRXNPFEDSA-N 1 0 491.409 3.115 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1)[NH+](C)C ZINC001303731363 1068286797 /nfs/dbraw/zinc/28/67/97/1068286797.db2.gz LQUBWMDHCXWPMR-IBGZPJMESA-N 1 0 454.022 3.190 20 0 JGADRO C[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303731667 1068286837 /nfs/dbraw/zinc/28/68/37/1068286837.db2.gz BEGKQKFTIKILCF-CTNGQTDRSA-N 1 0 476.666 3.035 20 0 JGADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1)[NH+](C)C ZINC001303732184 1068288080 /nfs/dbraw/zinc/28/80/80/1068288080.db2.gz SSXTXHRSTRCSGQ-KRWDZBQOSA-N 1 0 452.628 3.409 20 0 JGADRO C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303735024 1068291868 /nfs/dbraw/zinc/29/18/68/1068291868.db2.gz UNHFTPCNIDXAGH-FQEVSTJZSA-N 1 0 452.647 3.241 20 0 JGADRO C[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC001303734899 1068291929 /nfs/dbraw/zinc/29/19/29/1068291929.db2.gz QWOCUIXNUWJKJU-MRXNPFEDSA-N 1 0 450.509 3.125 20 0 JGADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2ccccc2Cl)C1)[NH+](C)C ZINC001303735676 1068292997 /nfs/dbraw/zinc/29/29/97/1068292997.db2.gz GJZZLZAGCBBAOS-APWZRJJASA-N 1 0 489.045 3.451 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001305178781 1068293688 /nfs/dbraw/zinc/29/36/88/1068293688.db2.gz LQZSJRQPDJNYNZ-VQTJNVASSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)s1)[N@H+](C)C1CC1 ZINC001303736670 1068295245 /nfs/dbraw/zinc/29/52/45/1068295245.db2.gz NCKLUMNANNVOPS-CQSZACIVSA-N 1 0 481.464 3.344 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC(C)(C)O1 ZINC001305179479 1068295384 /nfs/dbraw/zinc/29/53/84/1068295384.db2.gz ODSFTXWJDPZSOG-CTNGQTDRSA-N 1 0 457.619 3.165 20 0 JGADRO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC001303737554 1068296320 /nfs/dbraw/zinc/29/63/20/1068296320.db2.gz PHMJPKOCGJOLPX-QRQLOZEOSA-N 1 0 486.617 3.364 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCCO1 ZINC001305180365 1068296322 /nfs/dbraw/zinc/29/63/22/1068296322.db2.gz REEYTBNOICKOMJ-NHCUHLMSSA-N 1 0 494.681 3.372 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCCO1 ZINC001305180364 1068296340 /nfs/dbraw/zinc/29/63/40/1068296340.db2.gz REEYTBNOICKOMJ-LEWJYISDSA-N 1 0 494.681 3.372 20 0 JGADRO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001303738657 1068298258 /nfs/dbraw/zinc/29/82/58/1068298258.db2.gz UTZKARJOUKFXKB-MRXNPFEDSA-N 1 0 451.999 3.296 20 0 JGADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303738985 1068298820 /nfs/dbraw/zinc/29/88/20/1068298820.db2.gz WMFYNHOEUJQGIG-NQIIRXRSSA-N 1 0 477.675 3.118 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[N@H+](C)Cc2ccccc2)CCN1CC(F)(F)F ZINC001305182687 1068299561 /nfs/dbraw/zinc/29/95/61/1068299561.db2.gz LLBPAOWXRMFJEH-CTNGQTDRSA-N 1 0 480.579 3.377 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1COC(C)(C)OC1)[NH+](C)C ZINC001303742748 1068301649 /nfs/dbraw/zinc/30/16/49/1068301649.db2.gz DZKHLNMSLJGTNM-MJGOQNOKSA-N 1 0 480.654 3.136 20 0 JGADRO C[C@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)NCc1ccc(Cl)cc1)[NH+](C)C ZINC001303743048 1068302073 /nfs/dbraw/zinc/30/20/73/1068302073.db2.gz LHMIFJFRLKZELW-DYVFJYSZSA-N 1 0 478.935 3.332 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[NH+](C)C ZINC001303743321 1068302356 /nfs/dbraw/zinc/30/23/56/1068302356.db2.gz NSFVPVXQIFAXHD-DUXKGJEZSA-N 1 0 477.675 3.187 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001305185111 1068303251 /nfs/dbraw/zinc/30/32/51/1068303251.db2.gz YMGIEHQURKYHJE-MOPGFXCFSA-N 1 0 462.639 3.102 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)C[C@@H](C)S1 ZINC001305185450 1068303553 /nfs/dbraw/zinc/30/35/53/1068303553.db2.gz LZLZWCKRXJBRQE-VAMGGRTRSA-N 1 0 494.706 3.403 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)C[NH+]1CCCC1 ZINC001303744223 1068303924 /nfs/dbraw/zinc/30/39/24/1068303924.db2.gz CCBDFVJJIFNGHM-DLBZAZTESA-N 1 0 475.435 3.106 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303744835 1068304855 /nfs/dbraw/zinc/30/48/55/1068304855.db2.gz DTNFXFBYPZJOEL-RBUKOAKNSA-N 1 0 457.623 3.119 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001305186915 1068305424 /nfs/dbraw/zinc/30/54/24/1068305424.db2.gz SDOXMEUGMHEQFI-PMACEKPBSA-N 1 0 492.709 3.451 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001303744970 1068305442 /nfs/dbraw/zinc/30/54/42/1068305442.db2.gz VRCBGYKNKJEANE-JDCWHPJTSA-N 1 0 482.673 3.344 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001303744974 1068305498 /nfs/dbraw/zinc/30/54/98/1068305498.db2.gz VRCBGYKNKJEANE-OMXLDXBASA-N 1 0 482.673 3.344 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(Cc1ccnn1C)C1CC1)[NH+](C)C ZINC001303745502 1068306259 /nfs/dbraw/zinc/30/62/59/1068306259.db2.gz XMKDDXDPOGHXJV-XLIONFOSSA-N 1 0 472.638 3.203 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303746437 1068307531 /nfs/dbraw/zinc/30/75/31/1068307531.db2.gz SXSXWDJUISGTOG-VSKRKVRLSA-N 1 0 474.694 3.283 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C[NH+]1CCCC1 ZINC001303746610 1068307571 /nfs/dbraw/zinc/30/75/71/1068307571.db2.gz MQZQLRZWDLMUSE-SJORKVTESA-N 1 0 482.526 3.321 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)[NH+](C)C ZINC001303746715 1068307751 /nfs/dbraw/zinc/30/77/51/1068307751.db2.gz SRHOHOBTCKUCSS-ATZDWAIDSA-N 1 0 451.518 3.259 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)[NH+](C)C ZINC001303746716 1068307883 /nfs/dbraw/zinc/30/78/83/1068307883.db2.gz SRHOHOBTCKUCSS-IPELMVKDSA-N 1 0 451.518 3.259 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCC1 ZINC001303747007 1068308227 /nfs/dbraw/zinc/30/82/27/1068308227.db2.gz XWKBPNIQILBCKW-HXUWFJFHSA-N 1 0 482.654 3.036 20 0 JGADRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccon1)C[NH+]1CCCC1 ZINC001303746954 1068308246 /nfs/dbraw/zinc/30/82/46/1068308246.db2.gz UJIZNESJLFWVCH-QGZVFWFLSA-N 1 0 471.993 3.218 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001303747239 1068308263 /nfs/dbraw/zinc/30/82/63/1068308263.db2.gz VMJPHPSZTGIOAS-CZTZKLFOSA-N 1 0 460.667 3.128 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC001303747997 1068309057 /nfs/dbraw/zinc/30/90/57/1068309057.db2.gz VNUCBQOBAGEFLV-SFHVURJKSA-N 1 0 495.093 3.191 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303747614 1068309410 /nfs/dbraw/zinc/30/94/10/1068309410.db2.gz ZFCQOHHEUKCQDS-JMJGKCIBSA-N 1 0 482.673 3.419 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303750620 1068310201 /nfs/dbraw/zinc/31/02/01/1068310201.db2.gz DIAONJPBCOWXGX-RBUKOAKNSA-N 1 0 458.582 3.006 20 0 JGADRO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)CC1)C[NH+]1CCCCC1 ZINC001303750618 1068310434 /nfs/dbraw/zinc/31/04/34/1068310434.db2.gz DIAONJPBCOWXGX-MOPGFXCFSA-N 1 0 458.582 3.006 20 0 JGADRO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC001303751017 1068311405 /nfs/dbraw/zinc/31/14/05/1068311405.db2.gz GTPWMWXFEASFME-AQNXPRMDSA-N 1 0 472.609 3.346 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCCC1 ZINC001303751331 1068312038 /nfs/dbraw/zinc/31/20/38/1068312038.db2.gz KCBWUYFYLNFVMV-UXHICEINSA-N 1 0 499.685 3.402 20 0 JGADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)OC(C)(C)C1)C[NH+]1CCCC1 ZINC001303751564 1068312322 /nfs/dbraw/zinc/31/23/22/1068312322.db2.gz LCCJCHQIKOOGGX-QZTJIDSGSA-N 1 0 460.648 3.005 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCSCC2)CCN1CC(F)(F)F ZINC001305190542 1068312376 /nfs/dbraw/zinc/31/23/76/1068312376.db2.gz GDSRHDNZTQSIKN-KRWDZBQOSA-N 1 0 486.583 3.130 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001303752360 1068313272 /nfs/dbraw/zinc/31/32/72/1068313272.db2.gz 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494.463 3.139 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCCCCC2)C[C@H](C(F)(F)F)O1 ZINC001305192078 1068315125 /nfs/dbraw/zinc/31/51/25/1068315125.db2.gz MWJQJOLLFSZORR-IEBWSBKVSA-N 1 0 452.525 3.296 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCn1cccn1)C[NH+]1CCOCC1 ZINC001303753881 1068315868 /nfs/dbraw/zinc/31/58/68/1068315868.db2.gz FIPTWCOFZYSTRL-GOSISDBHSA-N 1 0 488.434 3.009 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1)C[NH+]1CCCCC1 ZINC001303753645 1068316326 /nfs/dbraw/zinc/31/63/26/1068316326.db2.gz NUUFRBWDOHXURT-FQEVSTJZSA-N 1 0 456.635 3.221 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccon1)C[NH+]1CCOCC1 ZINC001303754207 1068316832 /nfs/dbraw/zinc/31/68/32/1068316832.db2.gz GKKAWFZUBLJEOO-CQSZACIVSA-N 1 0 481.420 3.362 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)C2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305193475 1068317175 /nfs/dbraw/zinc/31/71/75/1068317175.db2.gz VHGLQFWGNWVGAQ-LPHOPBHVSA-N 1 0 452.525 3.294 20 0 JGADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001303754535 1068317345 /nfs/dbraw/zinc/31/73/45/1068317345.db2.gz IJTVZKVVKFFTJR-LJQANCHMSA-N 1 0 489.064 3.308 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303754642 1068317805 /nfs/dbraw/zinc/31/78/05/1068317805.db2.gz SRRBSSIWDIBCFN-IRLDBZIGSA-N 1 0 483.661 3.489 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303754770 1068318089 /nfs/dbraw/zinc/31/80/89/1068318089.db2.gz JHZKCZQYMXZRAF-SLSDLSHTSA-N 1 0 463.667 3.302 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)C[NH+]2CCCC2)CCN1CC(F)(F)F ZINC001305194576 1068318908 /nfs/dbraw/zinc/31/89/08/1068318908.db2.gz ANRMVEZEQJGIPX-IBGZPJMESA-N 1 0 479.595 3.459 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC001305194470 1068319066 /nfs/dbraw/zinc/31/90/66/1068319066.db2.gz FXUHPPNOYHNEPE-IBGZPJMESA-N 1 0 452.628 3.194 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303755846 1068319606 /nfs/dbraw/zinc/31/96/06/1068319606.db2.gz ZHJPOZUBFYXFIF-NJYVYQBISA-N 1 0 476.666 3.398 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1)C[NH+]1CCCCC1 ZINC001303756917 1068320273 /nfs/dbraw/zinc/32/02/73/1068320273.db2.gz VDDPWPWSNLYXEJ-UXHICEINSA-N 1 0 462.639 3.309 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001305195796 1068320727 /nfs/dbraw/zinc/32/07/27/1068320727.db2.gz LYRQWTUNPQHVAY-HXUWFJFHSA-N 1 0 469.634 3.195 20 0 JGADRO C[C@@H](Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001303757763 1068320923 /nfs/dbraw/zinc/32/09/23/1068320923.db2.gz ZKWWGKBFYFGAGQ-JOCHJYFZSA-N 1 0 487.737 3.269 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303757798 1068321099 /nfs/dbraw/zinc/32/10/99/1068321099.db2.gz ZNDUFNLTCJVDBI-ZCNNSNEGSA-N 1 0 491.681 3.172 20 0 JGADRO C[C@H](Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C)C[NH+]1CCCCC1 ZINC001303757765 1068321172 /nfs/dbraw/zinc/32/11/72/1068321172.db2.gz ZKWWGKBFYFGAGQ-QFIPXVFZSA-N 1 0 487.737 3.269 20 0 JGADRO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303758753 1068322593 /nfs/dbraw/zinc/32/25/93/1068322593.db2.gz HDOQSHDBLMGKRN-TZIWHRDSSA-N 1 0 476.666 3.350 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001303758691 1068322625 /nfs/dbraw/zinc/32/26/25/1068322625.db2.gz FWJSTAQGXWCHRP-HXUWFJFHSA-N 1 0 489.064 3.262 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC001303759182 1068323644 /nfs/dbraw/zinc/32/36/44/1068323644.db2.gz PDUPDSPAVVGWLM-KRWDZBQOSA-N 1 0 486.418 3.102 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2cccc(C[NH+](C)C)c2)CCN1CC(F)(F)F ZINC001305198469 1068323769 /nfs/dbraw/zinc/32/37/69/1068323769.db2.gz YINXFLPMPKUNHP-IBGZPJMESA-N 1 0 487.574 3.447 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN(C)CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC001305198664 1068323836 /nfs/dbraw/zinc/32/38/36/1068323836.db2.gz SFAXZIHHSWKSBF-SFHVURJKSA-N 1 0 465.568 3.069 20 0 JGADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)C[NH+]1CCOCC1 ZINC001303759498 1068324694 /nfs/dbraw/zinc/32/46/94/1068324694.db2.gz RWQWIXJSYUJMNZ-MRXNPFEDSA-N 1 0 473.647 3.182 20 0 JGADRO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCCC[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC001305202842 1068326765 /nfs/dbraw/zinc/32/67/65/1068326765.db2.gz CMBZQQCVIGRAOO-PZJWPPBQSA-N 1 0 497.562 3.168 20 0 JGADRO C[C@@H](Cn1c(N2CCC([C@@](C)(O)C(F)(F)F)CC2)nnc1C(C)(C)C)C[NH+]1CCOCC1 ZINC001303760724 1068327474 /nfs/dbraw/zinc/32/74/74/1068327474.db2.gz BYPGOYNXEFGUSQ-IIBYNOLFSA-N 1 0 461.573 3.074 20 0 JGADRO CC(C)N(C)C(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001303760931 1068327945 /nfs/dbraw/zinc/32/79/45/1068327945.db2.gz DCDAQZQHRINEOG-NRFANRHFSA-N 1 0 474.694 3.062 20 0 JGADRO C[C@H](Cn1c(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)nnc1C(C)(C)C)C[NH+]1CCOCC1 ZINC001303761924 1068329621 /nfs/dbraw/zinc/32/96/21/1068329621.db2.gz GYFQNERLIAJAIL-SFTDATJTSA-N 1 0 468.646 3.033 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)[NH+](C)C ZINC001305206633 1068332963 /nfs/dbraw/zinc/33/29/63/1068332963.db2.gz SKSJOCLSKDRVFN-OUDXUNEISA-N 1 0 471.646 3.489 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)[NH+](C)C ZINC001305206634 1068333250 /nfs/dbraw/zinc/33/32/50/1068333250.db2.gz SKSJOCLSKDRVFN-UNVFRBQDSA-N 1 0 471.646 3.489 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@@H](C)C1 ZINC001305206833 1068333572 /nfs/dbraw/zinc/33/35/72/1068333572.db2.gz CITSQAFMKBPFSD-MOPGFXCFSA-N 1 0 460.648 3.149 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@H](C)C1 ZINC001305206835 1068333662 /nfs/dbraw/zinc/33/36/62/1068333662.db2.gz CITSQAFMKBPFSD-RBUKOAKNSA-N 1 0 460.648 3.149 20 0 JGADRO 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CC(C)[N@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001305213264 1068344608 /nfs/dbraw/zinc/34/46/08/1068344608.db2.gz NKQLCCHSEVXCHX-NFBKMPQASA-N 1 0 491.080 3.398 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCCC1 ZINC001303770794 1068345536 /nfs/dbraw/zinc/34/55/36/1068345536.db2.gz CSPNNZPMBXTKPE-OAHLLOKOSA-N 1 0 472.030 3.481 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCCC1 ZINC001303770793 1068345612 /nfs/dbraw/zinc/34/56/12/1068345612.db2.gz CSPNNZPMBXTKPE-HNNXBMFYSA-N 1 0 472.030 3.481 20 0 JGADRO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC(C)(C)O1 ZINC001305214436 1068347608 /nfs/dbraw/zinc/34/76/08/1068347608.db2.gz FBZGOMMJINGOAI-IBGZPJMESA-N 1 0 474.625 3.026 20 0 JGADRO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305214853 1068348608 /nfs/dbraw/zinc/34/86/08/1068348608.db2.gz LIIJNSTZDCEHAM-FPOVZHCZSA-N 1 0 475.609 3.237 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCCCC2)CCN1CC(F)(F)F ZINC001305215579 1068350472 /nfs/dbraw/zinc/35/04/72/1068350472.db2.gz FAWXRGSYHXDGLJ-QZTJIDSGSA-N 1 0 458.573 3.467 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[NH+]1CCCCCC1 ZINC001303772691 1068350726 /nfs/dbraw/zinc/35/07/26/1068350726.db2.gz BNRZENCDHMADNB-SFHVURJKSA-N 1 0 458.632 3.172 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001305215747 1068350923 /nfs/dbraw/zinc/35/09/23/1068350923.db2.gz GWNHHQDLLCYYAP-IMWIBFENSA-N 1 0 461.582 3.109 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CC[NH+]1CCCCCC1 ZINC001303772690 1068350852 /nfs/dbraw/zinc/35/08/52/1068350852.db2.gz BNRZENCDHMADNB-GOSISDBHSA-N 1 0 458.632 3.172 20 0 JGADRO C[C@@H](COCc1ccccc1)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303775038 1068353484 /nfs/dbraw/zinc/35/34/84/1068353484.db2.gz XZXNHHPBOACHLY-OAQYLSRUSA-N 1 0 468.646 3.174 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCCC1 ZINC001303775277 1068353783 /nfs/dbraw/zinc/35/37/83/1068353783.db2.gz UQVMISFUCRXNTC-MRXNPFEDSA-N 1 0 498.491 3.451 20 0 JGADRO C[C@H]1C[N@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCOC2)CCCO1 ZINC001305219337 1068356492 /nfs/dbraw/zinc/35/64/92/1068356492.db2.gz AWIJEOARBGQMIY-VQTJNVASSA-N 1 0 478.037 3.484 20 0 JGADRO C[C@H]1COCCN1c1nnc(COc2ccc(Cl)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001305220019 1068357687 /nfs/dbraw/zinc/35/76/87/1068357687.db2.gz DSJJVZWQNYGFDN-RBUKOAKNSA-N 1 0 464.010 3.237 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cc(F)ccc2Br)n1CC(C)(C)O ZINC001305222047 1068361372 /nfs/dbraw/zinc/36/13/72/1068361372.db2.gz MHRYVPLIVULDQO-HIFRSBDPSA-N 1 0 452.372 3.291 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC001305223620 1068364723 /nfs/dbraw/zinc/36/47/23/1068364723.db2.gz URDXEXAVSATMOM-NFBKMPQASA-N 1 0 475.609 3.358 20 0 JGADRO C[C@@H]1C[N@@H+](CCCn2c(N3CCN(CC(F)(F)F)[C@H](C)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305223223 1068364853 /nfs/dbraw/zinc/36/48/53/1068364853.db2.gz SFBIAAVVENZZRB-KURKYZTESA-N 1 0 460.589 3.148 20 0 JGADRO CC(C)[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001305224198 1068366455 /nfs/dbraw/zinc/36/64/55/1068366455.db2.gz QUAUHUAWXUJTLJ-GFTAFNIFSA-N 1 0 476.666 3.430 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1)C(F)(F)F ZINC001303787517 1068368814 /nfs/dbraw/zinc/36/88/14/1068368814.db2.gz GALDFYJPBYLGTO-XLIONFOSSA-N 1 0 476.551 3.054 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001305225201 1068368913 /nfs/dbraw/zinc/36/89/13/1068368913.db2.gz UBQNUNBFNRMQDV-OALUTQOASA-N 1 0 455.607 3.270 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cnccn3)n2CCC[N@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001303788058 1068369568 /nfs/dbraw/zinc/36/95/68/1068369568.db2.gz JQTBPZVBMKCYPH-GOSISDBHSA-N 1 0 480.583 3.463 20 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C[C@H](N1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCCC2)CC1)C(F)(F)F ZINC001303792734 1068377039 /nfs/dbraw/zinc/37/70/39/1068377039.db2.gz KTXOXLWRZVWPSQ-SFHVURJKSA-N 1 0 465.568 3.211 20 0 JGADRO C[C@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305231545 1068377509 /nfs/dbraw/zinc/37/75/09/1068377509.db2.gz WMYGUIVGCFERSI-PGRDOPGGSA-N 1 0 475.659 3.084 20 0 JGADRO C[C@@H]1COCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C1CCCCC1 ZINC001305232779 1068378913 /nfs/dbraw/zinc/37/89/13/1068378913.db2.gz SDTKBYCHLYQPOZ-CTNGQTDRSA-N 1 0 492.665 3.076 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001303794456 1068379591 /nfs/dbraw/zinc/37/95/91/1068379591.db2.gz BPJJMMILPUPDKR-HBMCJLEFSA-N 1 0 474.650 3.174 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001303796689 1068385399 /nfs/dbraw/zinc/38/53/99/1068385399.db2.gz IKHHIQOTHMIZNS-MOPGFXCFSA-N 1 0 470.643 3.339 20 0 JGADRO C[C@@H]1CSCCN1c1nnc(CCOc2ccccc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305237224 1068386729 /nfs/dbraw/zinc/38/67/29/1068386729.db2.gz DEVJTYGGIACUQP-OAQYLSRUSA-N 1 0 472.703 3.115 20 0 JGADRO C[C@@H]1CSCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCCC1 ZINC001305238754 1068387727 /nfs/dbraw/zinc/38/77/27/1068387727.db2.gz RHZXBZUXXFSNNY-RTBURBONSA-N 1 0 480.679 3.014 20 0 JGADRO C[C@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCC2)CCOC1(C)C ZINC001305240076 1068389756 /nfs/dbraw/zinc/38/97/56/1068389756.db2.gz MLSFXBOQCPPELR-GOSISDBHSA-N 1 0 475.659 3.227 20 0 JGADRO C[C@H]1N(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+](C)Cc2ccccc2)CCOC1(C)C ZINC001305240552 1068390288 /nfs/dbraw/zinc/39/02/88/1068390288.db2.gz PNYIJUUKTVFAPV-HXUWFJFHSA-N 1 0 477.613 3.451 20 0 JGADRO C[C@@H]1N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCCCC2)CCOC1(C)C ZINC001305241338 1068391492 /nfs/dbraw/zinc/39/14/92/1068391492.db2.gz SOFQRNZFPHGULS-SFHVURJKSA-N 1 0 455.607 3.194 20 0 JGADRO C[C@@H]1N(c2nnc(-c3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)CCOC1(C)C ZINC001305241258 1068391845 /nfs/dbraw/zinc/39/18/45/1068391845.db2.gz MPUKWJRDTDGQKD-IBGZPJMESA-N 1 0 450.587 3.333 20 0 JGADRO C[C@@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCCC2)CCOC1(C)C ZINC001305242667 1068393756 /nfs/dbraw/zinc/39/37/56/1068393756.db2.gz YTJZKOVZAWBMLY-SFHVURJKSA-N 1 0 475.659 3.227 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001303800268 1068393923 /nfs/dbraw/zinc/39/39/23/1068393923.db2.gz WPNMTXXHKSXXBY-IEBWSBKVSA-N 1 0 456.616 3.026 20 0 JGADRO C[C@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCCC2)CCOC1(C)C ZINC001305242664 1068394015 /nfs/dbraw/zinc/39/40/15/1068394015.db2.gz YTJZKOVZAWBMLY-GOSISDBHSA-N 1 0 475.659 3.227 20 0 JGADRO C[C@@H]1N(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)CCOC1(C)C ZINC001305243052 1068394629 /nfs/dbraw/zinc/39/46/29/1068394629.db2.gz IHIAWLVFLONFOM-VQTJNVASSA-N 1 0 492.665 3.076 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCOCC[NH+](C)C)C1 ZINC001303801455 1068397527 /nfs/dbraw/zinc/39/75/27/1068397527.db2.gz WHZUILASKXUOOV-OALUTQOASA-N 1 0 466.671 3.283 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCOCC[NH+](C)C)C1 ZINC001303801454 1068397561 /nfs/dbraw/zinc/39/75/61/1068397561.db2.gz WHZUILASKXUOOV-MOPGFXCFSA-N 1 0 466.671 3.283 20 0 JGADRO C[C@H]1N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)CCOC1(C)C ZINC001305244927 1068397655 /nfs/dbraw/zinc/39/76/55/1068397655.db2.gz PZHSPZMVYYKCBA-UXHICEINSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305246127 1068399440 /nfs/dbraw/zinc/39/94/40/1068399440.db2.gz QSSZVICCBHSADA-OYHNWAKOSA-N 1 0 451.974 3.198 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303803393 1068402486 /nfs/dbraw/zinc/40/24/86/1068402486.db2.gz MYPVZNZXEALOQA-ROUUACIJSA-N 1 0 480.654 3.489 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1C(C)(C)C)c1ccccc1 ZINC001303803715 1068402572 /nfs/dbraw/zinc/40/25/72/1068402572.db2.gz OJQJRHXRRKGXET-IBGZPJMESA-N 1 0 456.635 3.000 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 ZINC001303804147 1068403811 /nfs/dbraw/zinc/40/38/11/1068403811.db2.gz ROUKXSXULJLMQR-VQTJNVASSA-N 1 0 461.614 3.060 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 ZINC001303804148 1068403830 /nfs/dbraw/zinc/40/38/30/1068403830.db2.gz ROUKXSXULJLMQR-WOJBJXKFSA-N 1 0 461.614 3.060 20 0 JGADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001303805500 1068408948 /nfs/dbraw/zinc/40/89/48/1068408948.db2.gz DMPWJOYRBNVULK-RTBURBONSA-N 1 0 474.675 3.104 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(C)CCC1 ZINC001303805901 1068410213 /nfs/dbraw/zinc/41/02/13/1068410213.db2.gz GHJFRVGNOOGHEC-PZJWPPBQSA-N 1 0 474.675 3.179 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(C)(C)C)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001303806538 1068411570 /nfs/dbraw/zinc/41/15/70/1068411570.db2.gz DZDWTHUKEKRNJQ-LJQANCHMSA-N 1 0 476.691 3.405 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303807617 1068413350 /nfs/dbraw/zinc/41/33/50/1068413350.db2.gz BCQMJAOYCCPSJG-PMACEKPBSA-N 1 0 499.685 3.337 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303808182 1068414175 /nfs/dbraw/zinc/41/41/75/1068414175.db2.gz CHCWJHRHHZNTKY-KRWDZBQOSA-N 1 0 483.082 3.300 20 0 JGADRO CC(C)n1nc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001305254433 1068415269 /nfs/dbraw/zinc/41/52/69/1068415269.db2.gz HNNGTSHZUPYLFR-RBUKOAKNSA-N 1 0 499.685 3.144 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303812490 1068423119 /nfs/dbraw/zinc/42/31/19/1068423119.db2.gz ZDUFGBVGXSYFMK-QFBILLFUSA-N 1 0 483.082 3.299 20 0 JGADRO C[C@@H]1SCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([NH+](C)C)CCOCC2)[C@H]1C ZINC001305259468 1068425474 /nfs/dbraw/zinc/42/54/74/1068425474.db2.gz YIRRCYIFSKEYAS-HOTGVXAUSA-N 1 0 451.040 3.435 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccsc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001303815070 1068426980 /nfs/dbraw/zinc/42/69/80/1068426980.db2.gz OHBBPWHBUHKNCB-FUHWJXTLSA-N 1 0 478.644 3.016 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccs2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303815696 1068428274 /nfs/dbraw/zinc/42/82/74/1068428274.db2.gz QQDIPNNUSFUONK-PKOBYXMFSA-N 1 0 480.704 3.383 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccs2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303815693 1068428327 /nfs/dbraw/zinc/42/83/27/1068428327.db2.gz QQDIPNNUSFUONK-HKUYNNGSSA-N 1 0 480.704 3.383 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303818263 1068432136 /nfs/dbraw/zinc/43/21/36/1068432136.db2.gz ATBIIVAAMYLFPT-LAUBAEHRSA-N 1 0 492.665 3.317 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccccc2)C2CC2)C1 ZINC001303819654 1068434297 /nfs/dbraw/zinc/43/42/97/1068434297.db2.gz FMHJAUBTJMWVNB-FPOVZHCZSA-N 1 0 474.675 3.178 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001305264362 1068441613 /nfs/dbraw/zinc/44/16/13/1068441613.db2.gz FIPAWEAKKBVNQZ-RQNQAMLKSA-N 1 0 467.662 3.269 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001305264363 1068441709 /nfs/dbraw/zinc/44/17/09/1068441709.db2.gz FIPAWEAKKBVNQZ-UNIVCBNLSA-N 1 0 467.662 3.269 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(C)C)C1 ZINC001305265944 1068447490 /nfs/dbraw/zinc/44/74/90/1068447490.db2.gz JMNDUMRUWVPMJJ-HSZRJFAPSA-N 1 0 481.689 3.184 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCCC[NH+]1CCCC1 ZINC001303827772 1068447725 /nfs/dbraw/zinc/44/77/25/1068447725.db2.gz JOXHCPAILDKEAH-RTBURBONSA-N 1 0 454.685 3.027 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305266531 1068450146 /nfs/dbraw/zinc/45/01/46/1068450146.db2.gz LENCYIIQBCJCNW-RBBKRZOGSA-N 1 0 467.662 3.269 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001303830030 1068453435 /nfs/dbraw/zinc/45/34/35/1068453435.db2.gz HFEOOALNHIAQEW-UXHICEINSA-N 1 0 488.702 3.405 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303830941 1068455258 /nfs/dbraw/zinc/45/52/58/1068455258.db2.gz MQPYVZOJQHDPJQ-FLQYYVGBSA-N 1 0 488.702 3.424 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303830948 1068455339 /nfs/dbraw/zinc/45/53/39/1068455339.db2.gz MRXJGYQHEMUZGM-ICSRJNTNSA-N 1 0 492.665 3.143 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001305268570 1068457946 /nfs/dbraw/zinc/45/79/46/1068457946.db2.gz PKFXVJNMTDQPBZ-DHIUTWEWSA-N 1 0 461.614 3.062 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001303832412 1068458806 /nfs/dbraw/zinc/45/88/06/1068458806.db2.gz WMEOEIOPBPKFKV-AQNXPRMDSA-N 1 0 474.675 3.015 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3cccc(F)c3)C2)C1 ZINC001303832696 1068459190 /nfs/dbraw/zinc/45/91/90/1068459190.db2.gz YUKXNIHBVAQWMN-ZVDOUQERSA-N 1 0 492.665 3.142 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001303832769 1068459993 /nfs/dbraw/zinc/45/99/93/1068459993.db2.gz ZXZCHDGNINMHRX-OKZBNKHCSA-N 1 0 480.704 3.269 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001305269177 1068460737 /nfs/dbraw/zinc/46/07/37/1068460737.db2.gz TZHFELJGBXPKLK-DNQXCXABSA-N 1 0 482.673 3.359 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CCCS1 ZINC001303835067 1068463348 /nfs/dbraw/zinc/46/33/48/1068463348.db2.gz VOYCTOWFRHROJY-DYXWJJEUSA-N 1 0 498.763 3.265 20 0 JGADRO C[C@@H]1SCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCSCC2)[C@H]1C ZINC001305269746 1068463493 /nfs/dbraw/zinc/46/34/93/1068463493.db2.gz VCNDVRQFDOUSIM-CADBVGFASA-N 1 0 496.747 3.428 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001305270067 1068464295 /nfs/dbraw/zinc/46/42/95/1068464295.db2.gz VWYMVNKMARTLTQ-NZQKXSOJSA-N 1 0 461.614 3.356 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001303836475 1068465772 /nfs/dbraw/zinc/46/57/72/1068465772.db2.gz MAWQDFUSSUVHIQ-SESVDKBCSA-N 1 0 484.686 3.119 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001305271002 1068467320 /nfs/dbraw/zinc/46/73/20/1068467320.db2.gz YRLGFYCCOYIQRM-FGZHOGPDSA-N 1 0 465.577 3.277 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001305271471 1068468459 /nfs/dbraw/zinc/46/84/59/1068468459.db2.gz ZMYYSFMGHMJKRB-DZRGJMJISA-N 1 0 453.635 3.346 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001305271807 1068469860 /nfs/dbraw/zinc/46/98/60/1068469860.db2.gz TVDQYGMOVHLFDC-LNRXMEIDSA-N 1 0 460.667 3.035 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303843348 1068473463 /nfs/dbraw/zinc/47/34/63/1068473463.db2.gz WIXTUQRVUUOLHG-RTBURBONSA-N 1 0 466.696 3.169 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3c(Cl)cccc3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303843477 1068474089 /nfs/dbraw/zinc/47/40/89/1068474089.db2.gz JTMVIVDEOKMPNX-KRWDZBQOSA-N 1 0 495.093 3.369 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001305273482 1068475346 /nfs/dbraw/zinc/47/53/46/1068475346.db2.gz YLJLEGAUOCEZLP-ICSRJNTNSA-N 1 0 475.037 3.347 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305276460 1068477459 /nfs/dbraw/zinc/47/74/59/1068477459.db2.gz IIWPYMXMTFSONX-ADYITMSISA-N 1 0 474.694 3.424 20 0 JGADRO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1)[NH+]1CCCC1 ZINC001303844834 1068477525 /nfs/dbraw/zinc/47/75/25/1068477525.db2.gz VNQAVQIPVGXQAP-UWJYYQICSA-N 1 0 495.093 3.225 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001303844983 1068477981 /nfs/dbraw/zinc/47/79/81/1068477981.db2.gz KTKJNRFMFSYUKK-DFQSSKMNSA-N 1 0 496.628 3.034 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001305278117 1068479539 /nfs/dbraw/zinc/47/95/39/1068479539.db2.gz OHWZULCMLNXGKT-DNVJHFABSA-N 1 0 468.646 3.490 20 0 JGADRO CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001305279358 1068481463 /nfs/dbraw/zinc/48/14/63/1068481463.db2.gz NIAJYURSQYNERA-CTNGQTDRSA-N 1 0 476.691 3.425 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303847266 1068481715 /nfs/dbraw/zinc/48/17/15/1068481715.db2.gz VAOQKCVWFDMWKB-LEWJYISDSA-N 1 0 486.686 3.447 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303850865 1068486619 /nfs/dbraw/zinc/48/66/19/1068486619.db2.gz ACFICJBRGJVQHF-MJGOQNOKSA-N 1 0 480.704 3.413 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303850983 1068487254 /nfs/dbraw/zinc/48/72/54/1068487254.db2.gz AKCICFYHDVEVMV-CAMMJAKZSA-N 1 0 466.677 3.022 20 0 JGADRO CC(C)[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001303851110 1068487797 /nfs/dbraw/zinc/48/77/97/1068487797.db2.gz BSFYMUQWDPBVJT-UFYCRDLUSA-N 1 0 478.663 3.333 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccco2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001303851236 1068488603 /nfs/dbraw/zinc/48/86/03/1068488603.db2.gz DFHLBJVDBVDCLC-UFYCRDLUSA-N 1 0 478.663 3.477 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccco2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001303851398 1068489084 /nfs/dbraw/zinc/48/90/84/1068489084.db2.gz FPPJDSUGAIFVBF-VDGAXYAQSA-N 1 0 490.605 3.265 20 0 JGADRO CC[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001305288244 1068490804 /nfs/dbraw/zinc/49/08/04/1068490804.db2.gz MIUGYJGATNXTME-RUZDIDTESA-N 1 0 489.064 3.477 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]2CCC[C@@H]21)C(C)C ZINC001303851852 1068490892 /nfs/dbraw/zinc/49/08/92/1068490892.db2.gz IRLZDPMJAJFVPJ-ZCNNSNEGSA-N 1 0 454.685 3.166 20 0 JGADRO CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001305289244 1068492001 /nfs/dbraw/zinc/49/20/01/1068492001.db2.gz IKUXHVFSPDZTSP-QVNIBDNGSA-N 1 0 456.635 3.067 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CC1([NH+](C)C)CCCC1 ZINC001303852962 1068492477 /nfs/dbraw/zinc/49/24/77/1068492477.db2.gz NKNAPYYMWASDLT-SJORKVTESA-N 1 0 466.677 3.166 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303856369 1068496396 /nfs/dbraw/zinc/49/63/96/1068496396.db2.gz VHLYDLRMMXCIBK-YTQUADARSA-N 1 0 480.704 3.412 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@]3(CC=CCC3)C2)C1 ZINC001303856615 1068496945 /nfs/dbraw/zinc/49/69/45/1068496945.db2.gz YTPNZQWOAHIJMG-HFMPRLQTSA-N 1 0 478.707 3.335 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCc2ccccc21 ZINC001303856641 1068497051 /nfs/dbraw/zinc/49/70/51/1068497051.db2.gz ZCOPRJOBFVAANX-CTNGQTDRSA-N 1 0 488.702 3.319 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(F)c1)C(C)C ZINC001303856451 1068497068 /nfs/dbraw/zinc/49/70/68/1068497068.db2.gz WANGLPMOWQOFFE-GHTZIAJQSA-N 1 0 480.654 3.488 20 0 JGADRO CC(C)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001303858705 1068499380 /nfs/dbraw/zinc/49/93/80/1068499380.db2.gz VNQRFIVOTBNQOP-HXUWFJFHSA-N 1 0 474.675 3.037 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCC(C)(C)C1CC1 ZINC001303864630 1068502188 /nfs/dbraw/zinc/50/21/88/1068502188.db2.gz FBZOUZZJYOPMJT-IBGZPJMESA-N 1 0 480.723 3.417 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305299265 1068507383 /nfs/dbraw/zinc/50/73/83/1068507383.db2.gz JNBRLKVTFKGMFK-HTAPYJJXSA-N 1 0 496.425 3.309 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001305299311 1068507996 /nfs/dbraw/zinc/50/79/96/1068507996.db2.gz KJNKYIGXJNFFCV-QFIPXVFZSA-N 1 0 478.435 3.170 20 0 JGADRO C[C@@](O)(C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)CC1)C(F)(F)F ZINC001303876229 1068510653 /nfs/dbraw/zinc/51/06/53/1068510653.db2.gz DNFPHIWHSWNKTP-WZONZLPQSA-N 1 0 499.553 3.461 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001305303320 1068512285 /nfs/dbraw/zinc/51/22/85/1068512285.db2.gz VPMYOLPPUJDYAP-HOKHCIIBSA-N 1 0 451.619 3.359 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303877705 1068512576 /nfs/dbraw/zinc/51/25/76/1068512576.db2.gz VMSQUCVRTMKAOG-QZTJIDSGSA-N 1 0 496.703 3.040 20 0 JGADRO CC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001305306930 1068514818 /nfs/dbraw/zinc/51/48/18/1068514818.db2.gz OBFKGLCYHZKPFY-VWLOTQADSA-N 1 0 483.686 3.053 20 0 JGADRO C[C@](O)(C1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303879395 1068515241 /nfs/dbraw/zinc/51/52/41/1068515241.db2.gz IANBXFGWQSWQJD-NRFANRHFSA-N 1 0 452.525 3.356 20 0 JGADRO C[C@@](O)(C1CCN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1)C(F)(F)F ZINC001303881122 1068519555 /nfs/dbraw/zinc/51/95/55/1068519555.db2.gz VGFJMTNFSZXEDH-WMZHIEFXSA-N 1 0 496.578 3.107 20 0 JGADRO C[C@H](O)c1ccc(Cn2c(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001303886921 1068524290 /nfs/dbraw/zinc/52/42/90/1068524290.db2.gz DBXKMYGBDAGWLX-NRFANRHFSA-N 1 0 496.700 3.496 20 0 JGADRO CC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1ccc(C)o1 ZINC001305316052 1068530353 /nfs/dbraw/zinc/53/03/53/1068530353.db2.gz WEKUARHXGYMHGA-AREMUKBSSA-N 1 0 466.630 3.342 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001303893453 1068532152 /nfs/dbraw/zinc/53/21/52/1068532152.db2.gz SXAMSHDLUJUYNA-LJQANCHMSA-N 1 0 485.608 3.162 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001305317721 1068533721 /nfs/dbraw/zinc/53/37/21/1068533721.db2.gz HXUFSUQUVGAYLZ-GXOBATCFSA-N 1 0 487.645 3.441 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)N(C)C)CC1 ZINC001303895784 1068533959 /nfs/dbraw/zinc/53/39/59/1068533959.db2.gz RPJDNSBSSIQQNB-SFHVURJKSA-N 1 0 460.598 3.202 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@H](C(N)=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303896215 1068535319 /nfs/dbraw/zinc/53/53/19/1068535319.db2.gz YPQJREBUTOABOX-ROUUACIJSA-N 1 0 458.582 3.133 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001303896932 1068537031 /nfs/dbraw/zinc/53/70/31/1068537031.db2.gz DPFVQHBNNOZLBX-KRWDZBQOSA-N 1 0 458.582 3.004 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001303898295 1068539844 /nfs/dbraw/zinc/53/98/44/1068539844.db2.gz NMGLQEIBWDWRED-AVRDEDQJSA-N 1 0 493.649 3.445 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(O)CCOCC1 ZINC001303899932 1068542569 /nfs/dbraw/zinc/54/25/69/1068542569.db2.gz XGUCLEOKXQAAMN-GOSISDBHSA-N 1 0 461.582 3.019 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001303899946 1068542726 /nfs/dbraw/zinc/54/27/26/1068542726.db2.gz XJYSCMUCMITEMB-DXIQSLLYSA-N 1 0 493.649 3.445 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303899934 1068542820 /nfs/dbraw/zinc/54/28/20/1068542820.db2.gz XHQKYWMBZWFISI-BBTUJRGHSA-N 1 0 472.609 3.379 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001305324126 1068544114 /nfs/dbraw/zinc/54/41/14/1068544114.db2.gz RLSZCXICQOITPB-FNZWTVRRSA-N 1 0 487.645 3.060 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303903699 1068547623 /nfs/dbraw/zinc/54/76/23/1068547623.db2.gz TYNUOGULLYKMEW-SFHVURJKSA-N 1 0 463.623 3.248 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001303904290 1068548605 /nfs/dbraw/zinc/54/86/05/1068548605.db2.gz WEUZIAYKRLIXDA-DFBJGRDBSA-N 1 0 485.608 3.383 20 0 JGADRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001305327313 1068550851 /nfs/dbraw/zinc/55/08/51/1068550851.db2.gz NPFXPFHPGAZYLT-KBMIEXCESA-N 1 0 489.064 3.140 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H](C)[NH+](C)C ZINC001303905819 1068551263 /nfs/dbraw/zinc/55/12/63/1068551263.db2.gz WXROHXPCMBEDQG-JKSUJKDBSA-N 1 0 451.015 3.373 20 0 JGADRO CC[C@@H](C)[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001305329271 1068553731 /nfs/dbraw/zinc/55/37/31/1068553731.db2.gz OJXWOFJHIXPDCU-QFQXNSOFSA-N 1 0 484.693 3.027 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001305329525 1068554344 /nfs/dbraw/zinc/55/43/44/1068554344.db2.gz HGCJJJGSVFRBCW-BVZFJXPGSA-N 1 0 467.618 3.312 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCC(=O)N(C)C ZINC001303910011 1068557978 /nfs/dbraw/zinc/55/79/78/1068557978.db2.gz LLSPZZGLGPKLKL-AOIWGVFYSA-N 1 0 461.010 3.223 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001303910849 1068559095 /nfs/dbraw/zinc/55/90/95/1068559095.db2.gz HWVCAJXVNUIQRX-KURKYZTESA-N 1 0 461.010 3.258 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001305333544 1068563764 /nfs/dbraw/zinc/56/37/64/1068563764.db2.gz JFEMFXOTGKLYRD-QHWMMSMNSA-N 1 0 484.689 3.179 20 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1 0 450.697 3.312 20 0 JGADRO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001305414013 1068652610 /nfs/dbraw/zinc/65/26/10/1068652610.db2.gz OLWMNLALFGNTKZ-IPMKNSEASA-N 1 0 464.655 3.252 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305426271 1068662814 /nfs/dbraw/zinc/66/28/14/1068662814.db2.gz NCTKSGREDZABQT-PWRODBHTSA-N 1 0 462.683 3.374 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001305426114 1068662902 /nfs/dbraw/zinc/66/29/02/1068662902.db2.gz NXJXWQKZRVDFHV-FCHUYYIVSA-N 1 0 496.704 3.376 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305429144 1068668035 /nfs/dbraw/zinc/66/80/35/1068668035.db2.gz GISWQUMYRICZTI-HTAPYJJXSA-N 1 0 474.616 3.347 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001305431138 1068669235 /nfs/dbraw/zinc/66/92/35/1068669235.db2.gz 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1068719732 /nfs/dbraw/zinc/71/97/32/1068719732.db2.gz AIELHOANPBPJKZ-WIYYLYMNSA-N 1 0 453.635 3.496 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001305483661 1068719881 /nfs/dbraw/zinc/71/98/81/1068719881.db2.gz AIELHOANPBPJKZ-GHTZIAJQSA-N 1 0 453.635 3.496 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1CC[NH+]1CCCCCC1 ZINC001305486834 1068724559 /nfs/dbraw/zinc/72/45/59/1068724559.db2.gz DTYZOTGHSOFIDK-IRLDBZIGSA-N 1 0 480.723 3.498 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001305487384 1068725002 /nfs/dbraw/zinc/72/50/02/1068725002.db2.gz GKDKAMMNSIXPOX-XLIONFOSSA-N 1 0 460.648 3.157 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305487690 1068725666 /nfs/dbraw/zinc/72/56/66/1068725666.db2.gz PZODKYOKHJPVNJ-SLFFLAALSA-N 1 0 460.598 3.220 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001305488217 1068726085 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/nfs/dbraw/zinc/74/85/91/1068748591.db2.gz LQFUJUFJWIVFKS-PMACEKPBSA-N 1 0 458.655 3.316 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[N@H+](C)CCOC ZINC001305509755 1068749158 /nfs/dbraw/zinc/74/91/58/1068749158.db2.gz IDIBQUKZXARGOD-KRWDZBQOSA-N 1 0 481.016 3.125 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[N@H+](C)CCOC ZINC001305509759 1068749233 /nfs/dbraw/zinc/74/92/33/1068749233.db2.gz IDIBQUKZXARGOD-QGZVFWFLSA-N 1 0 481.016 3.125 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC(=O)NCC(F)(F)F ZINC001305511175 1068750734 /nfs/dbraw/zinc/75/07/34/1068750734.db2.gz RQECTXQDPOGUHO-KRWDZBQOSA-N 1 0 452.525 3.182 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1c(F)cc(F)c(F)c1F ZINC001305511548 1068752891 /nfs/dbraw/zinc/75/28/91/1068752891.db2.gz AJAMOVRPEQCMLZ-OAHLLOKOSA-N 1 0 482.526 3.141 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305511718 1068753446 /nfs/dbraw/zinc/75/34/46/1068753446.db2.gz BFLHWVQHCUYDEL-PCCBWWKXSA-N 1 0 475.682 3.017 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305512830 1068754512 /nfs/dbraw/zinc/75/45/12/1068754512.db2.gz VQJAGFGAGPRPIL-QFIPXVFZSA-N 1 0 481.689 3.028 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCOc1cccc(OC)c1 ZINC001305512675 1068755182 /nfs/dbraw/zinc/75/51/82/1068755182.db2.gz HLDMRHNVOPUGPD-REWPJTCUSA-N 1 0 484.645 3.012 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001305513154 1068756745 /nfs/dbraw/zinc/75/67/45/1068756745.db2.gz IKEMEAQFSHVCIZ-BWAGFHJFSA-N 1 0 472.609 3.061 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305513555 1068757772 /nfs/dbraw/zinc/75/77/72/1068757772.db2.gz KSJRDROSNRVEDK-QHAWAJNXSA-N 1 0 460.667 3.130 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305514108 1068759468 /nfs/dbraw/zinc/75/94/68/1068759468.db2.gz DFRNKPPBCYFXRF-UFYCRDLUSA-N 1 0 477.698 3.310 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001305514087 1068759585 /nfs/dbraw/zinc/75/95/85/1068759585.db2.gz LINYGJXWGFYUGW-FYYLOGMGSA-N 1 0 468.646 3.232 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1ccc(CSC)cc1 ZINC001305514780 1068761198 /nfs/dbraw/zinc/76/11/98/1068761198.db2.gz QCHOWSUNGNBXAL-FQEVSTJZSA-N 1 0 470.687 3.447 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1ccccc1Br ZINC001305515038 1068761646 /nfs/dbraw/zinc/76/16/46/1068761646.db2.gz RJFVVESVDOOEAS-YLJYHZDGSA-N 1 0 489.462 3.345 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001305518670 1068768810 /nfs/dbraw/zinc/76/88/10/1068768810.db2.gz MAEDINLDJHWNPZ-NZQKXSOJSA-N 1 0 467.662 3.015 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305519054 1068769181 /nfs/dbraw/zinc/76/91/81/1068769181.db2.gz PDEXHMATOWGQGH-FDFHNCONSA-N 1 0 473.710 3.093 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305519737 1068770119 /nfs/dbraw/zinc/77/01/19/1068770119.db2.gz SPYBREMJINMSQC-FQEVSTJZSA-N 1 0 460.667 3.010 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001305519835 1068770815 /nfs/dbraw/zinc/77/08/15/1068770815.db2.gz FCTRNCPLAIUONJ-ACRUOGEOSA-N 1 0 488.681 3.150 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305520354 1068771940 /nfs/dbraw/zinc/77/19/40/1068771940.db2.gz WPKCCCDVDBBYHE-HFMPRLQTSA-N 1 0 499.679 3.367 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305520355 1068771992 /nfs/dbraw/zinc/77/19/92/1068771992.db2.gz WPKCCCDVDBBYHE-IMSXRSKXSA-N 1 0 499.679 3.367 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305520496 1068773014 /nfs/dbraw/zinc/77/30/14/1068773014.db2.gz HHEBLDXZGKNCEL-WOJBJXKFSA-N 1 0 475.707 3.367 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001305520798 1068773487 /nfs/dbraw/zinc/77/34/87/1068773487.db2.gz VKTQTYRVQDKECN-SFHVURJKSA-N 1 0 463.648 3.195 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305523645 1068776446 /nfs/dbraw/zinc/77/64/46/1068776446.db2.gz AMOWEPPUQVBTSC-PCCBWWKXSA-N 1 0 456.635 3.323 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001305523704 1068776528 /nfs/dbraw/zinc/77/65/28/1068776528.db2.gz BCFJBNDWKPETQF-NRFANRHFSA-N 1 0 487.668 3.294 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN([C@H](C)c3nccs3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001305524418 1068777095 /nfs/dbraw/zinc/77/70/95/1068777095.db2.gz UWXVNYDKKBIQDU-HBMCJLEFSA-N 1 0 475.707 3.488 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305525384 1068778697 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CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305704048 1069089716 /nfs/dbraw/zinc/08/97/16/1069089716.db2.gz JWBXOOFPEDJCOV-LEWJYISDSA-N 1 0 473.618 3.373 20 0 JGADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC001305704483 1069090470 /nfs/dbraw/zinc/09/04/70/1069090470.db2.gz LWCJDLWMYKCYEV-GOTSBHOMSA-N 1 0 487.624 3.263 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](OC)C1)[NH+](C)C ZINC001305704867 1069092374 /nfs/dbraw/zinc/09/23/74/1069092374.db2.gz NQKYJDAITOMMEO-WOJBJXKFSA-N 1 0 491.706 3.138 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)[NH+]1CCOCC1 ZINC001305705064 1069092654 /nfs/dbraw/zinc/09/26/54/1069092654.db2.gz ILTVDGXMCXBUAF-VXKWHMMOSA-N 1 0 462.683 3.280 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC001305705451 1069093250 /nfs/dbraw/zinc/09/32/50/1069093250.db2.gz JCRJDMBJNYHKGP-XMMPIXPASA-N 1 0 490.656 3.132 20 0 JGADRO 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CCC(CC)[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1cc(C)on1)[NH+](C)C ZINC001305709852 1069105458 /nfs/dbraw/zinc/10/54/58/1069105458.db2.gz GSUXMKGDWUCJLI-JOCHJYFZSA-N 1 0 492.628 3.491 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](COC)C1)[NH+](C)C ZINC001305709922 1069106079 /nfs/dbraw/zinc/10/60/79/1069106079.db2.gz RZLNJGCQZWLUQR-OALUTQOASA-N 1 0 451.015 3.212 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001305710019 1069106659 /nfs/dbraw/zinc/10/66/59/1069106659.db2.gz DFUMKUKAELKEIV-KNQAVFIVSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)[NH+](C)C ZINC001305710088 1069106792 /nfs/dbraw/zinc/10/67/92/1069106792.db2.gz HFIPDMUFPDQDDV-NRFANRHFSA-N 1 0 470.666 3.346 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001305710345 1069107219 /nfs/dbraw/zinc/10/72/19/1069107219.db2.gz VAVAFZRAXCRWAY-BKMJKUGQSA-N 1 0 468.646 3.092 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NC)CC1)[NH+](C)C ZINC001305710617 1069107799 /nfs/dbraw/zinc/10/77/99/1069107799.db2.gz WEHVPSLBUWLCQU-LJQANCHMSA-N 1 0 462.042 3.322 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305710933 1069108313 /nfs/dbraw/zinc/10/83/13/1069108313.db2.gz JHQMSWHMKFETJT-SEIBCYHCSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC001305711067 1069109520 /nfs/dbraw/zinc/10/95/20/1069109520.db2.gz AJLKMPJSNGZVTO-NNWRFLSQSA-N 1 0 462.683 3.232 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccsc1)[NH+]1CCOCC1 ZINC001305711192 1069110084 /nfs/dbraw/zinc/11/00/84/1069110084.db2.gz MQCJWFMJMIKUCK-PMACEKPBSA-N 1 0 460.648 3.064 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1)[NH+](C)C ZINC001305711527 1069110090 /nfs/dbraw/zinc/11/00/90/1069110090.db2.gz OCZONSPJSNDSJT-WKDRNLAYSA-N 1 0 460.667 3.239 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cncn2)C1)[NH+](C)C ZINC001305711718 1069111045 /nfs/dbraw/zinc/11/10/45/1069111045.db2.gz NZRJHZCGVMIIPG-VXKWHMMOSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C)CC1)[NH+](C)C ZINC001305712595 1069113063 /nfs/dbraw/zinc/11/30/63/1069113063.db2.gz UHMMTCZNNABDLD-GMAHTHKFSA-N 1 0 467.662 3.231 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001305712889 1069113826 /nfs/dbraw/zinc/11/38/26/1069113826.db2.gz SZZVOXLTPUWSFD-CVDCTZTESA-N 1 0 459.610 3.370 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001305712891 1069113834 /nfs/dbraw/zinc/11/38/34/1069113834.db2.gz SZZVOXLTPUWSFD-XXBNENTESA-N 1 0 459.610 3.370 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305712869 1069113862 /nfs/dbraw/zinc/11/38/62/1069113862.db2.gz SKKRMVCAJAMVQT-UGKGYDQZSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001305713341 1069115418 /nfs/dbraw/zinc/11/54/18/1069115418.db2.gz URALTUJWHPTAAI-VABKMULXSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1)[NH+](C)C ZINC001305713548 1069115989 /nfs/dbraw/zinc/11/59/89/1069115989.db2.gz JMGAGZUELYVKTJ-YADHBBJMSA-N 1 0 492.690 3.054 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305713723 1069116300 /nfs/dbraw/zinc/11/63/00/1069116300.db2.gz GTEIDSPEWPBRDW-FGZHOGPDSA-N 1 0 460.667 3.335 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCOCC1 ZINC001305713974 1069116311 /nfs/dbraw/zinc/11/63/11/1069116311.db2.gz WIAJBUCGVRYQAF-NFBKMPQASA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+](C)C ZINC001305713791 1069116385 /nfs/dbraw/zinc/11/63/85/1069116385.db2.gz CLOOWIRFTDXBNG-BDTNDASRSA-N 1 0 492.709 3.063 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+]1CCOCC1 ZINC001305714083 1069117125 /nfs/dbraw/zinc/11/71/25/1069117125.db2.gz WTODVTKAPIVQIV-REWPJTCUSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCOCC2)C1)[NH+](C)C ZINC001305714495 1069118507 /nfs/dbraw/zinc/11/85/07/1069118507.db2.gz YBBJYXLJACGKOI-NRFANRHFSA-N 1 0 476.691 3.386 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1)[NH+](C)C ZINC001305715426 1069120968 /nfs/dbraw/zinc/12/09/68/1069120968.db2.gz MGZKFMVGPBCRES-AQNXPRMDSA-N 1 0 487.661 3.418 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+]1CCOCC1 ZINC001305716005 1069121553 /nfs/dbraw/zinc/12/15/53/1069121553.db2.gz OCEWGAQRXBCNEX-BHDDXSALSA-N 1 0 474.694 3.061 20 0 JGADRO CCC(CC)[C@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCC(=O)N1)[NH+](C)C ZINC001305716172 1069122302 /nfs/dbraw/zinc/12/23/02/1069122302.db2.gz OTCIOMWKZUBTKC-ULQDDVLXSA-N 1 0 450.538 3.116 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)OC2(CCOCC2)C1)[NH+](C)C ZINC001305716252 1069122415 /nfs/dbraw/zinc/12/24/15/1069122415.db2.gz ORBGSOAKYHSBNT-UDIDDNNKSA-N 1 0 493.693 3.143 20 0 JGADRO CCC(CC)[C@@H](Cn1c(N2CCC(CCC(N)=O)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305716609 1069122935 /nfs/dbraw/zinc/12/29/35/1069122935.db2.gz QVJRVQHVKXUYPA-OAQYLSRUSA-N 1 0 462.683 3.195 20 0 JGADRO CCC(CC)[C@H](Cn1c(Nc2ccn(C)n2)nnc1-c1nn(C)c(=O)c2ccccc21)[NH+](C)C ZINC001305716967 1069123619 /nfs/dbraw/zinc/12/36/19/1069123619.db2.gz SBPNOZKSKILXAD-IBGZPJMESA-N 1 0 463.590 3.036 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1)[NH+](C)C ZINC001305718248 1069125989 /nfs/dbraw/zinc/12/59/89/1069125989.db2.gz WSWBERJHSBRHBH-ZJSXRUAMSA-N 1 0 484.645 3.216 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001305719898 1069128095 /nfs/dbraw/zinc/12/80/95/1069128095.db2.gz FPGFQUVTTJXJCB-UHFFFAOYSA-N 1 0 489.709 3.345 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305720929 1069130450 /nfs/dbraw/zinc/13/04/50/1069130450.db2.gz UDQPOGYAIRDYMP-UHFFFAOYSA-N 1 0 490.693 3.440 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305726876 1069144706 /nfs/dbraw/zinc/14/47/06/1069144706.db2.gz CZXWTDQZBZRUOE-FQEVSTJZSA-N 1 0 460.667 3.224 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001305727810 1069146387 /nfs/dbraw/zinc/14/63/87/1069146387.db2.gz WROOAHNMIMIXNF-SFHVURJKSA-N 1 0 477.057 3.237 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCOC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001305728001 1069147172 /nfs/dbraw/zinc/14/71/72/1069147172.db2.gz CEYJKORWZFRZBP-SIKLNZKXSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305736048 1069157281 /nfs/dbraw/zinc/15/72/81/1069157281.db2.gz MOARKQQNWCLWJM-FQRUVTKNSA-N 1 0 490.693 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001305737145 1069159637 /nfs/dbraw/zinc/15/96/37/1069159637.db2.gz ZWLVCAORDFQFLD-BGYRXZFFSA-N 1 0 482.673 3.294 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@](C)(O)c1ccccc1Cl ZINC001305737950 1069162371 /nfs/dbraw/zinc/16/23/71/1069162371.db2.gz ARMDQAWMRYVRGO-KMEZTADASA-N 1 0 489.064 3.431 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305738317 1069163785 /nfs/dbraw/zinc/16/37/85/1069163785.db2.gz CMDIILFYGMZAEL-RTWAWAEBSA-N 1 0 460.667 3.202 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305738318 1069163824 /nfs/dbraw/zinc/16/38/24/1069163824.db2.gz CMDIILFYGMZAEL-SFTDATJTSA-N 1 0 460.667 3.202 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001305739659 1069168223 /nfs/dbraw/zinc/16/82/23/1069168223.db2.gz GBLVKNDXQJXJER-OALUTQOASA-N 1 0 462.664 3.422 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001305739588 1069168247 /nfs/dbraw/zinc/16/82/47/1069168247.db2.gz OUDLLZKXDSMOEF-FUHWJXTLSA-N 1 0 474.572 3.229 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccc(OC)c(F)c1 ZINC001305742623 1069177450 /nfs/dbraw/zinc/17/74/50/1069177450.db2.gz WDZIACDHDARORI-SJORKVTESA-N 1 0 460.598 3.311 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001305743963 1069181909 /nfs/dbraw/zinc/18/19/09/1069181909.db2.gz OCXJTWQIQXOQPX-RRTYAWIHSA-N 1 0 490.693 3.090 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305744105 1069182582 /nfs/dbraw/zinc/18/25/82/1069182582.db2.gz ZVJGBMPAASRPGK-IPMKNSEASA-N 1 0 456.635 3.217 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CCC[NH+]1CCCC1 ZINC001305745908 1069188096 /nfs/dbraw/zinc/18/80/96/1069188096.db2.gz YFRLRCMLVGSXMS-IBGZPJMESA-N 1 0 454.619 3.470 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CCC[NH+]1CCCC1 ZINC001305745909 1069188120 /nfs/dbraw/zinc/18/81/20/1069188120.db2.gz YFRLRCMLVGSXMS-LJQANCHMSA-N 1 0 454.619 3.470 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001305749266 1069193836 /nfs/dbraw/zinc/19/38/36/1069193836.db2.gz FBXVHMYHXHJGMA-AUSIDOKSSA-N 1 0 496.635 3.366 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305749464 1069194437 /nfs/dbraw/zinc/19/44/37/1069194437.db2.gz AVYFVDZGZDPRDW-QGZVFWFLSA-N 1 0 459.664 3.379 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305750454 1069195993 /nfs/dbraw/zinc/19/59/93/1069195993.db2.gz XPMDGJHYXGIPPE-XZOQPEGZSA-N 1 0 495.716 3.497 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305751713 1069198021 /nfs/dbraw/zinc/19/80/21/1069198021.db2.gz CFPMYGFGLIVYNN-FQEVSTJZSA-N 1 0 484.693 3.350 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCOC1 ZINC001305751627 1069198055 /nfs/dbraw/zinc/19/80/55/1069198055.db2.gz XRXPEPYRRIPWEQ-IRLDBZIGSA-N 1 0 468.646 3.334 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCC1CC[NH+](CC)CC1 ZINC001305752203 1069199275 /nfs/dbraw/zinc/19/92/75/1069199275.db2.gz NXNJSKRLLYLDRQ-LEWJYISDSA-N 1 0 460.667 3.181 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305752483 1069200277 /nfs/dbraw/zinc/20/02/77/1069200277.db2.gz SNPQJNVWQDSYGK-HXOBKFHXSA-N 1 0 460.648 3.221 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305752486 1069200337 /nfs/dbraw/zinc/20/03/37/1069200337.db2.gz SNPQJNVWQDSYGK-SBUREZEXSA-N 1 0 460.648 3.221 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305752807 1069200423 /nfs/dbraw/zinc/20/04/23/1069200423.db2.gz KNNSKALMPXDXKX-OAQYLSRUSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001305753220 1069202068 /nfs/dbraw/zinc/20/20/68/1069202068.db2.gz UIVVVYQQTBMQBQ-QHAWAJNXSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305753489 1069202543 /nfs/dbraw/zinc/20/25/43/1069202543.db2.gz YAZVDDGHBSHXSP-FQEVSTJZSA-N 1 0 484.693 3.434 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@@](C)(O)c1ccsc1 ZINC001305753694 1069203033 /nfs/dbraw/zinc/20/30/33/1069203033.db2.gz CCYDOYKWKUSUOP-UQBPGWFLSA-N 1 0 488.702 3.478 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001305754410 1069204468 /nfs/dbraw/zinc/20/44/68/1069204468.db2.gz DJIOAXHFZFMRKS-FXAWDEMLSA-N 1 0 491.681 3.125 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CC1(OC)CCCCC1 ZINC001305754347 1069204498 /nfs/dbraw/zinc/20/44/98/1069204498.db2.gz FWQKHONOTFUEOH-UHFFFAOYSA-N 1 0 490.693 3.094 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@]1(O)CCCC1(C)C ZINC001305754354 1069204549 /nfs/dbraw/zinc/20/45/49/1069204549.db2.gz FZCNABTWKTYLFK-FQRUVTKNSA-N 1 0 474.694 3.450 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@]1(O)CCCC1(C)C ZINC001305754356 1069204609 /nfs/dbraw/zinc/20/46/09/1069204609.db2.gz FZCNABTWKTYLFK-RXFWQSSRSA-N 1 0 474.694 3.450 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(F)(F)C2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001305755617 1069208116 /nfs/dbraw/zinc/20/81/16/1069208116.db2.gz NGDPZTVEYJFAAR-UHFFFAOYSA-N 1 0 461.561 3.354 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305756299 1069210114 /nfs/dbraw/zinc/21/01/14/1069210114.db2.gz FSHRDQDVQNYJLE-HSZRJFAPSA-N 1 0 495.672 3.091 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001305756784 1069211800 /nfs/dbraw/zinc/21/18/00/1069211800.db2.gz ZJXKIHRAWUTIHL-LJQANCHMSA-N 1 0 482.620 3.181 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001305758735 1069218965 /nfs/dbraw/zinc/21/89/65/1069218965.db2.gz MXRQFSKSSWTQBD-NIYFSFCBSA-N 1 0 486.636 3.165 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305759217 1069220588 /nfs/dbraw/zinc/22/05/88/1069220588.db2.gz CAJIGISCBLFNSI-CJFMBICVSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305761658 1069229003 /nfs/dbraw/zinc/22/90/03/1069229003.db2.gz CFUQOYBARPPAMM-VWPQPMDRSA-N 1 0 460.667 3.060 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305763707 1069232937 /nfs/dbraw/zinc/23/29/37/1069232937.db2.gz GVWHCVPDYKYFHW-NQIIRXRSSA-N 1 0 488.608 3.028 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001305765572 1069236152 /nfs/dbraw/zinc/23/61/52/1069236152.db2.gz WFEAVPJEQLSRTD-ONTIZHBOSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001305767478 1069239215 /nfs/dbraw/zinc/23/92/15/1069239215.db2.gz FNWBENHIAHBSKK-SFHVURJKSA-N 1 0 472.638 3.146 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1CCC[NH+]1CCCCC1 ZINC001305768406 1069241768 /nfs/dbraw/zinc/24/17/68/1069241768.db2.gz BHTSXUGNTBSIDH-JOCHJYFZSA-N 1 0 470.666 3.419 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1Cc1ccn(C)n1 ZINC001305770671 1069246974 /nfs/dbraw/zinc/24/69/74/1069246974.db2.gz WAQZMSDWWRNYCC-HXUWFJFHSA-N 1 0 470.666 3.071 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001305772133 1069250059 /nfs/dbraw/zinc/25/00/59/1069250059.db2.gz OVMOEKPYAKITRC-DHIUTWEWSA-N 1 0 468.646 3.476 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305774508 1069255544 /nfs/dbraw/zinc/25/55/44/1069255544.db2.gz VAUZRYCLFKIAOH-UHFFFAOYSA-N 1 0 481.689 3.395 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@H]1OCCC1(C)C ZINC001305775767 1069258182 /nfs/dbraw/zinc/25/81/82/1069258182.db2.gz FIZADSORNIOEFN-OAQYLSRUSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1Cc1nnc(C)s1 ZINC001305775753 1069258283 /nfs/dbraw/zinc/25/82/83/1069258283.db2.gz DRWMHBZRFUQJSL-UHFFFAOYSA-N 1 0 482.658 3.117 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305776478 1069260420 /nfs/dbraw/zinc/26/04/20/1069260420.db2.gz ULTFBVPFZVAXMK-CNNODRBYSA-N 1 0 470.666 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001305777603 1069263587 /nfs/dbraw/zinc/26/35/87/1069263587.db2.gz MROZCYVNYOOUBY-GGAORHGYSA-N 1 0 468.646 3.312 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001305777979 1069264752 /nfs/dbraw/zinc/26/47/52/1069264752.db2.gz XZMLNLYYKBISRP-LJQANCHMSA-N 1 0 491.681 3.174 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001305778264 1069265286 /nfs/dbraw/zinc/26/52/86/1069265286.db2.gz AHNGKVIOTOIROF-RUZDIDTESA-N 1 0 462.683 3.448 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001305779232 1069268105 /nfs/dbraw/zinc/26/81/05/1069268105.db2.gz LJTMGTZUBAOQIG-ZWKOTPCHSA-N 1 0 487.615 3.001 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001305780363 1069270555 /nfs/dbraw/zinc/27/05/55/1069270555.db2.gz CHNNHKZQHPCVIW-HXUWFJFHSA-N 1 0 489.615 3.286 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305780920 1069271991 /nfs/dbraw/zinc/27/19/91/1069271991.db2.gz OQTKDSJPVKQDIP-QFIPXVFZSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001305782213 1069274431 /nfs/dbraw/zinc/27/44/31/1069274431.db2.gz OIFVPGRJRWMRNA-UHFFFAOYSA-N 1 0 497.688 3.351 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305783771 1069278341 /nfs/dbraw/zinc/27/83/41/1069278341.db2.gz XPFFJEYFYQRBRI-FQEVSTJZSA-N 1 0 467.662 3.385 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001305784965 1069282895 /nfs/dbraw/zinc/28/28/95/1069282895.db2.gz CHMJQGCSHJHLOW-MGBGTMOVSA-N 1 0 480.723 3.198 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCOc1ncccc1F ZINC001305785066 1069283992 /nfs/dbraw/zinc/28/39/92/1069283992.db2.gz GRVFERLOCFIXCW-GOSISDBHSA-N 1 0 487.624 3.120 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCc1nccnc1C ZINC001305785437 1069285694 /nfs/dbraw/zinc/28/56/94/1069285694.db2.gz LGBQCMIRPDYZGL-UHFFFAOYSA-N 1 0 482.677 3.238 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001305785366 1069285846 /nfs/dbraw/zinc/28/58/46/1069285846.db2.gz FDTKKXJWMPDSBZ-ROUUACIJSA-N 1 0 460.598 3.334 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCc1ccc(C)c(OC)c1 ZINC001305785924 1069288999 /nfs/dbraw/zinc/28/89/99/1069288999.db2.gz OPGWGRLDDVVRMM-LJQANCHMSA-N 1 0 456.635 3.287 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001305787325 1069293634 /nfs/dbraw/zinc/29/36/34/1069293634.db2.gz JVXCIUVUZOOPPO-UHFFFAOYSA-N 1 0 475.037 3.439 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@]1(C)CCCO1 ZINC001305787634 1069294536 /nfs/dbraw/zinc/29/45/36/1069294536.db2.gz NEPYBFGVVFGGSI-AREMUKBSSA-N 1 0 468.646 3.396 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccccc1COC ZINC001305787773 1069295022 /nfs/dbraw/zinc/29/50/22/1069295022.db2.gz FGCZVZNZHLACOX-JOCHJYFZSA-N 1 0 454.619 3.066 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305788668 1069297565 /nfs/dbraw/zinc/29/75/65/1069297565.db2.gz ABLFHUNBKKVLPH-RTBURBONSA-N 1 0 462.664 3.422 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCc1ccc(C)c(OC)c1 ZINC001305788936 1069298022 /nfs/dbraw/zinc/29/80/22/1069298022.db2.gz NKJFBQOUHGHOFK-QFIPXVFZSA-N 1 0 468.646 3.431 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001305789734 1069300076 /nfs/dbraw/zinc/30/00/76/1069300076.db2.gz RBSLFKFUHZXXPH-INIZCTEOSA-N 1 0 496.582 3.164 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCc1ccc(NC(C)=O)cc1 ZINC001305789886 1069300334 /nfs/dbraw/zinc/30/03/34/1069300334.db2.gz SRLIKOQLBBOYQV-HSZRJFAPSA-N 1 0 481.645 3.072 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCCCNC(=O)OC(C)(C)C ZINC001305790316 1069301482 /nfs/dbraw/zinc/30/14/82/1069301482.db2.gz VFNIXWZLZVDXJN-HXUWFJFHSA-N 1 0 491.681 3.176 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@H]1CCC[N@@H+]1CC ZINC001305792093 1069305254 /nfs/dbraw/zinc/30/52/54/1069305254.db2.gz QMKURJYPENQNNZ-YADHBBJMSA-N 1 0 472.609 3.398 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305792841 1069306658 /nfs/dbraw/zinc/30/66/58/1069306658.db2.gz CDNXVPMWJZVASD-VQTJNVASSA-N 1 0 489.690 3.414 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(CC)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001305793564 1069309827 /nfs/dbraw/zinc/30/98/27/1069309827.db2.gz YTRLWRXSNFXYAA-RUZDIDTESA-N 1 0 456.635 3.312 20 0 JGADRO O=C1CN(c2nc(CN3CCCCC3)nc3scc(-c4cccs4)c32)CC2(CC[NH2+]CC2)N1 ZINC001164393792 718809600 /nfs/dbraw/zinc/80/96/00/718809600.db2.gz WRXWEUSITFYROO-UHFFFAOYSA-N 1 0 482.679 3.464 20 0 JGADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164390046 718823745 /nfs/dbraw/zinc/82/37/45/718823745.db2.gz LHIRYFVJMBFGJL-CVEARBPZSA-N 1 0 473.307 3.252 20 0 JGADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164401516 718857614 /nfs/dbraw/zinc/85/76/14/718857614.db2.gz FZQGGMLHZHSGRE-RLLQIKCJSA-N 1 0 477.609 3.053 20 0 JGADRO O=C1NCCN(C(F)(F)c2ccc(-c3nc(Cl)nc4sc5c(c43)CCC5)cc2)C12C[NH2+]C2 ZINC001164414372 718879582 /nfs/dbraw/zinc/87/95/82/718879582.db2.gz SEROSJZWPOAPJA-UHFFFAOYSA-N 1 0 475.952 3.324 20 0 JGADRO O=C(c1cccnc1N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164423736 718943950 /nfs/dbraw/zinc/94/39/50/718943950.db2.gz KBVHZPPVOMWBBT-IZZNHLLZSA-N 1 0 453.590 3.115 20 0 JGADRO Cc1nc2c(n1-c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)CC[NH2+]CC2 ZINC001164428274 718949159 /nfs/dbraw/zinc/94/91/59/718949159.db2.gz JDFUPWMSIHCMEK-UHFFFAOYSA-N 1 0 460.607 3.373 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164616033 719007445 /nfs/dbraw/zinc/00/74/45/719007445.db2.gz KHCHJYGMVBHGFD-RBJSKKJNSA-N 1 0 475.637 3.184 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001164620365 719008028 /nfs/dbraw/zinc/00/80/28/719008028.db2.gz YNRBQYPTXDHVFR-UFHPHHKVSA-N 1 0 475.637 3.184 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164614701 719017234 /nfs/dbraw/zinc/01/72/34/719017234.db2.gz GEPCALUDYNWOOF-OGWHTMIXSA-N 1 0 469.655 3.142 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164617093 719017370 /nfs/dbraw/zinc/01/73/70/719017370.db2.gz MBPQRPJTZRENMY-NEWSRXKRSA-N 1 0 469.655 3.286 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(C(=O)OC)c(Cl)n3)CC2)CC1 ZINC001164614039 719024011 /nfs/dbraw/zinc/02/40/11/719024011.db2.gz LYKPSWXZIDZHMX-UHFFFAOYSA-N 1 0 459.921 3.310 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(N(C)Cc4ccc(OC)cc4)n3)CC2)CC1 ZINC001164616410 719034152 /nfs/dbraw/zinc/03/41/52/719034152.db2.gz BLIDPLUNXGDHEP-UHFFFAOYSA-N 1 0 467.614 3.366 20 0 JGADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164633752 719138499 /nfs/dbraw/zinc/13/84/99/719138499.db2.gz SOWPRVYHZZPYGY-AWEZNQCLSA-N 1 0 450.795 3.312 20 0 JGADRO CN(C)C(=O)CN1CC[C@]2(C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2c2ccccc2)C1=O ZINC001164633713 719144745 /nfs/dbraw/zinc/14/47/45/719144745.db2.gz SMHDYTVNVARCGI-CJFMBICVSA-N 1 0 455.002 3.376 20 0 JGADRO Clc1nc2c(c(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)n1)CN(Cc1ccccc1)C2 ZINC001164640247 719267345 /nfs/dbraw/zinc/26/73/45/719267345.db2.gz RXNRXSQNVJFJHF-UHFFFAOYSA-N 1 0 474.956 3.408 20 0 JGADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12 ZINC001164654122 719319061 /nfs/dbraw/zinc/31/90/61/719319061.db2.gz OXGPPFWWSUNZTE-GEWUYGHSSA-N 1 0 487.604 3.350 20 0 JGADRO CCN1CCn2c(-c3ccccc3)c[nH+]c2C12CCN(c1[nH+]cnc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164664494 719347031 /nfs/dbraw/zinc/34/70/31/719347031.db2.gz VYKWLWGHUKXVEN-UHFFFAOYSA-N 1 0 471.565 3.391 20 0 JGADRO C[N@@H+]1CCO[C@H]2CN(c3ncnc4cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc43)C[C@@H]21 ZINC001164674329 719427713 /nfs/dbraw/zinc/42/77/13/719427713.db2.gz WHCDYXKMNUYMSD-PXNSSMCTSA-N 1 0 470.570 3.052 20 0 JGADRO Cc1nc(CN2C(=O)CCC23CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)cs1 ZINC001164683500 719594091 /nfs/dbraw/zinc/59/40/91/719594091.db2.gz GGOFGOKGFHXZAK-UHFFFAOYSA-N 1 0 455.628 3.483 20 0 JGADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)c2c1CC[NH2+]C2 ZINC001164683151 719612651 /nfs/dbraw/zinc/61/26/51/719612651.db2.gz HNLDVPMSSCDTNU-UHFFFAOYSA-N 1 0 452.006 3.317 20 0 JGADRO COc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1NC(C)C ZINC001164680245 719655063 /nfs/dbraw/zinc/65/50/63/719655063.db2.gz DKPVFAKCVWRSLJ-HXUWFJFHSA-N 1 0 480.657 3.399 20 0 JGADRO CN(C)c1nc(Cl)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680639 719656318 /nfs/dbraw/zinc/65/63/18/719656318.db2.gz GPYHZKRWMCRLJQ-GOSISDBHSA-N 1 0 471.049 3.289 20 0 JGADRO COc1cnc(Cl)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680996 719657755 /nfs/dbraw/zinc/65/77/55/719657755.db2.gz KWVSYILAMFTWLV-KRWDZBQOSA-N 1 0 458.006 3.232 20 0 JGADRO COC(=O)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680307 719662567 /nfs/dbraw/zinc/66/25/67/719662567.db2.gz FEQIGXOYFQIUBO-HXUWFJFHSA-N 1 0 464.610 3.270 20 0 JGADRO Cn1cnc2c1nc(Cl)nc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680369 719665031 /nfs/dbraw/zinc/66/50/31/719665031.db2.gz GBEHPBZFQBAOHL-KRWDZBQOSA-N 1 0 482.032 3.110 20 0 JGADRO COc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(SC)n1 ZINC001164680006 719667973 /nfs/dbraw/zinc/66/79/73/719667973.db2.gz AQDAJDKWPREERT-SFHVURJKSA-N 1 0 469.655 3.301 20 0 JGADRO COC(=O)c1cc(F)c(C)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686818 719668881 /nfs/dbraw/zinc/66/88/81/719668881.db2.gz XCJXVLKSOXHABT-IBGZPJMESA-N 1 0 482.600 3.409 20 0 JGADRO Cn1c(=O)ccc2ccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)nc21 ZINC001164684537 719669384 /nfs/dbraw/zinc/66/93/84/719669384.db2.gz UOEHUCFOTKYDCH-OAQYLSRUSA-N 1 0 473.621 3.027 20 0 JGADRO 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COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CN(C)CC3)CC2 ZINC001164712666 720154655 /nfs/dbraw/zinc/15/46/55/720154655.db2.gz ODYKTRHBADYGHM-LJQANCHMSA-N 1 0 457.022 3.020 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164716334 720156674 /nfs/dbraw/zinc/15/66/74/720156674.db2.gz ZKOFNNUDZKSMTA-UXHICEINSA-N 1 0 474.005 3.200 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164716469 720156771 /nfs/dbraw/zinc/15/67/71/720156771.db2.gz ZKOFNNUDZKSMTA-WOJBJXKFSA-N 1 0 474.005 3.200 20 0 JGADRO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)cc2C1 ZINC001164715125 720157956 /nfs/dbraw/zinc/15/79/56/720157956.db2.gz STIFOAVDGUQDAA-REWPJTCUSA-N 1 0 479.625 3.047 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001164818042 720158459 /nfs/dbraw/zinc/15/84/59/720158459.db2.gz RIXBDKYHXNYXLP-MZNJEOGPSA-N 1 0 456.591 3.490 20 0 JGADRO 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COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(N(C)Cc3ccc(OC)cc3)n1)C2 ZINC001164819198 720192393 /nfs/dbraw/zinc/19/23/93/720192393.db2.gz WLPVANXCMFGYIA-GJZUVCINSA-N 1 0 451.615 3.306 20 0 JGADRO Cn1nnc2c1CCN(c1cnc(Cl)nc1Oc1ccc(F)cc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714743 720198185 /nfs/dbraw/zinc/19/81/85/720198185.db2.gz HSHBTTZJIUIMDT-FQEVSTJZSA-N 1 0 487.967 3.406 20 0 JGADRO Cn1nnc2c1CCN(c1cnc(Cl)nc1Oc1cccc(F)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720083 720205267 /nfs/dbraw/zinc/20/52/67/720205267.db2.gz VTLUEWNILCFZTH-HXUWFJFHSA-N 1 0 487.967 3.406 20 0 JGADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cnc1Cl ZINC001164812769 720205992 /nfs/dbraw/zinc/20/59/92/720205992.db2.gz MHPXDTUWPUPJGK-FXAWDEMLSA-N 1 0 478.005 3.258 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CCC2 ZINC001164813382 720214518 /nfs/dbraw/zinc/21/45/18/720214518.db2.gz PAGXNHPBLGTSOK-UHFFFAOYSA-N 1 0 481.979 3.082 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CC1 ZINC001164826689 720302209 /nfs/dbraw/zinc/30/22/09/720302209.db2.gz WHEJUVMOVGZWSC-MSOLQXFVSA-N 1 0 483.007 3.187 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2ccn3Cc2ccccc2)CC1 ZINC001164833004 720322923 /nfs/dbraw/zinc/32/29/23/720322923.db2.gz VJOFXZVGUULTRT-ZEQRLZLVSA-N 1 0 458.610 3.391 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc(Oc3ccc(F)cc3)n2)CC1 ZINC001164824713 720326826 /nfs/dbraw/zinc/32/68/26/720326826.db2.gz CUYUTTKYODIGLD-MOPGFXCFSA-N 1 0 474.968 3.368 20 0 JGADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833404 720327876 /nfs/dbraw/zinc/32/78/76/720327876.db2.gz WTWXJRNAUYJSTE-GOTSBHOMSA-N 1 0 450.583 3.323 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC1 ZINC001164830877 720333041 /nfs/dbraw/zinc/33/30/41/720333041.db2.gz QGHQZVDKALRIGF-HUUCEWRRSA-N 1 0 462.372 3.326 20 0 JGADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164830866 720335641 /nfs/dbraw/zinc/33/56/41/720335641.db2.gz QEGGSAWBDUJSSB-SFTDATJTSA-N 1 0 486.016 3.371 20 0 JGADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164726584 720341790 /nfs/dbraw/zinc/34/17/90/720341790.db2.gz PVPPWOSJXFTFSL-DHIUTWEWSA-N 1 0 474.590 3.225 20 0 JGADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001164726585 720342706 /nfs/dbraw/zinc/34/27/06/720342706.db2.gz PVPPWOSJXFTFSL-GOTSBHOMSA-N 1 0 474.590 3.225 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC001164825727 720342960 /nfs/dbraw/zinc/34/29/60/720342960.db2.gz JMPWWPWYWHPVTC-HZPDHXFCSA-N 1 0 452.937 3.068 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C(=O)OCc3ccccc3)cn2)CC1 ZINC001164830008 720343309 /nfs/dbraw/zinc/34/33/09/720343309.db2.gz USMXXSIHSYUMKR-DNQXCXABSA-N 1 0 462.594 3.350 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)COC(=O)Nc2cccnc2Cl)CC1 ZINC001164826630 720351601 /nfs/dbraw/zinc/35/16/01/720351601.db2.gz KNXJKYVTGZTNAM-QZTJIDSGSA-N 1 0 485.963 3.283 20 0 JGADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1S(=O)(=O)c1ccccc1 ZINC001164722595 720352663 /nfs/dbraw/zinc/35/26/63/720352663.db2.gz FMLJACSPBMHTSG-PKTZIBPZSA-N 1 0 474.590 3.225 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)COC(=O)Nc2ccc(Cl)nc2)CC1 ZINC001164828403 720354762 /nfs/dbraw/zinc/35/47/62/720354762.db2.gz ORCQJUORHMSLSK-QZTJIDSGSA-N 1 0 485.963 3.283 20 0 JGADRO COc1cc2c[nH+]c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CCN4C)cc2cc1OC ZINC001164820353 720380500 /nfs/dbraw/zinc/38/05/00/720380500.db2.gz ODXDIBLSLCEOPU-UHFFFAOYSA-N 1 0 481.622 3.330 20 0 JGADRO O=C(c1cccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731370 720406903 /nfs/dbraw/zinc/40/69/03/720406903.db2.gz ZHJGQGFYUHLLLA-SVBPBHIXSA-N 1 0 482.632 3.288 20 0 JGADRO O=C(c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731365 720407901 /nfs/dbraw/zinc/40/79/01/720407901.db2.gz ZHJGQGFYUHLLLA-KAYWLYCHSA-N 1 0 482.632 3.288 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)nc1 ZINC001164834837 720479731 /nfs/dbraw/zinc/47/97/31/720479731.db2.gz VTTHOGJYXBIXSP-ILBGXUMGSA-N 1 0 482.673 3.205 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840579 720518775 /nfs/dbraw/zinc/51/87/75/720518775.db2.gz WJRPHCYRHBLHNK-IXDOHACOSA-N 1 0 453.969 3.315 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837136 720519710 /nfs/dbraw/zinc/51/97/10/720519710.db2.gz NVPNOIAREYEYIB-CEXWTWQISA-N 1 0 496.006 3.086 20 0 JGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)C1 ZINC001164734307 720529879 /nfs/dbraw/zinc/52/98/79/720529879.db2.gz PFFGBGBOPGEZPW-INIZCTEOSA-N 1 0 460.611 3.422 20 0 JGADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001164735299 720543875 /nfs/dbraw/zinc/54/38/75/720543875.db2.gz OGNVMRLKDHCDFX-HNNXBMFYSA-N 1 0 459.969 3.028 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(c3c(Cl)nc(N4CCOCC4)nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835531 720557898 /nfs/dbraw/zinc/55/78/98/720557898.db2.gz HTAJRUKXWSSIED-OKZBNKHCSA-N 1 0 480.444 3.194 20 0 JGADRO Cc1cc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc(N3CCOCC3)c2s1 ZINC001164839676 720564735 /nfs/dbraw/zinc/56/47/35/720564735.db2.gz RJVNEWKKMBAGKO-JAXLGGSGSA-N 1 0 481.670 3.411 20 0 JGADRO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2cc1OC(C)=O ZINC001164835415 720576484 /nfs/dbraw/zinc/57/64/84/720576484.db2.gz HDFFAMBGFNMBQS-ZRCGQRJVSA-N 1 0 492.580 3.055 20 0 JGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(CO)ccc3NC(=O)C(C)(C)C)CC[C@@H]21 ZINC001164843579 720576983 /nfs/dbraw/zinc/57/69/83/720576983.db2.gz YHTZIMVSCNJRFF-VCOUNFBDSA-N 1 0 454.619 3.133 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843577 720577557 /nfs/dbraw/zinc/57/75/57/720577557.db2.gz YHTZIMVSCNJRFF-KAGYGMCKSA-N 1 0 454.619 3.133 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(CO)ccc3NC(=O)C(C)(C)C)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843578 720578009 /nfs/dbraw/zinc/57/80/09/720578009.db2.gz YHTZIMVSCNJRFF-RCZSKKKRSA-N 1 0 454.619 3.133 20 0 JGADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164736314 720579082 /nfs/dbraw/zinc/57/90/82/720579082.db2.gz HYSUPNNYHJIZFJ-UHFFFAOYSA-N 1 0 454.962 3.315 20 0 JGADRO COc1ccc(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)c(OC)c1OC ZINC001164736474 720591507 /nfs/dbraw/zinc/59/15/07/720591507.db2.gz LAARQSLSVRIPDM-UHFFFAOYSA-N 1 0 464.570 3.024 20 0 JGADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)CC[C@@H]21 ZINC001164835243 720607718 /nfs/dbraw/zinc/60/77/18/720607718.db2.gz ATZXMTYFLSNHTA-AFESJLNVSA-N 1 0 486.668 3.378 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(N4CCN(c5ccccc5)CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835247 720608003 /nfs/dbraw/zinc/60/80/03/720608003.db2.gz ATZXMTYFLSNHTA-AYRHNUGRSA-N 1 0 486.668 3.378 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCN(c5ccccc5)CC4)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842240 720626436 /nfs/dbraw/zinc/62/64/36/720626436.db2.gz UVCNLGBSAHJRQO-DMTNHVFBSA-N 1 0 486.668 3.378 20 0 JGADRO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164742674 720688079 /nfs/dbraw/zinc/68/80/79/720688079.db2.gz WHTRCPRFWJNZNC-VXKWHMMOSA-N 1 0 451.534 3.338 20 0 JGADRO COC(=O)c1cc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)cnc1Cl ZINC001164844041 720742691 /nfs/dbraw/zinc/74/26/91/720742691.db2.gz OGDHMIXIBLRIGR-UHFFFAOYSA-N 1 0 488.926 3.424 20 0 JGADRO Cc1sc2nc(CN3CCCC3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164737854 720762444 /nfs/dbraw/zinc/76/24/44/720762444.db2.gz DCRYEZOVVLGDNB-MOPGFXCFSA-N 1 0 465.627 3.036 20 0 JGADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741789 720762748 /nfs/dbraw/zinc/76/27/48/720762748.db2.gz MZSTZOUTKRGDLI-YADHBBJMSA-N 1 0 455.566 3.228 20 0 JGADRO c1ncc(O[C@@H]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)CC[N@@H+]3C2)cn1 ZINC001164738614 720763358 /nfs/dbraw/zinc/76/33/58/720763358.db2.gz GIVGRAXOVUMQNG-RBUKOAKNSA-N 1 0 491.665 3.298 20 0 JGADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740951 720764413 /nfs/dbraw/zinc/76/44/13/720764413.db2.gz LNOZFBQQOOKLCV-OALUTQOASA-N 1 0 467.643 3.282 20 0 JGADRO c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)cn1 ZINC001164741853 720765057 /nfs/dbraw/zinc/76/50/57/720765057.db2.gz NDETZTPBLYZWCB-RTBURBONSA-N 1 0 491.665 3.298 20 0 JGADRO COc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164751943 720803978 /nfs/dbraw/zinc/80/39/78/720803978.db2.gz YHSCPGYXRDICBX-CRAIPNDOSA-N 1 0 454.918 3.063 20 0 JGADRO COc1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164746118 720809349 /nfs/dbraw/zinc/80/93/49/720809349.db2.gz LUQWBGYJMFQGIP-LLGFUMIMSA-N 1 0 453.978 3.263 20 0 JGADRO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164749229 720809913 /nfs/dbraw/zinc/80/99/13/720809913.db2.gz SLSUKMSPCUAROI-CEXWTWQISA-N 1 0 481.626 3.147 20 0 JGADRO FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752140 720811450 /nfs/dbraw/zinc/81/14/50/720811450.db2.gz YWGZZKHJOHHNGC-OFQRWUPVSA-N 1 0 458.344 3.299 20 0 JGADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164742332 720813718 /nfs/dbraw/zinc/81/37/18/720813718.db2.gz CUBJWBBMWRITPP-WAOWUJCRSA-N 1 0 481.988 3.041 20 0 JGADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164742330 720814172 /nfs/dbraw/zinc/81/41/72/720814172.db2.gz CUBJWBBMWRITPP-LVCYWYKZSA-N 1 0 481.988 3.041 20 0 JGADRO Clc1cc(-c2ccncc2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164743794 720815399 /nfs/dbraw/zinc/81/53/99/720815399.db2.gz SKBBLSWFJPDGTB-QKNQBKEWSA-N 1 0 450.978 3.163 20 0 JGADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164746215 720819336 /nfs/dbraw/zinc/81/93/36/720819336.db2.gz YLQBSWRVPGHVSH-XYJFISCASA-N 1 0 480.947 3.037 20 0 JGADRO FC(F)(COc1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742156 720826617 /nfs/dbraw/zinc/82/66/17/720826617.db2.gz QAQMZFPZMFDXIW-JENIJYKNSA-N 1 0 452.937 3.173 20 0 JGADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)OCC ZINC001164742856 720829149 /nfs/dbraw/zinc/82/91/49/720829149.db2.gz RANOILJGTGQEPA-SFHLNBCPSA-N 1 0 490.052 3.043 20 0 JGADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746122 720829465 /nfs/dbraw/zinc/82/94/65/720829465.db2.gz XZAZHWYCPZXYQB-LVCYWYKZSA-N 1 0 481.988 3.041 20 0 JGADRO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2cc1OC ZINC001164739666 720829951 /nfs/dbraw/zinc/82/99/51/720829951.db2.gz HZVQOKBQGXCRBS-SQGPQFPESA-N 1 0 484.004 3.271 20 0 JGADRO O=C(Nc1ccccc1)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164745136 720830145 /nfs/dbraw/zinc/83/01/45/720830145.db2.gz WPWBPOKMQRBRDX-QPTUXGOLSA-N 1 0 457.582 3.305 20 0 JGADRO COc1cc2c(cc1Cl)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744087 720830310 /nfs/dbraw/zinc/83/03/10/720830310.db2.gz UEEQQRCKFDDTTB-CBGDNZLLSA-N 1 0 453.978 3.263 20 0 JGADRO Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739995 720833717 /nfs/dbraw/zinc/83/37/17/720833717.db2.gz BKUVDGBRTSXGJC-BHIFYINESA-N 1 0 456.038 3.302 20 0 JGADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164750294 720833779 /nfs/dbraw/zinc/83/37/79/720833779.db2.gz XAWVAVUNKZDPSS-QWFCFKBJSA-N 1 0 458.994 3.191 20 0 JGADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164751099 720834246 /nfs/dbraw/zinc/83/42/46/720834246.db2.gz YMTVUADPQXOIQW-KZNAEPCWSA-N 1 0 480.947 3.037 20 0 JGADRO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH]c(C)c(C)c-2n1 ZINC001164741132 720835311 /nfs/dbraw/zinc/83/53/11/720835311.db2.gz DDHBWHUWRNMAPC-TXTKFYIRSA-N 1 0 477.613 3.327 20 0 JGADRO Fc1ccc(Oc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cc1 ZINC001164746581 720836358 /nfs/dbraw/zinc/83/63/58/720836358.db2.gz OTNRTKDGKFZMDG-YVWKXTFCSA-N 1 0 484.967 3.427 20 0 JGADRO COc1cccc(Oc2cncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)c1 ZINC001164747376 720839596 /nfs/dbraw/zinc/83/95/96/720839596.db2.gz QJAZIVFNGINXPF-ZRCGQRJVSA-N 1 0 461.570 3.248 20 0 JGADRO 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475.005 3.441 20 0 JGADRO COCc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccccc2)n1 ZINC001164890918 721386190 /nfs/dbraw/zinc/38/61/90/721386190.db2.gz PICOSRBYXZXMQP-BVAGGSTKSA-N 1 0 451.615 3.055 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893590 721387640 /nfs/dbraw/zinc/38/76/40/721387640.db2.gz VPBUBQJPVKUYKX-KSSFIOAISA-N 1 0 450.361 3.094 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164894436 721393624 /nfs/dbraw/zinc/39/36/24/721393624.db2.gz XWBWJXDOBUBHBK-WNCULLNHSA-N 1 0 498.071 3.430 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C3)O2)CC1 ZINC001164891844 721398252 /nfs/dbraw/zinc/39/82/52/721398252.db2.gz QQDIUZQWDLALFF-HFZDXXHNSA-N 1 0 496.059 3.293 20 0 JGADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883524 721404345 /nfs/dbraw/zinc/40/43/45/721404345.db2.gz ANNITCTYIFUMQB-DFBJGRDBSA-N 1 0 485.654 3.147 20 0 JGADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883523 721404352 /nfs/dbraw/zinc/40/43/52/721404352.db2.gz ANNITCTYIFUMQB-CLOONOSVSA-N 1 0 485.654 3.147 20 0 JGADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883970 721407622 /nfs/dbraw/zinc/40/76/22/721407622.db2.gz CTUQUBBNPNAXDZ-BVZFJXPGSA-N 1 0 488.032 3.225 20 0 JGADRO CCOc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2cc1OCC ZINC001164892584 721412188 /nfs/dbraw/zinc/41/21/88/721412188.db2.gz YWKZEJWMQBEMHB-RXFWQSSRSA-N 1 0 469.630 3.193 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5Cc4cccc(F)c4)C3)O2)CC1 ZINC001164885276 721416051 /nfs/dbraw/zinc/41/60/51/721416051.db2.gz GNASEHRVPZXMFT-WNCULLNHSA-N 1 0 478.616 3.384 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5Cc4cccc(F)c4)C3)O2)CC1 ZINC001164885272 721416515 /nfs/dbraw/zinc/41/65/15/721416515.db2.gz GNASEHRVPZXMFT-HOFKKMOUSA-N 1 0 478.616 3.384 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164892960 721417170 /nfs/dbraw/zinc/41/71/70/721417170.db2.gz ZLJFERQSAPTMME-HOFKKMOUSA-N 1 0 460.626 3.245 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4C(=O)NC(C)(C)C)C3)O2)CC1 ZINC001164885879 721417858 /nfs/dbraw/zinc/41/78/58/721417858.db2.gz HTKHQENSAMIPQA-HOYKHHGWSA-N 1 0 464.054 3.029 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Oc5cccc(F)c5)n4)C3)O2)CC1 ZINC001164887248 721422634 /nfs/dbraw/zinc/42/26/34/721422634.db2.gz LQGZKBLEDDSEAN-AUSIDOKSSA-N 1 0 476.984 3.222 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164899502 721426298 /nfs/dbraw/zinc/42/62/98/721426298.db2.gz YSGCOGJCJMDBKE-RCZVLFRGSA-N 1 0 456.034 3.486 20 0 JGADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)n1 ZINC001164892185 721429889 /nfs/dbraw/zinc/42/98/89/721429889.db2.gz HRJPYIFUOWBPQJ-HTAPYJJXSA-N 1 0 486.991 3.222 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C3)O2)CC1 ZINC001164898222 721431013 /nfs/dbraw/zinc/43/10/13/721431013.db2.gz VMQJTRFXAOLKEB-CJAUYULYSA-N 1 0 485.633 3.070 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c(Cl)nccc54)C3)O2)CC1 ZINC001164893763 721431461 /nfs/dbraw/zinc/43/14/61/721431461.db2.gz KISDQPMATQSXFB-YCRPNKLZSA-N 1 0 451.402 3.097 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5ccccc5nc4N4CCCCC4)C3)O2)CC1 ZINC001164899347 721431893 /nfs/dbraw/zinc/43/18/93/721431893.db2.gz YHVXHIVMQCGTSM-CUNXSJBXSA-N 1 0 464.658 3.386 20 0 JGADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1C ZINC001164899193 721433275 /nfs/dbraw/zinc/43/32/75/721433275.db2.gz YCYOPHHXWCCVTG-CLOONOSVSA-N 1 0 487.670 3.250 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C3)O2)CC1 ZINC001164892154 721440286 /nfs/dbraw/zinc/44/02/86/721440286.db2.gz HMHVGCHTZLINMX-AJTFRIOCSA-N 1 0 479.625 3.070 20 0 JGADRO COc1ccc(Oc2cc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc(C)n2)cc1 ZINC001164892989 721445839 /nfs/dbraw/zinc/44/58/39/721445839.db2.gz INHCJTCZKPICSB-OZXSUGGESA-N 1 0 467.614 3.351 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(C(=O)OC(C)(C)C)cc4Cl)C3)O2)CC1 ZINC001164898799 721446845 /nfs/dbraw/zinc/44/68/45/721446845.db2.gz XOIKGLCTMKKMJL-CYFREDJKSA-N 1 0 465.038 3.456 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cncc(OCc5cccc(Cl)c5)n4)C3)O2)CC1 ZINC001164884948 721447974 /nfs/dbraw/zinc/44/79/74/721447974.db2.gz CZNFYEPKMYBXEK-RCZVLFRGSA-N 1 0 472.033 3.474 20 0 JGADRO CCOC(=O)/C=C/c1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788730 721451506 /nfs/dbraw/zinc/45/15/06/721451506.db2.gz TVOONRLGJJATCJ-UPWIVDSGSA-N 1 0 457.615 3.392 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(Cl)(Cl)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164888991 721452796 /nfs/dbraw/zinc/45/27/96/721452796.db2.gz MWLUVHHTAKIBKP-PKOBYXMFSA-N 1 0 463.837 3.464 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164785058 721453494 /nfs/dbraw/zinc/45/34/94/721453494.db2.gz GHUYXMXDCCYMAT-JOCHJYFZSA-N 1 0 468.598 3.150 20 0 JGADRO Cc1nc(CN2CC[C@]3(CCCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2=O)cs1 ZINC001164887138 721461703 /nfs/dbraw/zinc/46/17/03/721461703.db2.gz IXFIQSUIGVTPSZ-DEOSSOPVSA-N 1 0 455.628 3.340 20 0 JGADRO CCOC(=O)/C=C/c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164782731 721462961 /nfs/dbraw/zinc/46/29/61/721462961.db2.gz BFYNOOSEZRUBDV-ISGGHPHESA-N 1 0 457.615 3.392 20 0 JGADRO CCOC(=O)/C=C\c1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164782729 721463191 /nfs/dbraw/zinc/46/31/91/721463191.db2.gz BFYNOOSEZRUBDV-HKPHNFCXSA-N 1 0 457.615 3.392 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164787232 721471874 /nfs/dbraw/zinc/47/18/74/721471874.db2.gz DMRJNRFLYMSINB-WOJBJXKFSA-N 1 0 481.037 3.032 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164786424 721473139 /nfs/dbraw/zinc/47/31/39/721473139.db2.gz BFUUWOFNQPWFID-HKUYNNGSSA-N 1 0 481.037 3.140 20 0 JGADRO COC(=O)C1CCN(c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nn2)CC1 ZINC001164795499 721497029 /nfs/dbraw/zinc/49/70/29/721497029.db2.gz JGRWBJPZKCVMSA-UHFFFAOYSA-N 1 0 464.614 3.142 20 0 JGADRO COC(=O)C1CCN(c2nccnc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001164795058 721497797 /nfs/dbraw/zinc/49/77/97/721497797.db2.gz BXVRJHDLDOANFS-UHFFFAOYSA-N 1 0 464.614 3.142 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164900263 721512639 /nfs/dbraw/zinc/51/26/39/721512639.db2.gz PGIWVLNQZIJBOU-GDBMZVCRSA-N 1 0 470.879 3.333 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(OCc4ccccc4)cc2Cl)CC3)CC1 ZINC001164798287 721517065 /nfs/dbraw/zinc/51/70/65/721517065.db2.gz RVLCKVLDWCDMIC-UHFFFAOYSA-N 1 0 452.990 3.278 20 0 JGADRO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164797147 721518614 /nfs/dbraw/zinc/51/86/14/721518614.db2.gz HDXCDYUPGONGBC-UHFFFAOYSA-N 1 0 470.625 3.061 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(-c4cccs4)nnc2Cl)CC3)CC1 ZINC001164796766 721519226 /nfs/dbraw/zinc/51/92/26/721519226.db2.gz CBTHRADBOVKYMD-UHFFFAOYSA-N 1 0 479.988 3.368 20 0 JGADRO CCc1ccc(Oc2nc(Cl)ncc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cc1 ZINC001164794777 721522079 /nfs/dbraw/zinc/52/20/79/721522079.db2.gz HPPTZRQFACTLCB-UHFFFAOYSA-N 1 0 468.005 3.449 20 0 JGADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905795 721548520 /nfs/dbraw/zinc/54/85/20/721548520.db2.gz IHRWJENKHQSSNX-RXVVDRJESA-N 1 0 484.553 3.153 20 0 JGADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164911559 721550728 /nfs/dbraw/zinc/55/07/28/721550728.db2.gz XJPOSWYGVKNYJH-IRLDBZIGSA-N 1 0 493.564 3.149 20 0 JGADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164904187 721556004 /nfs/dbraw/zinc/55/60/04/721556004.db2.gz DGHCATDFOXCCCD-FBBABVLZSA-N 1 0 462.591 3.030 20 0 JGADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164904190 721556259 /nfs/dbraw/zinc/55/62/59/721556259.db2.gz DGHCATDFOXCCCD-HFSMHLIXSA-N 1 0 462.591 3.030 20 0 JGADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907242 721556344 /nfs/dbraw/zinc/55/63/44/721556344.db2.gz MYLRPCPDDRUIQR-UYAOXDASSA-N 1 0 462.591 3.030 20 0 JGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164911031 721556451 /nfs/dbraw/zinc/55/64/51/721556451.db2.gz YEDTXYJTPNFEAG-FYYLOGMGSA-N 1 0 492.574 3.423 20 0 JGADRO O=C(Nc1nncs1)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164911466 721557565 /nfs/dbraw/zinc/55/75/65/721557565.db2.gz ZETZLMZTAZVHSI-WBVHZDCISA-N 1 0 474.949 3.320 20 0 JGADRO 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JGADRO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(F)(F)C1)[NH+]1CCCC1 ZINC001305816250 1069349707 /nfs/dbraw/zinc/34/97/07/1069349707.db2.gz RKXKFLYGTAYDJN-QGZVFWFLSA-N 1 0 453.559 3.068 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCCC1 ZINC001305816445 1069350334 /nfs/dbraw/zinc/35/03/34/1069350334.db2.gz SVEKZBWJDQUDJR-SBUREZEXSA-N 1 0 461.010 3.183 20 0 JGADRO CC[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC001305820352 1069356118 /nfs/dbraw/zinc/35/61/18/1069356118.db2.gz CQPALPZMYHBRIW-HXUWFJFHSA-N 1 0 468.627 3.254 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001305817463 1069351831 /nfs/dbraw/zinc/35/18/31/1069351831.db2.gz YLOLVCWNBSMIMR-RBBKRZOGSA-N 1 0 489.686 3.474 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCCC1 ZINC001305822555 1069358842 /nfs/dbraw/zinc/35/88/42/1069358842.db2.gz LQIIPLVUMYTLBT-RBUKOAKNSA-N 1 0 471.602 3.226 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305822591 1069359054 /nfs/dbraw/zinc/35/90/54/1069359054.db2.gz LUMHVFSODRINKS-OALUTQOASA-N 1 0 486.617 3.114 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001305826402 1069365847 /nfs/dbraw/zinc/36/58/47/1069365847.db2.gz HLBVNKIKTHKWKR-NHCUHLMSSA-N 1 0 499.660 3.253 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001305825920 1069364784 /nfs/dbraw/zinc/36/47/84/1069364784.db2.gz CPTIAXWXWABCCH-FPOVZHCZSA-N 1 0 497.669 3.368 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CC(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC001305826756 1069366341 /nfs/dbraw/zinc/36/63/41/1069366341.db2.gz KKBNSKBAABFAEW-SIKLNZKXSA-N 1 0 461.614 3.186 20 0 JGADRO CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305837362 1069381102 /nfs/dbraw/zinc/38/11/02/1069381102.db2.gz SNUCQDOARMMCBW-VQTJNVASSA-N 1 0 476.666 3.492 20 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CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1)[NH+]1CCCC1 ZINC001305850366 1069402879 /nfs/dbraw/zinc/40/28/79/1069402879.db2.gz ZDSMWLUMXYUNPT-HFZDXXHNSA-N 1 0 468.646 3.311 20 0 JGADRO CC[C@H](Cn1c(N2CC[NH+](C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)NC(=O)OC(C)(C)C ZINC001305850900 1069404155 /nfs/dbraw/zinc/40/41/55/1069404155.db2.gz VIWQAYHNGLJBNT-NLFFAJNJSA-N 1 0 494.681 3.152 20 0 JGADRO CCC(O)(CC)Cn1c(-c2cnn(C)c2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305855851 1069410245 /nfs/dbraw/zinc/41/02/45/1069410245.db2.gz YXYNTMBYJPTCQX-UHFFFAOYSA-N 1 0 451.619 3.331 20 0 JGADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001305856980 1069411034 /nfs/dbraw/zinc/41/10/34/1069411034.db2.gz YPYMXYDINCZMHA-BAILOTOSSA-N 1 0 453.674 3.078 20 0 JGADRO CC[C@]1(C)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001305870585 1069425169 /nfs/dbraw/zinc/42/51/69/1069425169.db2.gz WUZUBXIBHJHFQM-PXDATVDWSA-N 1 0 454.619 3.039 20 0 JGADRO 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CN(CCN1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001298728883 1064543009 /nfs/dbraw/zinc/54/30/09/1064543009.db2.gz CAXFDNOACRDOTH-DEOSSOPVSA-N 1 0 495.647 3.253 20 0 JGADRO CN(CCN1CCOC(C)(C)C1)c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCCC1 ZINC001298729124 1064543403 /nfs/dbraw/zinc/54/34/03/1064543403.db2.gz GBJCFVYRZJJMDE-UHFFFAOYSA-N 1 0 458.626 3.041 20 0 JGADRO CN(CCN1CCOCC1)c1nnc(-c2cccnc2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001298737146 1064551550 /nfs/dbraw/zinc/55/15/50/1064551550.db2.gz ONNVSCUUVKSAPF-JOCHJYFZSA-N 1 0 470.021 3.065 20 0 JGADRO CN(CCN1CCOCC1)c1nnc(Cc2ccsc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001298739085 1064554256 /nfs/dbraw/zinc/55/42/56/1064554256.db2.gz XZHQGVYPFPVKNG-HXUWFJFHSA-N 1 0 460.673 3.063 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001298748359 1064559913 /nfs/dbraw/zinc/55/99/13/1064559913.db2.gz OQNBGOSNZWCFOG-UHFFFAOYSA-N 1 0 478.707 3.127 20 0 JGADRO 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C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2ccc(Cn3ccnn3)o2)CC1 ZINC001298821372 1064622953 /nfs/dbraw/zinc/62/29/53/1064622953.db2.gz KXVFYWOGZIYHDJ-UHFFFAOYSA-N 1 0 458.360 3.419 20 0 JGADRO Cn1cccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CC=CCC1 ZINC001298852388 1064654917 /nfs/dbraw/zinc/65/49/17/1064654917.db2.gz IKJWIPGRCSQHLO-NRFANRHFSA-N 1 0 452.525 3.075 20 0 JGADRO Cn1cccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001298861772 1064665581 /nfs/dbraw/zinc/66/55/81/1064665581.db2.gz NNJDHCMJEGXKGC-UHFFFAOYSA-N 1 0 484.670 3.294 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(F)(F)CC2)C1 ZINC001298878735 1064684014 /nfs/dbraw/zinc/68/40/14/1064684014.db2.gz LSBKCZRXUZRFOT-GOSISDBHSA-N 1 0 474.325 3.149 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)C1 ZINC001298878749 1064684199 /nfs/dbraw/zinc/68/41/99/1064684199.db2.gz LXCNDQCBHXCLGY-DNQXCXABSA-N 1 0 479.572 3.255 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccc(Br)s3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)C1 ZINC001298879969 1064685736 /nfs/dbraw/zinc/68/57/36/1064685736.db2.gz TUJQISDIUYOEOH-SFTDATJTSA-N 1 0 498.491 3.477 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298880935 1064686756 /nfs/dbraw/zinc/68/67/56/1064686756.db2.gz YEAFKVDPAMCNBD-DVECYGJZSA-N 1 0 491.036 3.159 20 0 JGADRO CN(C[C@H]1CCCOC1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298881225 1064687567 /nfs/dbraw/zinc/68/75/67/1064687567.db2.gz DIODNUFKUKXAAS-VGOFRKELSA-N 1 0 466.051 3.153 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001298885234 1064691243 /nfs/dbraw/zinc/69/12/43/1064691243.db2.gz HXGYICCCQDUSKC-QGZVFWFLSA-N 1 0 471.547 3.416 20 0 JGADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCSc2ccccc2)CC1 ZINC001298885680 1064692194 /nfs/dbraw/zinc/69/21/94/1064692194.db2.gz ATVRHCDRFKXJOY-HXUWFJFHSA-N 1 0 456.660 3.111 20 0 JGADRO C[C@@H]1[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@@H+]1Cc1ccccc1 ZINC001298885983 1064692857 /nfs/dbraw/zinc/69/28/57/1064692857.db2.gz HQRVTAGCLTWCGG-ZBFHGGJFSA-N 1 0 450.402 3.362 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001298886317 1064693815 /nfs/dbraw/zinc/69/38/15/1064693815.db2.gz FNJCQTWLSSAABF-YADHBBJMSA-N 1 0 452.647 3.276 20 0 JGADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(C)(F)F)CC1 ZINC001298886165 1064694018 /nfs/dbraw/zinc/69/40/18/1064694018.db2.gz DQGPQPKBJKZAGW-LJQANCHMSA-N 1 0 496.990 3.299 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298886812 1064695717 /nfs/dbraw/zinc/69/57/17/1064695717.db2.gz HNLGJYLFTRSGPT-IBGZPJMESA-N 1 0 465.689 3.064 20 0 JGADRO CN(CCCOCc1ccccc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298887999 1064697423 /nfs/dbraw/zinc/69/74/23/1064697423.db2.gz ZMPWQHQGSVJALG-AZSVPQILSA-N 1 0 485.673 3.306 20 0 JGADRO C[N@@H+]1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)CC1(C)C ZINC001298898159 1064704539 /nfs/dbraw/zinc/70/45/39/1064704539.db2.gz SWGBTLMLGXLOON-MRXNPFEDSA-N 1 0 457.450 3.097 20 0 JGADRO C[N@@H+]1CCN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC001298899156 1064704849 /nfs/dbraw/zinc/70/48/49/1064704849.db2.gz ZXTVHISZYIEDBT-FQEVSTJZSA-N 1 0 460.692 3.208 20 0 JGADRO C[N@@H+]1CCN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001298899162 1064705355 /nfs/dbraw/zinc/70/53/55/1064705355.db2.gz ZXTVHISZYIEDBT-HXUWFJFHSA-N 1 0 460.692 3.208 20 0 JGADRO CNC(=O)C(C)(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001298914705 1064713981 /nfs/dbraw/zinc/71/39/81/1064713981.db2.gz CCBYHIRFHNJGNT-QZTJIDSGSA-N 1 0 493.052 3.001 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001298938670 1064732829 /nfs/dbraw/zinc/73/28/29/1064732829.db2.gz CKTGYIYMFFDVRL-UHFFFAOYSA-N 1 0 468.646 3.104 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001298942584 1064734874 /nfs/dbraw/zinc/73/48/74/1064734874.db2.gz SCVDJBVRIYTFRJ-OAQYLSRUSA-N 1 0 475.641 3.137 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001298943446 1064736492 /nfs/dbraw/zinc/73/64/92/1064736492.db2.gz GRUZHWARZCOQLE-UHFFFAOYSA-N 1 0 468.646 3.127 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001298952743 1064743901 /nfs/dbraw/zinc/74/39/01/1064743901.db2.gz GDEAAIYHHMVDPT-AABGKKOBSA-N 1 0 474.625 3.496 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@H+]1CC=CCC1 ZINC001298952537 1064744094 /nfs/dbraw/zinc/74/40/94/1064744094.db2.gz DSCPUJXPPQWMOE-CTNGQTDRSA-N 1 0 454.619 3.115 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(Br)c2)n1CC(C)(C)C[NH+](C)C ZINC001298955286 1064747053 /nfs/dbraw/zinc/74/70/53/1064747053.db2.gz IMRGRVMYHWBTDX-HNNXBMFYSA-N 1 0 465.440 3.114 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001298962643 1064749941 /nfs/dbraw/zinc/74/99/41/1064749941.db2.gz AWCCQDUMQMGGED-CABCVRRESA-N 1 0 483.480 3.319 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001298965467 1064753460 /nfs/dbraw/zinc/75/34/60/1064753460.db2.gz GLSGREKTQJUYDB-BRWVUGGUSA-N 1 0 495.043 3.444 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCCC1 ZINC001298966121 1064755339 /nfs/dbraw/zinc/75/53/39/1064755339.db2.gz LHLLLUUJSVDSPO-HNNXBMFYSA-N 1 0 450.990 3.430 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001298966495 1064755798 /nfs/dbraw/zinc/75/57/98/1064755798.db2.gz MHQCAYNQWBISTJ-SEPYTNNBSA-N 1 0 462.042 3.322 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001298968361 1064758972 /nfs/dbraw/zinc/75/89/72/1064758972.db2.gz YDYJMCGXAVISNM-MSOLQXFVSA-N 1 0 462.042 3.466 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001298979844 1064766619 /nfs/dbraw/zinc/76/66/19/1064766619.db2.gz ZDOUDYBZCUUFQU-WMZHIEFXSA-N 1 0 491.640 3.313 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001298979842 1064766818 /nfs/dbraw/zinc/76/68/18/1064766818.db2.gz ZDOUDYBZCUUFQU-AUSIDOKSSA-N 1 0 491.640 3.313 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001298982287 1064768155 /nfs/dbraw/zinc/76/81/55/1064768155.db2.gz GYAOIPMHOQQYDI-GOSISDBHSA-N 1 0 491.080 3.230 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001298981198 1064768178 /nfs/dbraw/zinc/76/81/78/1064768178.db2.gz CHEUEWCNXIKKCX-SFHVURJKSA-N 1 0 479.604 3.178 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001298984428 1064769579 /nfs/dbraw/zinc/76/95/79/1064769579.db2.gz SECAZJISVYLLHQ-MZYLBHOOSA-N 1 0 468.646 3.136 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001298988826 1064772032 /nfs/dbraw/zinc/77/20/32/1064772032.db2.gz FUZQZTUTUAWBLR-OXQOHEQNSA-N 1 0 458.607 3.191 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(CC2CCCC2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001298993133 1064776165 /nfs/dbraw/zinc/77/61/65/1064776165.db2.gz QNCAKXDNCXTFOT-HXUWFJFHSA-N 1 0 474.694 3.253 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[NH+]1CCC(C)CC1 ZINC001298994269 1064776692 /nfs/dbraw/zinc/77/66/92/1064776692.db2.gz WDFQPQXDWHSODU-FQEVSTJZSA-N 1 0 465.646 3.291 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001299000110 1064779519 /nfs/dbraw/zinc/77/95/19/1064779519.db2.gz NWRCENPCRMFCJW-UEVCKROQSA-N 1 0 497.688 3.327 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001299002762 1064782160 /nfs/dbraw/zinc/78/21/60/1064782160.db2.gz NLDLJZUVSPNYCR-VQTJNVASSA-N 1 0 458.676 3.429 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001299003289 1064782645 /nfs/dbraw/zinc/78/26/45/1064782645.db2.gz RYWTWHAMKKAFFX-QIJUGHKUSA-N 1 0 470.662 3.413 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001299003335 1064782872 /nfs/dbraw/zinc/78/28/72/1064782872.db2.gz SMTBUYVBBBAJCE-JMUQELJHSA-N 1 0 497.688 3.367 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCSCC2)C1 ZINC001299004762 1064786324 /nfs/dbraw/zinc/78/63/24/1064786324.db2.gz DIDGRWRSFUIELO-NBGIEHNGSA-N 1 0 486.686 3.046 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001299004839 1064786491 /nfs/dbraw/zinc/78/64/91/1064786491.db2.gz GVHFGNVYYXPIRM-KSFYIVLOSA-N 1 0 475.435 3.154 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC[N@H+](C)C(C)C)C1 ZINC001299008481 1064792835 /nfs/dbraw/zinc/79/28/35/1064792835.db2.gz UIJHOACFZUXLKK-HOYKHHGWSA-N 1 0 460.598 3.250 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001299011519 1064794201 /nfs/dbraw/zinc/79/42/01/1064794201.db2.gz ATTPNODATXXLBO-AFMDSPMNSA-N 1 0 484.645 3.047 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001299012382 1064795317 /nfs/dbraw/zinc/79/53/17/1064795317.db2.gz FKXPXADNMMVRPY-AFMDSPMNSA-N 1 0 484.645 3.188 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001299016268 1064800648 /nfs/dbraw/zinc/80/06/48/1064800648.db2.gz WUXJCAORWFIMOD-SIBVEZHUSA-N 1 0 484.645 3.045 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCC[NH+]2CCCC2)C1 ZINC001299025721 1064807221 /nfs/dbraw/zinc/80/72/21/1064807221.db2.gz AXGHQYTWKYQJEN-VWLOTQADSA-N 1 0 474.600 3.376 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001299026293 1064808753 /nfs/dbraw/zinc/80/87/53/1064808753.db2.gz CZVOHMYYEMNRJL-HHHXNRCGSA-N 1 0 482.673 3.156 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001299027709 1064810882 /nfs/dbraw/zinc/81/08/82/1064810882.db2.gz HJFRCGRMFZSMLA-SANMLTNESA-N 1 0 468.646 3.104 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3OC)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001299028378 1064812306 /nfs/dbraw/zinc/81/23/06/1064812306.db2.gz KRLIIEBVKFNKGC-RUZDIDTESA-N 1 0 468.646 3.104 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(CCc3ccccc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001299028479 1064813259 /nfs/dbraw/zinc/81/32/59/1064813259.db2.gz MZPSWFVBRZWTNF-HFZDXXHNSA-N 1 0 452.647 3.290 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001299029445 1064815146 /nfs/dbraw/zinc/81/51/46/1064815146.db2.gz PPUJOEWPJBETLG-LZJCXSABSA-N 1 0 488.627 3.478 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001299034709 1064824318 /nfs/dbraw/zinc/82/43/18/1064824318.db2.gz YWYXQAZQFGQUBG-FQRUVTKNSA-N 1 0 468.646 3.168 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001299039314 1064828686 /nfs/dbraw/zinc/82/86/86/1064828686.db2.gz HLRQGPHTJVVEOM-OAQYLSRUSA-N 1 0 451.619 3.256 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001299040838 1064830768 /nfs/dbraw/zinc/83/07/68/1064830768.db2.gz OTJLJIDEEPCGNP-QHCPKHFHSA-N 1 0 461.614 3.457 20 0 JGADRO CNC(=O)c1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001299041576 1064832857 /nfs/dbraw/zinc/83/28/57/1064832857.db2.gz HKLZDKMZNVIGMY-WSNOQYBDSA-N 1 0 468.646 3.289 20 0 JGADRO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCCC[NH+]3CCCC3)C2)n1 ZINC001299058928 1064849818 /nfs/dbraw/zinc/84/98/18/1064849818.db2.gz AVMYSOBWLCXUHX-HXUWFJFHSA-N 1 0 470.666 3.239 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001299065434 1064862012 /nfs/dbraw/zinc/86/20/12/1064862012.db2.gz HPNUVKXOCUIVDT-UXHICEINSA-N 1 0 472.609 3.396 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001299070936 1064869126 /nfs/dbraw/zinc/86/91/26/1064869126.db2.gz BNTPLLXHGNZSKZ-LSDHHAIUSA-N 1 0 481.464 3.216 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001299070934 1064869228 /nfs/dbraw/zinc/86/92/28/1064869228.db2.gz BNTPLLXHGNZSKZ-HUUCEWRRSA-N 1 0 481.464 3.216 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+](C)CCCOC)C1 ZINC001299071118 1064869796 /nfs/dbraw/zinc/86/97/96/1064869796.db2.gz BSWTZNFPXVVSAE-MRXNPFEDSA-N 1 0 483.444 3.183 20 0 JGADRO CNC(=O)[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001299073240 1064873878 /nfs/dbraw/zinc/87/38/78/1064873878.db2.gz UHYQLWWYTPWOQK-PMACEKPBSA-N 1 0 484.645 3.045 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001299073295 1064875156 /nfs/dbraw/zinc/87/51/56/1064875156.db2.gz UNEBODODUBLIMF-JOCHJYFZSA-N 1 0 468.646 3.428 20 0 JGADRO 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CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001299085341 1064890157 /nfs/dbraw/zinc/89/01/57/1064890157.db2.gz KTWQBXFWGYCHFV-IBGZPJMESA-N 1 0 459.038 3.359 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299089037 1064895027 /nfs/dbraw/zinc/89/50/27/1064895027.db2.gz VFRJDKGLVPOBOD-FUPPJEDESA-N 1 0 482.673 3.028 20 0 JGADRO CNC(=O)[C@@H]1CCCN(c2nnc(CCc3ccc(OC)cc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001299094372 1064899297 /nfs/dbraw/zinc/89/92/97/1064899297.db2.gz DFLMRQXAVXJZLZ-JOCHJYFZSA-N 1 0 482.673 3.299 20 0 JGADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)CC1=O ZINC001299097341 1064901778 /nfs/dbraw/zinc/90/17/78/1064901778.db2.gz VXYHEUJOGMUIMK-HXUWFJFHSA-N 1 0 458.603 3.150 20 0 JGADRO CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC001299098888 1064903594 /nfs/dbraw/zinc/90/35/94/1064903594.db2.gz MNHQZLYPSWOZDR-NRFANRHFSA-N 1 0 468.646 3.384 20 0 JGADRO 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COc1cc(-c2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2C[C@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299853486 1065060193 /nfs/dbraw/zinc/06/01/93/1065060193.db2.gz RRKXCOJDDXGEPB-AZUAARDMSA-N 1 0 484.645 3.186 20 0 JGADRO COc1cc(-c2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2C[C@@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299853488 1065060323 /nfs/dbraw/zinc/06/03/23/1065060323.db2.gz RRKXCOJDDXGEPB-QUCCMNQESA-N 1 0 484.645 3.186 20 0 JGADRO COc1cc(-c2nnc(N3CCCO[C@H](C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC001299854805 1065062816 /nfs/dbraw/zinc/06/28/16/1065062816.db2.gz NKXYFLKXENESJH-RTBURBONSA-N 1 0 473.618 3.318 20 0 JGADRO COc1cc(-c2nnc(N3CCCCCC3)n2C[C@H](C)C[NH+]2CCOCC2)cc(OC)c1OC ZINC001299855282 1065063966 /nfs/dbraw/zinc/06/39/66/1065063966.db2.gz UHUDZLUSXJONPG-LJQANCHMSA-N 1 0 473.618 3.320 20 0 JGADRO COc1cc(-c2nnc(N3CCNC(=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1OC(C)C ZINC001299856567 1065064919 /nfs/dbraw/zinc/06/49/19/1065064919.db2.gz AQZBZRRXPYXPEX-BGYRXZFFSA-N 1 0 484.645 3.045 20 0 JGADRO COc1cc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)ccc1OC(C)C ZINC001299856847 1065065342 /nfs/dbraw/zinc/06/53/42/1065065342.db2.gz GOOHKUDMQOZZKH-IBGZPJMESA-N 1 0 498.653 3.432 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CC(F)(F)F)ccc1OC(C)C ZINC001299857631 1065067503 /nfs/dbraw/zinc/06/75/03/1065067503.db2.gz ULVJVPCUZRBAJH-KRWDZBQOSA-N 1 0 483.535 3.462 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CC(F)(F)F)ccc1OC(C)C ZINC001299857632 1065067661 /nfs/dbraw/zinc/06/76/61/1065067661.db2.gz ULVJVPCUZRBAJH-QGZVFWFLSA-N 1 0 483.535 3.462 20 0 JGADRO COc1cc(-c2nnc(N3CCN(C(C)=O)CC3)n2CC[NH+]2CCCCCC2)ccc1OC(C)C ZINC001299859157 1065072291 /nfs/dbraw/zinc/07/22/91/1065072291.db2.gz XSOQPTDNJLYZJX-UHFFFAOYSA-N 1 0 484.645 3.285 20 0 JGADRO COc1cc(-c2nnc(N3CCOCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OC(C)C ZINC001299859557 1065072758 /nfs/dbraw/zinc/07/27/58/1065072758.db2.gz FXMBFMSNFAVOBI-PMACEKPBSA-N 1 0 487.645 3.465 20 0 JGADRO 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COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCN1CCOC[C@@H]1C ZINC001299908385 1065151972 /nfs/dbraw/zinc/15/19/72/1065151972.db2.gz TVXNEVHEBSALCJ-SFHVURJKSA-N 1 0 477.053 3.248 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCS(=O)(=O)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001299910634 1065160009 /nfs/dbraw/zinc/16/00/09/1065160009.db2.gz CFQGAHCIHMIQME-KRWDZBQOSA-N 1 0 482.050 3.106 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCCNC(=O)C(C)C ZINC001299911667 1065161266 /nfs/dbraw/zinc/16/12/66/1065161266.db2.gz ODUMDUDXQPBEOJ-IBGZPJMESA-N 1 0 475.037 3.444 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCNC(=O)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001299912358 1065162482 /nfs/dbraw/zinc/16/24/82/1065162482.db2.gz RGSCJKHWUQAFTJ-MRXNPFEDSA-N 1 0 461.010 3.054 20 0 JGADRO COc1cc(N(C)c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCCCC2)cc(OC)c1OC ZINC001299919398 1065170999 /nfs/dbraw/zinc/17/09/99/1065170999.db2.gz AYALKWJEHPKQOU-UHFFFAOYSA-N 1 0 486.617 3.184 20 0 JGADRO 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COc1cc(OC)cc(-c2nnc(N(C)CC(F)(F)F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001299931392 1065194937 /nfs/dbraw/zinc/19/49/37/1065194937.db2.gz YSYONJBKUSHCAC-INIZCTEOSA-N 1 0 471.524 3.462 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299932071 1065197088 /nfs/dbraw/zinc/19/70/88/1065197088.db2.gz KFMFRUNUOWYCKD-QHAWAJNXSA-N 1 0 487.645 3.324 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001299934657 1065201666 /nfs/dbraw/zinc/20/16/66/1065201666.db2.gz XDOUKLLHFDDYJU-RTBURBONSA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001299934298 1065201689 /nfs/dbraw/zinc/20/16/89/1065201689.db2.gz SBBFZGACFBJSER-UYXZNNOOSA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001299937780 1065206066 /nfs/dbraw/zinc/20/60/66/1065206066.db2.gz VRVPALVTKMFNDR-RUZDIDTESA-N 1 0 455.603 3.212 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC4(CNC(=O)C4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001299941350 1065210679 /nfs/dbraw/zinc/21/06/79/1065210679.db2.gz HHIAFNFFBPZPED-HXUWFJFHSA-N 1 0 484.645 3.045 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(F)(F)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001299941391 1065210727 /nfs/dbraw/zinc/21/07/27/1065210727.db2.gz IPXPIIQWUFTDNO-KRWDZBQOSA-N 1 0 465.545 3.309 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](n4cncn4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001299945815 1065218626 /nfs/dbraw/zinc/21/86/26/1065218626.db2.gz VJMWOADHOGPBGE-LEWJYISDSA-N 1 0 482.633 3.372 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](n4cncn4)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001299945818 1065218676 /nfs/dbraw/zinc/21/86/76/1065218676.db2.gz VJMWOADHOGPBGE-SFTDATJTSA-N 1 0 482.633 3.372 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001299949523 1065223718 /nfs/dbraw/zinc/22/37/18/1065223718.db2.gz FTMZOHVOMXQFDU-LEWJYISDSA-N 1 0 498.672 3.387 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2C[C@@H](OC)C(C)C)c1 ZINC001299949866 1065224810 /nfs/dbraw/zinc/22/48/10/1065224810.db2.gz INVTUQNRWPDSCG-YADARESESA-N 1 0 487.645 3.323 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCNC(=O)C(C)C)c1 ZINC001299949955 1065224947 /nfs/dbraw/zinc/22/49/47/1065224947.db2.gz JQSAAWARILAOMJ-IBGZPJMESA-N 1 0 484.645 3.045 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2C[C@H](OC)C(C)C)c1 ZINC001299950512 1065225997 /nfs/dbraw/zinc/22/59/97/1065225997.db2.gz BJHNVJKMKIHOTG-DEOSSOPVSA-N 1 0 487.645 3.182 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(Cc4cscn4)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001299952199 1065230839 /nfs/dbraw/zinc/23/08/39/1065230839.db2.gz MPCIVSWFKAJJEX-UHFFFAOYSA-N 1 0 485.658 3.081 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CC[NH+]2CCSCC2)c1 ZINC001299953345 1065233907 /nfs/dbraw/zinc/23/39/07/1065233907.db2.gz KAXJIDNXLIOKSF-DLBZAZTESA-N 1 0 463.673 3.341 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCCOC(F)(F)F)c1 ZINC001299953517 1065234450 /nfs/dbraw/zinc/23/44/50/1065234450.db2.gz ZLLOMAKXKKUHKX-SFHVURJKSA-N 1 0 499.534 3.190 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001299956821 1065235648 /nfs/dbraw/zinc/23/56/48/1065235648.db2.gz GQIRSQLKMLPZLF-UHFFFAOYSA-N 1 0 466.586 3.160 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCSCC2)c1 ZINC001299958774 1065237509 /nfs/dbraw/zinc/23/75/09/1065237509.db2.gz WOKBWASCBISVIT-UHFFFAOYSA-N 1 0 454.600 3.482 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001299958551 1065237591 /nfs/dbraw/zinc/23/75/91/1065237591.db2.gz UXUBPMKALXNWJP-VQTJNVASSA-N 1 0 473.618 3.458 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001299959080 1065238094 /nfs/dbraw/zinc/23/80/94/1065238094.db2.gz YYGDFOMHPGRYOT-OALUTQOASA-N 1 0 491.658 3.230 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc(Cn3nc(C)cc3C)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001299959464 1065240010 /nfs/dbraw/zinc/24/00/10/1065240010.db2.gz PXVLUZZBNLWHDZ-UHFFFAOYSA-N 1 0 497.644 3.160 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@H+](C)C2CCCC2)c1 ZINC001299967638 1065250388 /nfs/dbraw/zinc/25/03/88/1065250388.db2.gz UDEYWRAJKGQWEO-HNNXBMFYSA-N 1 0 493.450 3.291 20 0 JGADRO COc1cc2c(c(OC)c1OC)CCN(c1nnc(C)n1CC1([NH+](C)C)CCCCC1)CC2 ZINC001299967902 1065250877 /nfs/dbraw/zinc/25/08/77/1065250877.db2.gz WSPJNNJAKMCXOQ-UHFFFAOYSA-N 1 0 457.619 3.482 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)[C@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001299968063 1065251038 /nfs/dbraw/zinc/25/10/38/1065251038.db2.gz YVGLKAZVSLXMLW-YCRPNKLZSA-N 1 0 496.475 3.379 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001299973814 1065262508 /nfs/dbraw/zinc/26/25/08/1065262508.db2.gz LPFKIIZXTQXACL-KUHUBIRLSA-N 1 0 464.408 3.282 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCC[C@H](CNC(C)=O)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299975141 1065268480 /nfs/dbraw/zinc/26/84/80/1065268480.db2.gz LBPUTRZSWCTSLE-NVXWUHKLSA-N 1 0 493.450 3.019 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc(-c3cnccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001299982982 1065283745 /nfs/dbraw/zinc/28/37/45/1065283745.db2.gz CKMWESWWBIZSFE-ZCNNSNEGSA-N 1 0 465.602 3.440 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001299987728 1065290496 /nfs/dbraw/zinc/29/04/96/1065290496.db2.gz VCJXPNQZTISEQD-ZJOUEHCJSA-N 1 0 475.659 3.118 20 0 JGADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001545691523 1065309731 /nfs/dbraw/zinc/30/97/31/1065309731.db2.gz CPRZFSFYEOUGQN-VQTJNVASSA-N 1 0 489.064 3.452 20 0 JGADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001545691524 1065309909 /nfs/dbraw/zinc/30/99/09/1065309909.db2.gz CPRZFSFYEOUGQN-WOJBJXKFSA-N 1 0 489.064 3.452 20 0 JGADRO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001492201767 1065315780 /nfs/dbraw/zinc/31/57/80/1065315780.db2.gz WTZUGZCSHKKSCH-UHFFFAOYSA-N 1 0 452.628 3.404 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(-c4ccc[nH]4)n3CC[N@@H+](C)C(C)C)CC2)cc1 ZINC001492206023 1065320669 /nfs/dbraw/zinc/32/06/69/1065320669.db2.gz SIJLMRDOSQFFBX-UHFFFAOYSA-N 1 0 463.630 3.455 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(-c3cccnc3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001492207941 1065322328 /nfs/dbraw/zinc/32/23/28/1065322328.db2.gz DORLILCWHMWRPV-UHFFFAOYSA-N 1 0 451.594 3.450 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001492238229 1065323456 /nfs/dbraw/zinc/32/34/56/1065323456.db2.gz MVJNAAIQBXLSPM-WOJBJXKFSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001492211205 1065323604 /nfs/dbraw/zinc/32/36/04/1065323604.db2.gz JSGHNJGWHKZZKH-QFIPXVFZSA-N 1 0 452.578 3.195 20 0 JGADRO Cc1ccc(N(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)cc1 ZINC001492224504 1065329071 /nfs/dbraw/zinc/32/90/71/1065329071.db2.gz MVZJAYAWIAZMCN-OAQYLSRUSA-N 1 0 488.633 3.241 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001492240580 1065339595 /nfs/dbraw/zinc/33/95/95/1065339595.db2.gz PGVQDSURKPRTCE-XMMPIXPASA-N 1 0 497.688 3.036 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001492243219 1065341597 /nfs/dbraw/zinc/34/15/97/1065341597.db2.gz AYEDVSGSIMIIOF-OAQYLSRUSA-N 1 0 497.688 3.177 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCCOCC(F)F)cc1C ZINC001492246195 1065345312 /nfs/dbraw/zinc/34/53/12/1065345312.db2.gz CKSLVGRKHGWVFB-ICSRJNTNSA-N 1 0 476.572 3.492 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC001492250847 1065351123 /nfs/dbraw/zinc/35/11/23/1065351123.db2.gz UIJGKLLUKWRVIQ-IBGZPJMESA-N 1 0 495.672 3.361 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001492264094 1065356925 /nfs/dbraw/zinc/35/69/25/1065356925.db2.gz DPJNVACLQHPRBU-JTHBVZDNSA-N 1 0 495.672 3.373 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1C ZINC001492265992 1065360308 /nfs/dbraw/zinc/36/03/08/1065360308.db2.gz MENJGJOHOYJYJD-FQEVSTJZSA-N 1 0 476.572 3.492 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2([NH+](C)C)CCCCC2)cc1C ZINC001492269397 1065365562 /nfs/dbraw/zinc/36/55/62/1065365562.db2.gz YRAXIZANZIUZEO-FQEVSTJZSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2CCC[NH+](C(C)C)C(C)C)cc1C ZINC001492273892 1065367375 /nfs/dbraw/zinc/36/73/75/1065367375.db2.gz OTZUOPPJJWGTNV-UHFFFAOYSA-N 1 0 474.675 3.225 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492275779 1065369671 /nfs/dbraw/zinc/36/96/71/1065369671.db2.gz KXQYPGLWELZSIB-XJUOHMSHSA-N 1 0 484.645 3.118 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc([C@H]4CCCOC4)n3CC[N@@H+](C)C(C)C)CC2)nc1 ZINC001492281025 1065373871 /nfs/dbraw/zinc/37/38/71/1065373871.db2.gz MLRSEAHATZDMBC-NRFANRHFSA-N 1 0 469.634 3.071 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CC[NH+](C(C)C)C(C)C)C2)nc1 ZINC001492281228 1065374593 /nfs/dbraw/zinc/37/45/93/1065374593.db2.gz OYFWXRFGXXRUDL-FGZHOGPDSA-N 1 0 483.661 3.459 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001492286662 1065379078 /nfs/dbraw/zinc/37/90/78/1065379078.db2.gz GYOYYYZRIUUSHQ-VWLOTQADSA-N 1 0 479.654 3.085 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492287811 1065381179 /nfs/dbraw/zinc/38/11/79/1065381179.db2.gz HXRHBDYNLCOBQB-HXUWFJFHSA-N 1 0 478.645 3.255 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001492287556 1065381233 /nfs/dbraw/zinc/38/12/33/1065381233.db2.gz QVPZBKLROSHFDR-HXUWFJFHSA-N 1 0 454.619 3.430 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001492311453 1065390554 /nfs/dbraw/zinc/39/05/54/1065390554.db2.gz LYJAGSBQSLCLOO-HXUWFJFHSA-N 1 0 477.675 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C2CCCCC2)cc1 ZINC001492317581 1065393517 /nfs/dbraw/zinc/39/35/17/1065393517.db2.gz NYNMSLCCVTWUAE-QFIPXVFZSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001492320641 1065395343 /nfs/dbraw/zinc/39/53/43/1065395343.db2.gz PCSANASVXDPDQM-FQEVSTJZSA-N 1 0 456.635 3.248 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001492320642 1065395372 /nfs/dbraw/zinc/39/53/72/1065395372.db2.gz PCSANASVXDPDQM-HXUWFJFHSA-N 1 0 456.635 3.248 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492325206 1065397456 /nfs/dbraw/zinc/39/74/56/1065397456.db2.gz JEVHZUDCDFUDBI-QFIPXVFZSA-N 1 0 479.629 3.401 20 0 JGADRO Cc1ccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC001492297718 1065412164 /nfs/dbraw/zinc/41/21/64/1065412164.db2.gz YAXLNUQSCHZARI-ILBGXUMGSA-N 1 0 484.689 3.409 20 0 JGADRO Cc1ccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC001492297720 1065412246 /nfs/dbraw/zinc/41/22/46/1065412246.db2.gz YAXLNUQSCHZARI-NOZRDPDXSA-N 1 0 484.689 3.409 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001492352893 1065414613 /nfs/dbraw/zinc/41/46/13/1065414613.db2.gz RGXPHBNJALRTDD-KCWPFWIISA-N 1 0 484.689 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001492358481 1065419858 /nfs/dbraw/zinc/41/98/58/1065419858.db2.gz AYUUNMDERUQCHX-OAQYLSRUSA-N 1 0 454.619 3.097 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(C)COCCO2)cc1C ZINC001492358584 1065419908 /nfs/dbraw/zinc/41/99/08/1065419908.db2.gz BLYDUTXZQKHVPG-VWLOTQADSA-N 1 0 457.619 3.246 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492364293 1065427209 /nfs/dbraw/zinc/42/72/09/1065427209.db2.gz VXCUCBKWHLPFET-NRFANRHFSA-N 1 0 498.672 3.147 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492370310 1065431870 /nfs/dbraw/zinc/43/18/70/1065431870.db2.gz HQTFPZZWAXROIH-YPAWHYETSA-N 1 0 498.672 3.145 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001492376874 1065439704 /nfs/dbraw/zinc/43/97/04/1065439704.db2.gz FFCHXXKZZQCYEI-QHCPKHFHSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCN2CCOC[C@H]2C)cc1 ZINC001492377002 1065439743 /nfs/dbraw/zinc/43/97/43/1065439743.db2.gz IZMSHGAKSXIDLM-JOCHJYFZSA-N 1 0 470.662 3.197 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCO[C@@H]2CCOC2)cc1 ZINC001492377430 1065441398 /nfs/dbraw/zinc/44/13/98/1065441398.db2.gz OXJNLYKEHMHBFM-HSZRJFAPSA-N 1 0 457.619 3.282 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCO[C@@H]2CCOC2)cc1 ZINC001492382789 1065444714 /nfs/dbraw/zinc/44/47/14/1065444714.db2.gz DAMWDLKKBGPEHY-JOCHJYFZSA-N 1 0 457.619 3.282 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492383978 1065450236 /nfs/dbraw/zinc/45/02/36/1065450236.db2.gz DFFXJNOMXFSDKJ-IBGZPJMESA-N 1 0 470.021 3.491 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001492384153 1065450441 /nfs/dbraw/zinc/45/04/41/1065450441.db2.gz DPOIWJZEHMIHSA-FGZHOGPDSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@]2(O)CCOC2)cc1C ZINC001492390864 1065456399 /nfs/dbraw/zinc/45/63/99/1065456399.db2.gz DPMXAOSJUHGYQZ-AREMUKBSSA-N 1 0 471.646 3.184 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001492392425 1065464327 /nfs/dbraw/zinc/46/43/27/1065464327.db2.gz YIZDBGYOZVOATA-OAQYLSRUSA-N 1 0 454.619 3.015 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001492395425 1065467711 /nfs/dbraw/zinc/46/77/11/1065467711.db2.gz SHDDFEUYIIWNBK-IZZNHLLZSA-N 1 0 471.646 3.182 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001492395426 1065467824 /nfs/dbraw/zinc/46/78/24/1065467824.db2.gz SHDDFEUYIIWNBK-UIOOFZCWSA-N 1 0 471.646 3.182 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001492401451 1065470789 /nfs/dbraw/zinc/47/07/89/1065470789.db2.gz KOFPXZNKODLZNJ-GIWBLDEGSA-N 1 0 468.646 3.104 20 0 JGADRO Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC001492408961 1065474269 /nfs/dbraw/zinc/47/42/69/1065474269.db2.gz PPPLQOSNHMISHW-OAQYLSRUSA-N 1 0 454.619 3.258 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001492419353 1065480398 /nfs/dbraw/zinc/48/03/98/1065480398.db2.gz XBNLLBCJTQFXGX-NRFANRHFSA-N 1 0 454.619 3.070 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001492420541 1065481027 /nfs/dbraw/zinc/48/10/27/1065481027.db2.gz GSHNNOQSLAKZIE-PMACEKPBSA-N 1 0 468.627 3.417 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001492424436 1065483817 /nfs/dbraw/zinc/48/38/17/1065483817.db2.gz JHJQDWWHWBCWAE-UHFFFAOYSA-N 1 0 468.646 3.489 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492432264 1065489876 /nfs/dbraw/zinc/48/98/76/1065489876.db2.gz YQOPSSOXKOGKGO-LEWJYISDSA-N 1 0 488.702 3.389 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001492437462 1065493635 /nfs/dbraw/zinc/49/36/35/1065493635.db2.gz AUVGOEXOHSQADN-UHFFFAOYSA-N 1 0 488.683 3.214 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001492445981 1065500266 /nfs/dbraw/zinc/50/02/66/1065500266.db2.gz MTJBKBCGNFTLGZ-IBGZPJMESA-N 1 0 456.660 3.324 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001492449097 1065502155 /nfs/dbraw/zinc/50/21/55/1065502155.db2.gz PNKRSWHVSZKVLL-NRFANRHFSA-N 1 0 451.587 3.427 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001492452610 1065503458 /nfs/dbraw/zinc/50/34/58/1065503458.db2.gz IIOWCWWMRNFVJC-UXHICEINSA-N 1 0 456.660 3.278 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC(N4CCCNC4=O)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492460145 1065508519 /nfs/dbraw/zinc/50/85/19/1065508519.db2.gz PYAJBWLWWIGSMZ-IBGZPJMESA-N 1 0 471.675 3.213 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001492461350 1065509756 /nfs/dbraw/zinc/50/97/56/1065509756.db2.gz CTKLMWZIYSXNCV-RTWAWAEBSA-N 1 0 477.700 3.232 20 0 JGADRO Cc1ccc(SCCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001492469220 1065517909 /nfs/dbraw/zinc/51/79/09/1065517909.db2.gz CXOVKDBKUQUVOW-UHFFFAOYSA-N 1 0 456.660 3.393 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC[NH+]1CCC(C)CC1 ZINC001492470724 1065520515 /nfs/dbraw/zinc/52/05/15/1065520515.db2.gz YAIAHFTTXNIKKQ-FQEVSTJZSA-N 1 0 474.675 3.403 20 0 JGADRO Cc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001492478419 1065524137 /nfs/dbraw/zinc/52/41/37/1065524137.db2.gz LVKLEVZJARXFLZ-JOCHJYFZSA-N 1 0 468.646 3.221 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC001300795354 1065525331 /nfs/dbraw/zinc/52/53/31/1065525331.db2.gz NWUSBZCPYISJQM-NHAYFPRASA-N 1 0 495.466 3.396 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCC(O)CC2)CC[C@H]1C ZINC001300795585 1065525815 /nfs/dbraw/zinc/52/58/15/1065525815.db2.gz OSKCDRDCUUXXDY-DYESRHJHSA-N 1 0 479.572 3.255 20 0 JGADRO CO[C@H]1CN(c2nnc(C(C)(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC001300797044 1065529189 /nfs/dbraw/zinc/52/91/89/1065529189.db2.gz JPFHZKHTFWZIIQ-QFIPXVFZSA-N 1 0 454.663 3.255 20 0 JGADRO CO[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)CC[C@H]1C ZINC001300801480 1065533260 /nfs/dbraw/zinc/53/32/60/1065533260.db2.gz YTEFIVOAZNFGST-NQIIRXRSSA-N 1 0 475.037 3.209 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC[NH+](C(C)C)C(C)C)CC[C@H]1C ZINC001300813579 1065544073 /nfs/dbraw/zinc/54/40/73/1065544073.db2.gz ZUHSTEKTWZMDBX-NFBKMPQASA-N 1 0 481.649 3.291 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001300824671 1065552845 /nfs/dbraw/zinc/55/28/45/1065552845.db2.gz FXPCZMWGNFCTAW-DENIHFKCSA-N 1 0 459.610 3.105 20 0 JGADRO CO[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CC1(C)C ZINC001300828574 1065557569 /nfs/dbraw/zinc/55/75/69/1065557569.db2.gz YBPPYLKZYVEPNA-QHCPKHFHSA-N 1 0 472.653 3.143 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1(C)C ZINC001300833078 1065566528 /nfs/dbraw/zinc/56/65/28/1065566528.db2.gz CKHCHUVXCZMRGN-HSZRJFAPSA-N 1 0 464.614 3.114 20 0 JGADRO 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COCC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CC(C)C)CC2)CCOCC1 ZINC001301155107 1065992129 /nfs/dbraw/zinc/99/21/29/1065992129.db2.gz YEQJWRATABKBTL-FGZHOGPDSA-N 1 0 477.694 3.418 20 0 JGADRO COCc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[N@H+](C)C2CCCC2)o1 ZINC001301157053 1065993650 /nfs/dbraw/zinc/99/36/50/1065993650.db2.gz OMCNTZMLZFSZFL-FQEVSTJZSA-N 1 0 458.607 3.372 20 0 JGADRO CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC001301179718 1066010612 /nfs/dbraw/zinc/01/06/12/1066010612.db2.gz CJCPLUCTYWPCBK-QGZVFWFLSA-N 1 0 451.951 3.224 20 0 JGADRO COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001301184859 1066014575 /nfs/dbraw/zinc/01/45/75/1066014575.db2.gz CSKNZHYHWLFCBK-UHFFFAOYSA-N 1 0 475.659 3.250 20 0 JGADRO COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001301185988 1066015576 /nfs/dbraw/zinc/01/55/76/1066015576.db2.gz UEOSKRFBSLEDJN-HXUWFJFHSA-N 1 0 487.670 3.396 20 0 JGADRO COCC1=CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001301195929 1066022303 /nfs/dbraw/zinc/02/23/03/1066022303.db2.gz LVPHVWVOEDBPKD-QFIPXVFZSA-N 1 0 451.619 3.276 20 0 JGADRO COCC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001301195368 1066022403 /nfs/dbraw/zinc/02/24/03/1066022403.db2.gz VGZBGPQMIZHHCB-UHFFFAOYSA-N 1 0 486.661 3.437 20 0 JGADRO COCc1nc(Cn2c(CC(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC001301211795 1066035430 /nfs/dbraw/zinc/03/54/30/1066035430.db2.gz HHFRHFLETVRQNV-KDURUIRLSA-N 1 0 476.691 3.453 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001301228706 1066047550 /nfs/dbraw/zinc/04/75/50/1066047550.db2.gz VHQPPUTZXUPSRE-VQTJNVASSA-N 1 0 457.623 3.155 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001301244387 1066060621 /nfs/dbraw/zinc/06/06/21/1066060621.db2.gz KDOUIYRYEMFSBM-GXRSIYKFSA-N 1 0 495.734 3.190 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001301248055 1066065121 /nfs/dbraw/zinc/06/51/21/1066065121.db2.gz OEUJLLPGEQLLNL-IFMALSPDSA-N 1 0 459.610 3.108 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCSCC2)C1 ZINC001301251040 1066067880 /nfs/dbraw/zinc/06/78/80/1066067880.db2.gz KVDOGUYBZPBISF-OAQYLSRUSA-N 1 0 459.660 3.467 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001301263567 1066078872 /nfs/dbraw/zinc/07/88/72/1066078872.db2.gz MGTJPQITQFFEBU-OALUTQOASA-N 1 0 463.026 3.357 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001301265157 1066081243 /nfs/dbraw/zinc/08/12/43/1066081243.db2.gz JOLUMDJOYUYPEH-UGKGYDQZSA-N 1 0 489.686 3.332 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001301267447 1066082781 /nfs/dbraw/zinc/08/27/81/1066082781.db2.gz XKWCNFRQIOBRDQ-FQEVSTJZSA-N 1 0 477.675 3.330 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001301268954 1066083645 /nfs/dbraw/zinc/08/36/45/1066083645.db2.gz RADOWJOTXYAXQZ-HXUWFJFHSA-N 1 0 450.587 3.192 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC[N@H+](C)C(C)C)C1 ZINC001301274781 1066085608 /nfs/dbraw/zinc/08/56/08/1066085608.db2.gz UBXPMEKZXXVDRL-GOSISDBHSA-N 1 0 453.591 3.187 20 0 JGADRO COC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001301283554 1066091435 /nfs/dbraw/zinc/09/14/35/1066091435.db2.gz PKOLQJQLWSNIHK-QHCPKHFHSA-N 1 0 484.689 3.363 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301284714 1066092735 /nfs/dbraw/zinc/09/27/35/1066092735.db2.gz YMIRKCKBTRYZHI-WOJBJXKFSA-N 1 0 474.675 3.253 20 0 JGADRO COCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301287154 1066094902 /nfs/dbraw/zinc/09/49/02/1066094902.db2.gz QUUAWQUVZGHFPP-HXUWFJFHSA-N 1 0 469.634 3.300 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](COC)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001301287614 1066095326 /nfs/dbraw/zinc/09/53/26/1066095326.db2.gz UGHHZGSAUKDKFL-CCSDVLNMSA-N 1 0 463.667 3.233 20 0 JGADRO COCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001301287959 1066096391 /nfs/dbraw/zinc/09/63/91/1066096391.db2.gz WYPBIPKBSKTMOK-QFIPXVFZSA-N 1 0 454.619 3.350 20 0 JGADRO COCC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001301293825 1066098654 /nfs/dbraw/zinc/09/86/54/1066098654.db2.gz CKMOKGMHFLBGQB-HXOBKFHXSA-N 1 0 464.010 3.001 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001301293927 1066098711 /nfs/dbraw/zinc/09/87/11/1066098711.db2.gz DKSLPFBWHAUMHK-SFHVURJKSA-N 1 0 491.478 3.206 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001301294657 1066099826 /nfs/dbraw/zinc/09/98/26/1066099826.db2.gz OUVULKKNESCVFB-AOMKIAJQSA-N 1 0 467.586 3.457 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001301296104 1066101056 /nfs/dbraw/zinc/10/10/56/1066101056.db2.gz USSZZNLEYSVVPA-INIZCTEOSA-N 1 0 496.425 3.430 20 0 JGADRO COCC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001301297838 1066104042 /nfs/dbraw/zinc/10/40/42/1066104042.db2.gz HCTLFITVOZMUOY-QHCPKHFHSA-N 1 0 489.686 3.332 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301309802 1066111859 /nfs/dbraw/zinc/11/18/59/1066111859.db2.gz VYLRKDGWUAVACV-HSALFYBXSA-N 1 0 487.645 3.323 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(COC)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001301344594 1066135929 /nfs/dbraw/zinc/13/59/29/1066135929.db2.gz PCULLSVEGJZNOS-PMVMPFDFSA-N 1 0 475.609 3.307 20 0 JGADRO COC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001301348200 1066138541 /nfs/dbraw/zinc/13/85/41/1066138541.db2.gz VCNJKTIVPCKOHB-JTHBVZDNSA-N 1 0 484.645 3.263 20 0 JGADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C(C)(C)n3cc(C)c(C(F)(F)F)n3)C2)ccn1 ZINC001301355601 1066144855 /nfs/dbraw/zinc/14/48/55/1066144855.db2.gz CNQXPDMNWXMWOP-SFHVURJKSA-N 1 0 453.509 3.472 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001301358412 1066148376 /nfs/dbraw/zinc/14/83/76/1066148376.db2.gz MMMZAXYEDHULMQ-LMMKCTJWSA-N 1 0 495.466 3.398 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001301362295 1066156522 /nfs/dbraw/zinc/15/65/22/1066156522.db2.gz ZVQPDRDMQNCLSW-AEFFLSMTSA-N 1 0 496.425 3.430 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H](C)O1 ZINC001301368950 1066163521 /nfs/dbraw/zinc/16/35/21/1066163521.db2.gz MYRBSIBYNOBKTR-IHPCNDPISA-N 1 0 496.027 3.335 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H](C)O1 ZINC001301373705 1066167238 /nfs/dbraw/zinc/16/72/38/1066167238.db2.gz FUHVQMXDPAQQHE-JAXLGGSGSA-N 1 0 457.619 3.314 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC001301376645 1066170168 /nfs/dbraw/zinc/17/01/68/1066170168.db2.gz UYXUWTKZPXXFHH-SJLPKXTDSA-N 1 0 494.434 3.052 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001301377343 1066170912 /nfs/dbraw/zinc/17/09/12/1066170912.db2.gz YIDFQRRVWRNMGG-INIZCTEOSA-N 1 0 466.424 3.147 20 0 JGADRO CCC[N@@H+]1CC[C@H](NC(=O)c2c(I)ccc(Br)c2F)C1 ZINC001301378451 1066171594 /nfs/dbraw/zinc/17/15/94/1066171594.db2.gz FXWCCLXJLUMDIG-VIFPVBQESA-N 1 0 455.109 3.407 20 0 JGADRO COC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCSCC3)CCCC2)CCO1 ZINC001301392798 1066176337 /nfs/dbraw/zinc/17/63/37/1066176337.db2.gz PEMBRVJIMWHMPA-IBGZPJMESA-N 1 0 451.681 3.080 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H](C)O1 ZINC001301395300 1066176808 /nfs/dbraw/zinc/17/68/08/1066176808.db2.gz BCAGUEPTGPBYBW-AWZJCTCXSA-N 1 0 456.635 3.015 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H](C)O1 ZINC001301398374 1066179460 /nfs/dbraw/zinc/17/94/60/1066179460.db2.gz DCEVLDHGSQBBGY-FSENYNONSA-N 1 0 476.691 3.384 20 0 JGADRO COC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001301400688 1066181293 /nfs/dbraw/zinc/18/12/93/1066181293.db2.gz CKQVSWCHPWFAIJ-CDNNERCOSA-N 1 0 471.646 3.260 20 0 JGADRO COC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H](C)O1 ZINC001301401303 1066182171 /nfs/dbraw/zinc/18/21/71/1066182171.db2.gz GUJCRZAYUIUQPQ-OEMFJLHTSA-N 1 0 455.647 3.424 20 0 JGADRO COC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001301402714 1066183684 /nfs/dbraw/zinc/18/36/84/1066183684.db2.gz KOZBCJGRRUVHTB-LEWJYISDSA-N 1 0 455.628 3.279 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001301403819 1066185406 /nfs/dbraw/zinc/18/54/06/1066185406.db2.gz BCNKTYKUWACPJG-GGAORHGYSA-N 1 0 457.619 3.057 20 0 JGADRO 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COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(OCC3CC3)c2)C[C@H]1C ZINC001301910760 1066935862 /nfs/dbraw/zinc/93/58/62/1066935862.db2.gz WQWRBNYQCGWEPL-LJQANCHMSA-N 1 0 456.635 3.256 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2csc([C@@H](C)OC)n2)C[C@@H]1C ZINC001301910943 1066936248 /nfs/dbraw/zinc/93/62/48/1066936248.db2.gz KYMOBFGFJCTQMF-DLBZAZTESA-N 1 0 450.653 3.236 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2csc([C@H](C)OC)n2)C[C@H]1C ZINC001301911257 1066936305 /nfs/dbraw/zinc/93/63/05/1066936305.db2.gz KYMOBFGFJCTQMF-SJORKVTESA-N 1 0 450.653 3.236 20 0 JGADRO CON(C)c1nnc(-c2ccc(F)cc2Br)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001302337103 1066936671 /nfs/dbraw/zinc/93/66/71/1066936671.db2.gz FDMLUCRSMBKFOI-UHFFFAOYSA-N 1 0 468.371 3.489 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2nccs2)C[C@H]1C ZINC001301911851 1066936856 /nfs/dbraw/zinc/93/68/56/1066936856.db2.gz MZUDQQUFSWJOIQ-MRXNPFEDSA-N 1 0 462.570 3.003 20 0 JGADRO 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CC(C)C(=O)NCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001302462952 1067068110 /nfs/dbraw/zinc/06/81/10/1067068110.db2.gz UQDFHMXKCOSPPR-UHFFFAOYSA-N 1 0 476.572 3.383 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(=O)NCC(F)(F)F)c1C ZINC001304025153 1067070643 /nfs/dbraw/zinc/07/06/43/1067070643.db2.gz GOLIQJIESSKCHK-SFHVURJKSA-N 1 0 482.551 3.244 20 0 JGADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001302467359 1067071002 /nfs/dbraw/zinc/07/10/02/1067071002.db2.gz ACELGKXIVUQKFC-XLIONFOSSA-N 1 0 452.382 3.499 20 0 JGADRO CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001302467358 1067071116 /nfs/dbraw/zinc/07/11/16/1067071116.db2.gz ACELGKXIVUQKFC-PXNSSMCTSA-N 1 0 452.382 3.499 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[N@@H+](C)C(C)C)c1C ZINC001304025654 1067071662 /nfs/dbraw/zinc/07/16/62/1067071662.db2.gz XPGKAHLMKAPGBO-FQEVSTJZSA-N 1 0 477.675 3.389 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCN2CCOC2=O)c1C ZINC001304025976 1067071876 /nfs/dbraw/zinc/07/18/76/1067071876.db2.gz KLAYIZVYPOLWEK-NRFANRHFSA-N 1 0 470.618 3.408 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(N4CCNC4=O)CC3)n2CC[N@@H+](C)C(C)C)c1C ZINC001304025898 1067072179 /nfs/dbraw/zinc/07/21/79/1067072179.db2.gz ZSJLWGHJWHFTTN-NRFANRHFSA-N 1 0 483.661 3.369 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCS(C)(=O)=O)c1C ZINC001304025986 1067072272 /nfs/dbraw/zinc/07/22/72/1067072272.db2.gz KOLZEZNWAOLXRG-LEWJYISDSA-N 1 0 475.659 3.144 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C4CCC4)CC3)n2CC(=O)NCC(F)(F)F)c1C ZINC001304027676 1067074814 /nfs/dbraw/zinc/07/48/14/1067074814.db2.gz AOINISDLHGJIPO-SFHVURJKSA-N 1 0 494.562 3.388 20 0 JGADRO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001302471378 1067075836 /nfs/dbraw/zinc/07/58/36/1067075836.db2.gz QXNTWBBOXHEMDI-JTHBVZDNSA-N 1 0 467.662 3.127 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC001304030909 1067078788 /nfs/dbraw/zinc/07/87/88/1067078788.db2.gz RCFRZMMTGBQVCK-FGZHOGPDSA-N 1 0 468.646 3.339 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCC[N@@H+](C)C(C)C)c1C ZINC001304031933 1067080609 /nfs/dbraw/zinc/08/06/09/1067080609.db2.gz YKBVJYAODRQVGC-VXKWHMMOSA-N 1 0 483.661 3.321 20 0 JGADRO CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302487386 1067086779 /nfs/dbraw/zinc/08/67/79/1067086779.db2.gz PQQIUCQLMKCGBI-IBGZPJMESA-N 1 0 474.675 3.110 20 0 JGADRO CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302487387 1067086848 /nfs/dbraw/zinc/08/68/48/1067086848.db2.gz PQQIUCQLMKCGBI-LJQANCHMSA-N 1 0 474.675 3.110 20 0 JGADRO Cc1nc([C@@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CC[N@@H+](C)C(C)C)C2)sc1C ZINC001304046608 1067089798 /nfs/dbraw/zinc/08/97/98/1067089798.db2.gz ZZGFAUUHRMGALJ-LJQANCHMSA-N 1 0 459.664 3.312 20 0 JGADRO Cc1nc(CCn2c(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)sc1C ZINC001304048759 1067091151 /nfs/dbraw/zinc/09/11/51/1067091151.db2.gz BGPAHELAHXWCCA-NRFANRHFSA-N 1 0 489.734 3.123 20 0 JGADRO CS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001302495642 1067094359 /nfs/dbraw/zinc/09/43/59/1067094359.db2.gz RWQQKVVKOSVXTK-UHFFFAOYSA-N 1 0 499.056 3.132 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)F)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001304057215 1067097364 /nfs/dbraw/zinc/09/73/64/1067097364.db2.gz KDBNUBBEMIYALE-INIZCTEOSA-N 1 0 483.633 3.370 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302499456 1067097568 /nfs/dbraw/zinc/09/75/68/1067097568.db2.gz BPDMFLBSCXVOIR-OZXSUGGESA-N 1 0 455.647 3.019 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCOC(C)(C)C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001304057545 1067098468 /nfs/dbraw/zinc/09/84/68/1067098468.db2.gz UQGABOMGDWVYMO-QGZVFWFLSA-N 1 0 491.706 3.281 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)(F)F)n1C[C@@H](C1CC1)[NH+](C)C ZINC001304057613 1067098986 /nfs/dbraw/zinc/09/89/86/1067098986.db2.gz XDKDVPJVXFAZDP-INIZCTEOSA-N 1 0 487.596 3.275 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCCO[C@@H](C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304059659 1067102888 /nfs/dbraw/zinc/10/28/88/1067102888.db2.gz SFHAICZEABOOMB-ICSRJNTNSA-N 1 0 491.706 3.138 20 0 JGADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(F)c(Br)cc2C1 ZINC001304059911 1067103449 /nfs/dbraw/zinc/10/34/49/1067103449.db2.gz JEKXZPOGKXHUTB-KRWDZBQOSA-N 1 0 458.372 3.318 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCS[C@H](C(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001304060106 1067103593 /nfs/dbraw/zinc/10/35/93/1067103593.db2.gz WXDDAASKVFFEDT-IBGZPJMESA-N 1 0 493.747 3.465 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001302503966 1067104337 /nfs/dbraw/zinc/10/43/37/1067104337.db2.gz QCQBWKMISGHPCX-KOSHJBKYSA-N 1 0 462.708 3.360 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001302509588 1067116040 /nfs/dbraw/zinc/11/60/40/1067116040.db2.gz GKUMILIRQLPNEZ-IFMALSPDSA-N 1 0 474.694 3.424 20 0 JGADRO Cc1c(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)cnn1C ZINC001304073623 1067118277 /nfs/dbraw/zinc/11/82/77/1067118277.db2.gz FEGCWONWNLUDJU-UHFFFAOYSA-N 1 0 478.645 3.129 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001302510681 1067118697 /nfs/dbraw/zinc/11/86/97/1067118697.db2.gz NIXDSHNAOOVWEJ-RBBKRZOGSA-N 1 0 474.694 3.281 20 0 JGADRO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCCC1 ZINC001302511716 1067122995 /nfs/dbraw/zinc/12/29/95/1067122995.db2.gz WGLXFOLRCNERQZ-NRFANRHFSA-N 1 0 472.609 3.289 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+]2CCCC2)cnn1C ZINC001304079609 1067124250 /nfs/dbraw/zinc/12/42/50/1067124250.db2.gz OUQGXKOAPKBSCC-RUZDIDTESA-N 1 0 473.666 3.119 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001302513052 1067126914 /nfs/dbraw/zinc/12/69/14/1067126914.db2.gz HETGIFWDXCZAPK-XLIONFOSSA-N 1 0 478.435 3.290 20 0 JGADRO Cc1c(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)cnn1C ZINC001304081861 1067128169 /nfs/dbraw/zinc/12/81/69/1067128169.db2.gz NWLFKKZSDSXRGV-FQEVSTJZSA-N 1 0 499.635 3.471 20 0 JGADRO Cc1occc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001304082173 1067128772 /nfs/dbraw/zinc/12/87/72/1067128772.db2.gz WMSOHPRJHSVGKB-APWZRJJASA-N 1 0 492.671 3.325 20 0 JGADRO CSC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001302514032 1067129407 /nfs/dbraw/zinc/12/94/07/1067129407.db2.gz VGIMLPQAQIYBNV-UHFFFAOYSA-N 1 0 485.683 3.493 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cnn1C ZINC001304082721 1067129644 /nfs/dbraw/zinc/12/96/44/1067129644.db2.gz PPLQUHDWOPIGSY-QGZVFWFLSA-N 1 0 473.025 3.173 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CO)CC1)[NH+]1CCCC1 ZINC001302514110 1067130088 /nfs/dbraw/zinc/13/00/88/1067130088.db2.gz NWRDJNNEAGPZTO-IBGZPJMESA-N 1 0 465.440 3.365 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3ccccc3Cl)n2CCN2CC[N@H+](C)C(C)(C)C2)cnn1C ZINC001304083451 1067130191 /nfs/dbraw/zinc/13/01/91/1067130191.db2.gz KEPRBEWWXXHQAT-UHFFFAOYSA-N 1 0 471.053 3.303 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCC1 ZINC001302514786 1067131826 /nfs/dbraw/zinc/13/18/26/1067131826.db2.gz SQADXZIKYJSXIM-NRFANRHFSA-N 1 0 493.027 3.329 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001302514725 1067131854 /nfs/dbraw/zinc/13/18/54/1067131854.db2.gz RXWAPSRLLQIFKJ-QFIPXVFZSA-N 1 0 474.675 3.305 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)cnn1C ZINC001304089216 1067133406 /nfs/dbraw/zinc/13/34/06/1067133406.db2.gz SIABTXAMSJKCDF-IEBWSBKVSA-N 1 0 474.654 3.021 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)cnn1C ZINC001304089218 1067133417 /nfs/dbraw/zinc/13/34/17/1067133417.db2.gz SIABTXAMSJKCDF-PKOBYXMFSA-N 1 0 474.654 3.021 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC001302515254 1067133446 /nfs/dbraw/zinc/13/34/46/1067133446.db2.gz WKHIXWDRJUAJLI-HXUWFJFHSA-N 1 0 483.007 3.342 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001302515629 1067133715 /nfs/dbraw/zinc/13/37/15/1067133715.db2.gz ZPRPGOYZOGLVKP-OALUTQOASA-N 1 0 481.066 3.127 20 0 JGADRO CC(C)[C@H](Cn1c(C2CC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001302515858 1067134570 /nfs/dbraw/zinc/13/45/70/1067134570.db2.gz NWSLVVPDKOVXEG-UTKZUKDTSA-N 1 0 460.648 3.121 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)cnn1C ZINC001304092151 1067135706 /nfs/dbraw/zinc/13/57/06/1067135706.db2.gz RHUJCLYEHKCBGR-LJQANCHMSA-N 1 0 469.609 3.187 20 0 JGADRO Cc1occc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCC1 ZINC001304093255 1067137043 /nfs/dbraw/zinc/13/70/43/1067137043.db2.gz WZVFGDNCUAMVPC-FQEVSTJZSA-N 1 0 474.606 3.220 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cnn1C ZINC001304093807 1067137533 /nfs/dbraw/zinc/13/75/33/1067137533.db2.gz UDTVRTPNUJYMHJ-HXUWFJFHSA-N 1 0 487.599 3.182 20 0 JGADRO Cc1occc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304097240 1067138332 /nfs/dbraw/zinc/13/83/32/1067138332.db2.gz JSYVJWILYLWWHR-QZTJIDSGSA-N 1 0 486.642 3.307 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001302518768 1067138550 /nfs/dbraw/zinc/13/85/50/1067138550.db2.gz IKKCSACSPHCONO-NRFANRHFSA-N 1 0 453.635 3.155 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[NH+]1CCCC1 ZINC001302522305 1067142246 /nfs/dbraw/zinc/14/22/46/1067142246.db2.gz DURKZGMJSGEKDS-VLKRCARLSA-N 1 0 459.660 3.276 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302522891 1067142793 /nfs/dbraw/zinc/14/27/93/1067142793.db2.gz GGWDYTMKFUQQSA-MOPGFXCFSA-N 1 0 491.624 3.469 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1)[NH+]1CCCC1 ZINC001302523889 1067145226 /nfs/dbraw/zinc/14/52/26/1067145226.db2.gz LPMLXHCNJCZCFX-PKTZIBPZSA-N 1 0 476.710 3.087 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCCC1 ZINC001302525545 1067148673 /nfs/dbraw/zinc/14/86/73/1067148673.db2.gz NRXINTULUBXARC-GHTZIAJQSA-N 1 0 459.038 3.310 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001302525968 1067150031 /nfs/dbraw/zinc/15/00/31/1067150031.db2.gz UANGTSQBUULRJG-HBMCJLEFSA-N 1 0 476.666 3.396 20 0 JGADRO Cc1ccoc1Cn1c(-c2ccccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304109746 1067151635 /nfs/dbraw/zinc/15/16/35/1067151635.db2.gz IALFUJOVPKUWTO-UHFFFAOYSA-N 1 0 464.492 3.381 20 0 JGADRO 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Cc1cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2n1 ZINC001304194691 1067244106 /nfs/dbraw/zinc/24/41/06/1067244106.db2.gz BIYBYRNYPDCYCY-IBGZPJMESA-N 1 0 463.630 3.481 20 0 JGADRO CSC1(Cn2c(C3CC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001302610524 1067244089 /nfs/dbraw/zinc/24/40/89/1067244089.db2.gz AWADBFBRXBBTPJ-FUHWJXTLSA-N 1 0 464.680 3.332 20 0 JGADRO CSC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC[NH+](C)CC1 ZINC001302610323 1067244119 /nfs/dbraw/zinc/24/41/19/1067244119.db2.gz BDNKVAYACQNMMR-UXHICEINSA-N 1 0 492.734 3.131 20 0 JGADRO COC(=O)C[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(I)c1 ZINC001302611308 1067244905 /nfs/dbraw/zinc/24/49/05/1067244905.db2.gz SFRRJKUALKREAC-HYVNUMGLSA-N 1 0 458.340 3.132 20 0 JGADRO CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC[NH+](C)CC1 ZINC001302612093 1067245373 /nfs/dbraw/zinc/24/53/73/1067245373.db2.gz MCPURVGYFHXMTF-GOSISDBHSA-N 1 0 481.041 3.486 20 0 JGADRO CSC1(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC[NH+](C)CC1 ZINC001302614299 1067247686 /nfs/dbraw/zinc/24/76/86/1067247686.db2.gz VUYJFQZINHPAEK-QGZVFWFLSA-N 1 0 450.678 3.401 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302614384 1067247776 /nfs/dbraw/zinc/24/77/76/1067247776.db2.gz JZYQBMKKUPKSNJ-UHFFFAOYSA-N 1 0 467.662 3.283 20 0 JGADRO CSC1(Cn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccccc2F)CC[NH+](C)CC1 ZINC001302614457 1067248193 /nfs/dbraw/zinc/24/81/93/1067248193.db2.gz WOFFEEFKAQPGBC-SFHVURJKSA-N 1 0 463.623 3.264 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CCSC(F)(F)F ZINC001302615543 1067249607 /nfs/dbraw/zinc/24/96/07/1067249607.db2.gz ZWCUQDNKCHLEPL-UHFFFAOYSA-N 1 0 476.613 3.473 20 0 JGADRO CSC1(Cn2c(CC(C)C)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC[NH+](C)CC1 ZINC001302616284 1067249951 /nfs/dbraw/zinc/24/99/51/1067249951.db2.gz BCPYKUWPLUQCKK-UHFFFAOYSA-N 1 0 466.696 3.219 20 0 JGADRO CSC1(Cn2c(Cc3ccccc3C)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC[NH+](C)CC1 ZINC001302616968 1067250489 /nfs/dbraw/zinc/25/04/89/1067250489.db2.gz KCRCKTWYCPMLKV-VQTJNVASSA-N 1 0 493.743 3.263 20 0 JGADRO Cc1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)no1 ZINC001304203066 1067250526 /nfs/dbraw/zinc/25/05/26/1067250526.db2.gz WQWBSXWSHCZFIV-IAGOWNOFSA-N 1 0 459.982 3.426 20 0 JGADRO Cc1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)no1 ZINC001304204993 1067251431 /nfs/dbraw/zinc/25/14/31/1067251431.db2.gz KJRGQRAMCZNJQE-XLIONFOSSA-N 1 0 451.575 3.291 20 0 JGADRO CSC1(Cn2c(Cc3ccccn3)nnc2N2CCC(OC(C)C)CC2)CC[NH+](C)CC1 ZINC001302623051 1067252789 /nfs/dbraw/zinc/25/27/89/1067252789.db2.gz SSFMZZXXTPBKCX-UHFFFAOYSA-N 1 0 458.676 3.485 20 0 JGADRO Cc1cc(CN(C)c2nnc(Cc3c(F)cccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)no1 ZINC001304208822 1067253300 /nfs/dbraw/zinc/25/33/00/1067253300.db2.gz MCSFEGCSGVIOBB-UHFFFAOYSA-N 1 0 474.556 3.315 20 0 JGADRO Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)S[C@@H](C)C2)cc(N2CCCC2)[nH+]1 ZINC001304211974 1067255512 /nfs/dbraw/zinc/25/55/12/1067255512.db2.gz UXSKIBDSNHAQLL-ROUUACIJSA-N 1 0 457.648 3.098 20 0 JGADRO CSC1(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC[NH+](C)CC1 ZINC001302625963 1067255993 /nfs/dbraw/zinc/25/59/93/1067255993.db2.gz JLBUXTSXBBTAJR-QFIPXVFZSA-N 1 0 484.714 3.373 20 0 JGADRO CSC1(Cn2c(N(C)CCc3nccs3)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001302625668 1067256024 /nfs/dbraw/zinc/25/60/24/1067256024.db2.gz UXVOYMRFHUVSLW-HSZRJFAPSA-N 1 0 494.731 3.282 20 0 JGADRO CSC1(Cn2c(N3CC(C)(C)OC[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001302626022 1067256310 /nfs/dbraw/zinc/25/63/10/1067256310.db2.gz ZLBGKMFBWIIXKH-YADARESESA-N 1 0 481.707 3.150 20 0 JGADRO Cc1nnc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001304214180 1067256966 /nfs/dbraw/zinc/25/69/66/1067256966.db2.gz VVCAVMLJASUGNJ-UHFFFAOYSA-N 1 0 498.653 3.247 20 0 JGADRO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccc(Br)cc3)C[C@]2(C)C1 ZINC001304214287 1067257429 /nfs/dbraw/zinc/25/74/29/1067257429.db2.gz PAAIZDJSILQOPF-CEQIKUNHSA-N 1 0 452.393 3.425 20 0 JGADRO CC(C)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302629528 1067259640 /nfs/dbraw/zinc/25/96/40/1067259640.db2.gz PKJQNCGZJODNPO-CTNGQTDRSA-N 1 0 451.681 3.317 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001302632178 1067261047 /nfs/dbraw/zinc/26/10/47/1067261047.db2.gz ALJHKIYIUQSDJK-QHCPKHFHSA-N 1 0 482.677 3.148 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302633473 1067262572 /nfs/dbraw/zinc/26/25/72/1067262572.db2.gz NNBIPUMMHVQNLQ-SFHVURJKSA-N 1 0 480.583 3.058 20 0 JGADRO CC(C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302633472 1067262587 /nfs/dbraw/zinc/26/25/87/1067262587.db2.gz NNBIPUMMHVQNLQ-GOSISDBHSA-N 1 0 480.583 3.058 20 0 JGADRO CC(C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001302635225 1067264974 /nfs/dbraw/zinc/26/49/74/1067264974.db2.gz QTOBFVNTBVNZSX-YADHBBJMSA-N 1 0 484.645 3.120 20 0 JGADRO Cc1cc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[NH+](C(C)C)CC2)no1 ZINC001304227208 1067264944 /nfs/dbraw/zinc/26/49/44/1067264944.db2.gz IIWAECRPBLGBOS-IBGZPJMESA-N 1 0 459.595 3.225 20 0 JGADRO CSc1cc(Cn2c(C)nnc2N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)ccn1 ZINC001302636418 1067266093 /nfs/dbraw/zinc/26/60/93/1067266093.db2.gz IYPJGKXDGACOLD-UHFFFAOYSA-N 1 0 451.644 3.006 20 0 JGADRO Cc1cc(CN2CCN(c3nnc(Cc4ccc(F)cc4)n3CC(C)(C)C[NH+](C)C)CC2)no1 ZINC001304231284 1067268031 /nfs/dbraw/zinc/26/80/31/1067268031.db2.gz WOOAKFSIOIDNII-UHFFFAOYSA-N 1 0 469.609 3.214 20 0 JGADRO Cc1cc(CN2CCN(c3nnc(Cc4ccccc4F)n3CCC[N@@H+](C)C(C)C)CC2)no1 ZINC001304231203 1067268065 /nfs/dbraw/zinc/26/80/65/1067268065.db2.gz UUHQWERNPUYQJP-UHFFFAOYSA-N 1 0 469.609 3.357 20 0 JGADRO Cc1cccc(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001304240900 1067278073 /nfs/dbraw/zinc/27/80/73/1067278073.db2.gz OVIFLWXQNKVIFZ-GHTZIAJQSA-N 1 0 462.664 3.475 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001302654375 1067281865 /nfs/dbraw/zinc/28/18/65/1067281865.db2.gz HNJPDYJOCPWGAS-JOCHJYFZSA-N 1 0 468.646 3.176 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001302654324 1067282111 /nfs/dbraw/zinc/28/21/11/1067282111.db2.gz GQGIHLPCBFTRFG-XZOQPEGZSA-N 1 0 482.673 3.148 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc(-c3cccn3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001304249204 1067284389 /nfs/dbraw/zinc/28/43/89/1067284389.db2.gz DTMCOVBHDAKUOB-HSZRJFAPSA-N 1 0 466.630 3.464 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001302666290 1067293449 /nfs/dbraw/zinc/29/34/49/1067293449.db2.gz MXJIXUMYBMAFDP-SESVDKBCSA-N 1 0 498.763 3.407 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001302666289 1067293538 /nfs/dbraw/zinc/29/35/38/1067293538.db2.gz MXJIXUMYBMAFDP-HMXCVIKNSA-N 1 0 498.763 3.407 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001304259431 1067293666 /nfs/dbraw/zinc/29/36/66/1067293666.db2.gz YXLFYNDQYJAKOI-FGZHOGPDSA-N 1 0 498.672 3.112 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCC[NH+]2CCOCC2)C1 ZINC001302666735 1067293903 /nfs/dbraw/zinc/29/39/03/1067293903.db2.gz SBHGLRHDGMRQCA-ZJSXRUAMSA-N 1 0 481.707 3.153 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001302667357 1067294635 /nfs/dbraw/zinc/29/46/35/1067294635.db2.gz XVBHNRHXNZWXSY-FBLLAGFSSA-N 1 0 495.734 3.397 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1cccnc1OCC(F)(F)F ZINC001302670156 1067296339 /nfs/dbraw/zinc/29/63/39/1067296339.db2.gz ZDVKJLNXTUIAPO-SFHVURJKSA-N 1 0 482.551 3.335 20 0 JGADRO Cc1ccc(C(=O)NCCn2c([C@H]3CCCCO3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001304261595 1067296789 /nfs/dbraw/zinc/29/67/89/1067296789.db2.gz BRAMKMSLOFHJFS-JOCHJYFZSA-N 1 0 454.619 3.225 20 0 JGADRO CC(C)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001302678622 1067304756 /nfs/dbraw/zinc/30/47/56/1067304756.db2.gz HDPKRCQIAFDYIZ-JOCHJYFZSA-N 1 0 461.699 3.043 20 0 JGADRO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001302678623 1067304868 /nfs/dbraw/zinc/30/48/68/1067304868.db2.gz HDPKRCQIAFDYIZ-QFIPXVFZSA-N 1 0 461.699 3.043 20 0 JGADRO CC(C)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302681307 1067306773 /nfs/dbraw/zinc/30/67/73/1067306773.db2.gz PWFAVKWKFRDZTL-UHFFFAOYSA-N 1 0 462.589 3.242 20 0 JGADRO CC(C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001302681374 1067306985 /nfs/dbraw/zinc/30/69/85/1067306985.db2.gz RFBVZRFSWLAVMS-UHFFFAOYSA-N 1 0 467.662 3.482 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304274665 1067311594 /nfs/dbraw/zinc/31/15/94/1067311594.db2.gz QVQHQRKTYRMLII-VQTJNVASSA-N 1 0 477.675 3.252 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)[NH+](C)C)cc1 ZINC001304274975 1067312025 /nfs/dbraw/zinc/31/20/25/1067312025.db2.gz OWYMQWDOZVDKQY-GIVPXCGWSA-N 1 0 486.642 3.087 20 0 JGADRO Cc1ccc([C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccoc2)[NH+]2CCCC2)cc1 ZINC001304274829 1067312099 /nfs/dbraw/zinc/31/20/99/1067312099.db2.gz NOUODOYEUQLESH-DENIHFKCSA-N 1 0 486.642 3.263 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302689151 1067313578 /nfs/dbraw/zinc/31/35/78/1067313578.db2.gz IRAMGOQRPKJRST-XMMPIXPASA-N 1 0 499.679 3.414 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001304276035 1067314164 /nfs/dbraw/zinc/31/41/64/1067314164.db2.gz RZQROOSOXFLBAN-YZIHRLCOSA-N 1 0 468.646 3.482 20 0 JGADRO Cc1ccc([C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)OC2CCCC2)[NH+]2CCCC2)cc1 ZINC001304276368 1067314570 /nfs/dbraw/zinc/31/45/70/1067314570.db2.gz SQGSSUZSJIKDKW-SIKLNZKXSA-N 1 0 490.674 3.344 20 0 JGADRO Cc1ccc([C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)OC2CCCC2)[NH+]2CCCC2)cc1 ZINC001304276366 1067314854 /nfs/dbraw/zinc/31/48/54/1067314854.db2.gz SQGSSUZSJIKDKW-DENIHFKCSA-N 1 0 490.674 3.344 20 0 JGADRO Cc1ccc([C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)[NH+](C)C)cc1 ZINC001304277988 1067317326 /nfs/dbraw/zinc/31/73/26/1067317326.db2.gz HQRBSRIMMOFBNW-XZOQPEGZSA-N 1 0 468.646 3.088 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001304278544 1067318280 /nfs/dbraw/zinc/31/82/80/1067318280.db2.gz SBHSJWDJVGNLFA-NJDAHSKKSA-N 1 0 477.675 3.216 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302693562 1067318502 /nfs/dbraw/zinc/31/85/02/1067318502.db2.gz ULSHRWMQHYVVIK-QHCPKHFHSA-N 1 0 481.563 3.400 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001302695010 1067320400 /nfs/dbraw/zinc/32/04/00/1067320400.db2.gz DDAMICGCFORKOX-MGPUTAFESA-N 1 0 484.439 3.245 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC[NH+]2CCSCC2)c1 ZINC001304281045 1067321847 /nfs/dbraw/zinc/32/18/47/1067321847.db2.gz AQNNRGQSJGXVSV-NRFANRHFSA-N 1 0 459.660 3.386 20 0 JGADRO CC(C)c1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001302697761 1067323065 /nfs/dbraw/zinc/32/30/65/1067323065.db2.gz IDOCMITYHDXDDC-VWNXMTODSA-N 1 0 454.663 3.328 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001304282206 1067323081 /nfs/dbraw/zinc/32/30/81/1067323081.db2.gz LJEHCKIYAREKKH-QFIPXVFZSA-N 1 0 471.646 3.184 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001302698682 1067323991 /nfs/dbraw/zinc/32/39/91/1067323991.db2.gz LZWPVEZKSKCCAY-UHFFFAOYSA-N 1 0 482.654 3.353 20 0 JGADRO 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Cc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC001304314761 1067362165 /nfs/dbraw/zinc/36/21/65/1067362165.db2.gz USYPLKOBKLNDKW-HOYKHHGWSA-N 1 0 492.690 3.217 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC001304314762 1067362189 /nfs/dbraw/zinc/36/21/89/1067362189.db2.gz USYPLKOBKLNDKW-KOSHJBKYSA-N 1 0 492.690 3.217 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(O)CCOC2)cc1Br ZINC001304314998 1067362712 /nfs/dbraw/zinc/36/27/12/1067362712.db2.gz NDTABXXPRRZBAT-JOCHJYFZSA-N 1 0 478.435 3.134 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)o1 ZINC001304321822 1067368756 /nfs/dbraw/zinc/36/87/56/1067368756.db2.gz DEFJAXRHDBVANT-SFHVURJKSA-N 1 0 469.590 3.373 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@@H]2CC(F)(F)CO2)o1 ZINC001304323264 1067370949 /nfs/dbraw/zinc/37/09/49/1067370949.db2.gz AICWKMGZYLPEEG-INIZCTEOSA-N 1 0 493.477 3.362 20 0 JGADRO 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CSCCCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302776268 1067373670 /nfs/dbraw/zinc/37/36/70/1067373670.db2.gz IDSDXKTXDKXNDX-UHFFFAOYSA-N 1 0 499.523 3.471 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)o1 ZINC001304325178 1067373715 /nfs/dbraw/zinc/37/37/15/1067373715.db2.gz UBNPISNNAMHJMM-PXDATVDWSA-N 1 0 453.587 3.109 20 0 JGADRO CSCCCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302782518 1067376412 /nfs/dbraw/zinc/37/64/12/1067376412.db2.gz AMMDKLBTIHHANH-UHFFFAOYSA-N 1 0 469.663 3.232 20 0 JGADRO Cc1ccc(-c2nnc(N3CCOCC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Br ZINC001304328816 1067377198 /nfs/dbraw/zinc/37/71/98/1067377198.db2.gz XQTWBGGRJWUZEX-IBGZPJMESA-N 1 0 478.435 3.209 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC001302784712 1067377654 /nfs/dbraw/zinc/37/76/54/1067377654.db2.gz XKHOWDLGPYONCU-QHCPKHFHSA-N 1 0 468.646 3.150 20 0 JGADRO CSCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001302788415 1067379990 /nfs/dbraw/zinc/37/99/90/1067379990.db2.gz IOIAPLLCDAITPF-QFIPXVFZSA-N 1 0 491.727 3.282 20 0 JGADRO CSCCCN(C)c1nnc([C@H]2CCOC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001302789267 1067380688 /nfs/dbraw/zinc/38/06/88/1067380688.db2.gz NCHOXSYEJGIXFF-FQEVSTJZSA-N 1 0 451.681 3.254 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC001304337450 1067383108 /nfs/dbraw/zinc/38/31/08/1067383108.db2.gz FISNTTJXFDVRPI-HKUYNNGSSA-N 1 0 492.671 3.325 20 0 JGADRO CC(C)[C@H]1OCC[C@@H]1Cn1c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001302793376 1067384282 /nfs/dbraw/zinc/38/42/82/1067384282.db2.gz IOMDWIXPCXFPPR-DHIUTWEWSA-N 1 0 488.721 3.455 20 0 JGADRO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001302798482 1067387268 /nfs/dbraw/zinc/38/72/68/1067387268.db2.gz YDLVFWWNEVAJCB-OYRHQHFDSA-N 1 0 490.737 3.159 20 0 JGADRO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cn1 ZINC001304345731 1067388261 /nfs/dbraw/zinc/38/82/61/1067388261.db2.gz OVUSUEWULADHGE-OAQYLSRUSA-N 1 0 461.614 3.269 20 0 JGADRO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)CC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC001304346140 1067388601 /nfs/dbraw/zinc/38/86/01/1067388601.db2.gz WFEMGZNVCJOFCU-UHFFFAOYSA-N 1 0 481.670 3.093 20 0 JGADRO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001302799786 1067389053 /nfs/dbraw/zinc/38/90/53/1067389053.db2.gz SVONCGKICZDFFH-UHFFFAOYSA-N 1 0 497.507 3.348 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCCCC2)C1)[NH+](C)C ZINC001302801713 1067390542 /nfs/dbraw/zinc/39/05/42/1067390542.db2.gz AFWMADLQXADMBP-HXUWFJFHSA-N 1 0 469.634 3.441 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC001302802977 1067391590 /nfs/dbraw/zinc/39/15/90/1067391590.db2.gz IANQZPRAPJWMAL-RBUKOAKNSA-N 1 0 472.638 3.037 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(Cl)nc2C1)[NH+](C)C ZINC001302804448 1067392520 /nfs/dbraw/zinc/39/25/20/1067392520.db2.gz QNXQGQHWBIBIFM-GOSISDBHSA-N 1 0 460.026 3.102 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC2(CNC(=O)C2)CC1)[NH+](C)C ZINC001302807444 1067394806 /nfs/dbraw/zinc/39/48/06/1067394806.db2.gz GAOHGCOHQPCXAI-SFHVURJKSA-N 1 0 460.026 3.076 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001302807452 1067394815 /nfs/dbraw/zinc/39/48/15/1067394815.db2.gz GBESZOKQDQARGQ-WBVHZDCISA-N 1 0 495.441 3.490 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCOC1)[NH+](C)C ZINC001302808028 1067396031 /nfs/dbraw/zinc/39/60/31/1067396031.db2.gz LXOUAFFOVJNYGJ-IAGOWNOFSA-N 1 0 453.429 3.248 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC001302808207 1067396167 /nfs/dbraw/zinc/39/61/67/1067396167.db2.gz NKWJQADMVLONND-VWPQPMDRSA-N 1 0 474.675 3.160 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)[NH+](C)C ZINC001302809115 1067397469 /nfs/dbraw/zinc/39/74/69/1067397469.db2.gz UMFGHEIJWAPIOK-SFTDATJTSA-N 1 0 468.712 3.209 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccs1)[NH+](C)C ZINC001302809282 1067397754 /nfs/dbraw/zinc/39/77/54/1067397754.db2.gz UWYXQRUVZAZFFP-KZNAEPCWSA-N 1 0 468.693 3.268 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1C)[NH+](C)C ZINC001302809126 1067397766 /nfs/dbraw/zinc/39/77/66/1067397766.db2.gz UUFCQDLRVRWSFP-AZUAARDMSA-N 1 0 462.664 3.160 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001302809628 1067398384 /nfs/dbraw/zinc/39/83/84/1067398384.db2.gz YDXZZDLRPLGQCV-VQTJNVASSA-N 1 0 470.643 3.093 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001302809431 1067398430 /nfs/dbraw/zinc/39/84/30/1067398430.db2.gz WJYSPQXZRHJVGG-RLLQIKCJSA-N 1 0 495.466 3.396 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001302809597 1067398453 /nfs/dbraw/zinc/39/84/53/1067398453.db2.gz XNNAAPUSCBAZQV-AZUAARDMSA-N 1 0 488.658 3.138 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001302811886 1067399331 /nfs/dbraw/zinc/39/93/31/1067399331.db2.gz MLKSMOCWZHHGGE-IBGZPJMESA-N 1 0 481.567 3.211 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001302811626 1067399374 /nfs/dbraw/zinc/39/93/74/1067399374.db2.gz JHBUQWZXLHKVPS-RBBKRZOGSA-N 1 0 476.691 3.029 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001302811887 1067399383 /nfs/dbraw/zinc/39/93/83/1067399383.db2.gz MLKSMOCWZHHGGE-LJQANCHMSA-N 1 0 481.567 3.211 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1)[NH+](C)C ZINC001302812748 1067399927 /nfs/dbraw/zinc/39/99/27/1067399927.db2.gz SQCSQAYZKBYHKH-HSZRJFAPSA-N 1 0 477.657 3.151 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cnn(-c2ccccc2)n1)[NH+](C)C ZINC001302812776 1067399956 /nfs/dbraw/zinc/39/99/56/1067399956.db2.gz UDUFOEZMKBMBPM-JOCHJYFZSA-N 1 0 461.618 3.477 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cnn(-c2ccccc2)n1)[NH+](C)C ZINC001302812777 1067400021 /nfs/dbraw/zinc/40/00/21/1067400021.db2.gz UDUFOEZMKBMBPM-QFIPXVFZSA-N 1 0 461.618 3.477 20 0 JGADRO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC(C)C)CC2)s1 ZINC001304363187 1067401438 /nfs/dbraw/zinc/40/14/38/1067401438.db2.gz ZDWHNUPDAKKJOR-UHFFFAOYSA-N 1 0 458.657 3.466 20 0 JGADRO CSCCCn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001302815345 1067402266 /nfs/dbraw/zinc/40/22/66/1067402266.db2.gz NPVOFTXLVSTNDU-UHFFFAOYSA-N 1 0 457.623 3.207 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1)[NH+](C)C ZINC001302816249 1067402916 /nfs/dbraw/zinc/40/29/16/1067402916.db2.gz FXPCIWZUCJONFA-OAQYLSRUSA-N 1 0 497.047 3.327 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ccccc2)C1)[NH+](C)C ZINC001302815710 1067402954 /nfs/dbraw/zinc/40/29/54/1067402954.db2.gz ABHKJKIYWQGFFQ-BAGYTPMASA-N 1 0 454.619 3.253 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001302816486 1067403164 /nfs/dbraw/zinc/40/31/64/1067403164.db2.gz IGCGOMQANGPESG-DENIHFKCSA-N 1 0 495.672 3.420 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001302816406 1067403180 /nfs/dbraw/zinc/40/31/80/1067403180.db2.gz GUCUYEGWVQONTM-AZUAARDMSA-N 1 0 474.654 3.101 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC001304364945 1067403216 /nfs/dbraw/zinc/40/32/16/1067403216.db2.gz JMWCUQPZHSTXBU-FXAWDEMLSA-N 1 0 480.654 3.093 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001302817052 1067404132 /nfs/dbraw/zinc/40/41/32/1067404132.db2.gz CJXCMSVFFHYTOC-DENIHFKCSA-N 1 0 477.650 3.465 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccc(F)cc1)C1CC1)[NH+](C)C ZINC001302817056 1067404188 /nfs/dbraw/zinc/40/41/88/1067404188.db2.gz CJXCMSVFFHYTOC-UGKGYDQZSA-N 1 0 477.650 3.465 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001304365431 1067404159 /nfs/dbraw/zinc/40/41/59/1067404159.db2.gz LCALILVLVYTJBP-HXUWFJFHSA-N 1 0 453.566 3.056 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC001302817397 1067404648 /nfs/dbraw/zinc/40/46/48/1067404648.db2.gz DCLOEMLOPUYKIR-NCYKPQTJSA-N 1 0 494.681 3.176 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001302817899 1067405167 /nfs/dbraw/zinc/40/51/67/1067405167.db2.gz GZRKJJPWNOCVHX-LADGPHEKSA-N 1 0 482.673 3.499 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001302819382 1067407038 /nfs/dbraw/zinc/40/70/38/1067407038.db2.gz AARLMNBITLFOLT-HXUWFJFHSA-N 1 0 477.057 3.068 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302819750 1067407077 /nfs/dbraw/zinc/40/70/77/1067407077.db2.gz QHRJNMNFUNJRPY-RTBURBONSA-N 1 0 472.638 3.205 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1)[NH+](C)C ZINC001302820282 1067407391 /nfs/dbraw/zinc/40/73/91/1067407391.db2.gz OKRMCFYLJOZXLF-DHIUTWEWSA-N 1 0 469.609 3.086 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001302820475 1067407838 /nfs/dbraw/zinc/40/78/38/1067407838.db2.gz SDQNMYAWSVLEIN-IBGZPJMESA-N 1 0 456.616 3.145 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1)[NH+](C)C ZINC001302820632 1067408293 /nfs/dbraw/zinc/40/82/93/1067408293.db2.gz RLWKLKFJYWSBHV-MISYRCLQSA-N 1 0 463.648 3.060 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1)[NH+](C)C ZINC001302820634 1067408686 /nfs/dbraw/zinc/40/86/86/1067408686.db2.gz RLWKLKFJYWSBHV-YZGWKJHDSA-N 1 0 463.648 3.060 20 0 JGADRO CC(C)C[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001302821339 1067409667 /nfs/dbraw/zinc/40/96/67/1067409667.db2.gz WUMGOUJMZVIRDQ-FYYLOGMGSA-N 1 0 473.710 3.045 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+](C)C ZINC001302821471 1067410010 /nfs/dbraw/zinc/41/00/10/1067410010.db2.gz WPWVWABFSPABLD-VXKWHMMOSA-N 1 0 462.683 3.232 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)CC2)cc1C ZINC001304371772 1067410168 /nfs/dbraw/zinc/41/01/68/1067410168.db2.gz PQFVMFHDQBJYGT-DEOSSOPVSA-N 1 0 481.689 3.480 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001302821750 1067410541 /nfs/dbraw/zinc/41/05/41/1067410541.db2.gz YLTLNHIRTOQGPS-UIFIKXQLSA-N 1 0 476.572 3.062 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001302821745 1067410600 /nfs/dbraw/zinc/41/06/00/1067410600.db2.gz YLTLNHIRTOQGPS-JRGCBEDISA-N 1 0 476.572 3.062 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1)[NH+](C)C ZINC001302822025 1067410954 /nfs/dbraw/zinc/41/09/54/1067410954.db2.gz ZVJUUYUAQPWVGH-PKTZIBPZSA-N 1 0 470.662 3.231 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(O)cc1)[NH+](C)C ZINC001302822352 1067411495 /nfs/dbraw/zinc/41/14/95/1067411495.db2.gz NDKSLLNRZLIVEE-IRLDBZIGSA-N 1 0 454.619 3.424 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001302822960 1067411848 /nfs/dbraw/zinc/41/18/48/1067411848.db2.gz QLKHFJXKWAIGOY-PKOBYXMFSA-N 1 0 463.026 3.154 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)[NH+](C)C ZINC001304373852 1067412062 /nfs/dbraw/zinc/41/20/62/1067412062.db2.gz DKTJGHPAUWFNBM-QGZVFWFLSA-N 1 0 452.607 3.084 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+](C)C ZINC001302824292 1067412760 /nfs/dbraw/zinc/41/27/60/1067412760.db2.gz YVFXKEOXLXNDSX-FPOVZHCZSA-N 1 0 453.635 3.497 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(NC(=O)C2CC2)CC1)[NH+](C)C ZINC001302824315 1067413425 /nfs/dbraw/zinc/41/34/25/1067413425.db2.gz ZBENAOAZJXCASY-NRFANRHFSA-N 1 0 458.676 3.402 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001302824507 1067413852 /nfs/dbraw/zinc/41/38/52/1067413852.db2.gz MLLSTGBQEQYULW-QZNHQXDQSA-N 1 0 484.693 3.290 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O)[NH+](C)C ZINC001302824869 1067414207 /nfs/dbraw/zinc/41/42/07/1067414207.db2.gz VKOYSOCFIHUIOF-QYZOEREBSA-N 1 0 479.670 3.027 20 0 JGADRO CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001302827839 1067417742 /nfs/dbraw/zinc/41/77/42/1067417742.db2.gz WKTMIRIIVBNENI-OKYOBFRVSA-N 1 0 464.680 3.475 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001304376812 1067418919 /nfs/dbraw/zinc/41/89/19/1067418919.db2.gz BBEAONPBAAQHBA-JOCHJYFZSA-N 1 0 495.672 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Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001304406645 1067470537 /nfs/dbraw/zinc/47/05/37/1067470537.db2.gz UXZDTEQFBBGJBO-SWYRRKHMSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCCC[NH+]2CCCC2)cc1 ZINC001304406946 1067471090 /nfs/dbraw/zinc/47/10/90/1067471090.db2.gz XIDRJFXOICNLBF-OAQYLSRUSA-N 1 0 454.619 3.099 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001304407214 1067472017 /nfs/dbraw/zinc/47/20/17/1067472017.db2.gz YUCHPYIWRUAHSM-PZJWPPBQSA-N 1 0 466.586 3.037 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001304407225 1067472104 /nfs/dbraw/zinc/47/21/04/1067472104.db2.gz YYMRTCXOBYZVPR-VXKWHMMOSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[NH+]2CCCC2)cc1C ZINC001304407766 1067472566 /nfs/dbraw/zinc/47/25/66/1067472566.db2.gz AASZYGQJPGHEAA-UHFFFAOYSA-N 1 0 454.619 3.052 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CCC[NH+]1CCCCC1 ZINC001302892524 1067472966 /nfs/dbraw/zinc/47/29/66/1067472966.db2.gz ILEHSGFMAGUTKI-UHFFFAOYSA-N 1 0 458.573 3.248 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001304409574 1067475342 /nfs/dbraw/zinc/47/53/42/1067475342.db2.gz QJCLNAVDFWGDBD-OAQYLSRUSA-N 1 0 468.646 3.379 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001304410466 1067476522 /nfs/dbraw/zinc/47/65/22/1067476522.db2.gz FNEHTIYTTGMNAU-DEOSSOPVSA-N 1 0 484.689 3.443 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001302896494 1067477493 /nfs/dbraw/zinc/47/74/93/1067477493.db2.gz IHPJAPHYIRZFCG-FQEVSTJZSA-N 1 0 475.659 3.024 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001304410875 1067477605 /nfs/dbraw/zinc/47/76/05/1067477605.db2.gz MIPCGUOZYADSBA-UNMCSNQZSA-N 1 0 477.675 3.074 20 0 JGADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001302898442 1067480088 /nfs/dbraw/zinc/48/00/88/1067480088.db2.gz GCAHJAWVKJHMHT-KDURUIRLSA-N 1 0 468.627 3.015 20 0 JGADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCCC2)C[C@H](C)C1(F)F ZINC001302898427 1067480111 /nfs/dbraw/zinc/48/01/11/1067480111.db2.gz FKMPXVWKJXLWDW-IYBDPMFKSA-N 1 0 452.575 3.093 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc(COc4ccc(C)cc4)n3CC[N@@H+](C)C(C)C)CC2)no1 ZINC001304411668 1067480064 /nfs/dbraw/zinc/48/00/64/1067480064.db2.gz VSRKRCONGKEPQU-UHFFFAOYSA-N 1 0 495.628 3.201 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001304412971 1067482328 /nfs/dbraw/zinc/48/23/28/1067482328.db2.gz PROVHPVQGDQKFM-LVXARBLLSA-N 1 0 468.646 3.167 20 0 JGADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302900001 1067482457 /nfs/dbraw/zinc/48/24/57/1067482457.db2.gz PTZCBNQXQTTWAU-VWLOTQADSA-N 1 0 488.677 3.452 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302900193 1067482961 /nfs/dbraw/zinc/48/29/61/1067482961.db2.gz SFDOVUPOIDTRBG-UGKGYDQZSA-N 1 0 453.635 3.037 20 0 JGADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[NH+]1CCSCC1 ZINC001302900257 1067483006 /nfs/dbraw/zinc/48/30/06/1067483006.db2.gz UOYKVCGRCJLDFO-UHFFFAOYSA-N 1 0 474.650 3.063 20 0 JGADRO CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC[NH+]1CCSCC1 ZINC001302901219 1067484539 /nfs/dbraw/zinc/48/45/39/1067484539.db2.gz OIWOKSIBQRURNC-UHFFFAOYSA-N 1 0 466.055 3.017 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCC(=O)NC2CC2)cc1C ZINC001304414831 1067485117 /nfs/dbraw/zinc/48/51/17/1067485117.db2.gz JVCHNNRRJVWVTN-UHFFFAOYSA-N 1 0 468.646 3.453 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001304415328 1067486262 /nfs/dbraw/zinc/48/62/62/1067486262.db2.gz BCLHXLTYAIMSAD-FYYLOGMGSA-N 1 0 489.686 3.362 20 0 JGADRO 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Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCc2cnn(C)n2)cc1C ZINC001304418293 1067492273 /nfs/dbraw/zinc/49/22/73/1067492273.db2.gz FHKLHAHWYNUBJH-UHFFFAOYSA-N 1 0 466.634 3.013 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001302911485 1067497142 /nfs/dbraw/zinc/49/71/42/1067497142.db2.gz WOCLZZDWKKEFFT-IPELMVKDSA-N 1 0 461.010 3.189 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(CCOc2ccccc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302915046 1067499108 /nfs/dbraw/zinc/49/91/08/1067499108.db2.gz QVWMSHVFKORTPC-QFIPXVFZSA-N 1 0 484.689 3.177 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001302920160 1067501409 /nfs/dbraw/zinc/50/14/09/1067501409.db2.gz RDOLDKYFSSDTTB-NFBKMPQASA-N 1 0 452.647 3.463 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001302920320 1067501737 /nfs/dbraw/zinc/50/17/37/1067501737.db2.gz SJJHZUDYGICBRJ-NJDAHSKKSA-N 1 0 451.681 3.002 20 0 JGADRO FC(F)(Br)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302921978 1067502182 /nfs/dbraw/zinc/50/21/82/1067502182.db2.gz AQNTYVRDBYGUCE-HNNXBMFYSA-N 1 0 462.383 3.472 20 0 JGADRO Cc1ccc(OCc2nnc(Nc3cnn(C)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001304425048 1067502149 /nfs/dbraw/zinc/50/21/49/1067502149.db2.gz HSVSYKLQSIBWKO-BGYRXZFFSA-N 1 0 453.591 3.450 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001304425128 1067502266 /nfs/dbraw/zinc/50/22/66/1067502266.db2.gz LGKZKYJALLKXOF-OAQYLSRUSA-N 1 0 454.619 3.004 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001302922212 1067502377 /nfs/dbraw/zinc/50/23/77/1067502377.db2.gz BGFFRYNIELZJOJ-QFIPXVFZSA-N 1 0 456.610 3.339 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302922802 1067502825 /nfs/dbraw/zinc/50/28/25/1067502825.db2.gz JKSQXSHXSGVAPQ-RBUKOAKNSA-N 1 0 483.583 3.380 20 0 JGADRO 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JGADRO CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001302932007 1067507556 /nfs/dbraw/zinc/50/75/56/1067507556.db2.gz ROZHJANNWDCHRN-QTEQDKRBSA-N 1 0 453.697 3.391 20 0 JGADRO Cc1ccc(OCCn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC001304430065 1067507624 /nfs/dbraw/zinc/50/76/24/1067507624.db2.gz UDIVWZCIWKSFFC-DEOSSOPVSA-N 1 0 470.662 3.020 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304430600 1067508244 /nfs/dbraw/zinc/50/82/44/1067508244.db2.gz YSLZZJGJNGIZEK-VXKWHMMOSA-N 1 0 457.619 3.107 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001302933974 1067509068 /nfs/dbraw/zinc/50/90/68/1067509068.db2.gz SDNSPBTVZZJWTB-DEOSSOPVSA-N 1 0 482.673 3.186 20 0 JGADRO CC(C)Cc1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302937061 1067510143 /nfs/dbraw/zinc/51/01/43/1067510143.db2.gz HYWREIKTLPNODG-DNQXCXABSA-N 1 0 482.673 3.387 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001304432792 1067511532 /nfs/dbraw/zinc/51/15/32/1067511532.db2.gz GWSWQGIAFHZCKB-HKUYNNGSSA-N 1 0 454.600 3.086 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304433223 1067512295 /nfs/dbraw/zinc/51/22/95/1067512295.db2.gz AFYYHVUNJXNTSC-RUZDIDTESA-N 1 0 499.685 3.034 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302940270 1067514625 /nfs/dbraw/zinc/51/46/25/1067514625.db2.gz YGXFWICAKURFJU-UHFFFAOYSA-N 1 0 474.600 3.449 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302940318 1067514693 /nfs/dbraw/zinc/51/46/93/1067514693.db2.gz ZGFHMBJSOHZJJG-OAQYLSRUSA-N 1 0 468.646 3.265 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302940299 1067514729 /nfs/dbraw/zinc/51/47/29/1067514729.db2.gz YTUCMTRQNXORDH-OAQYLSRUSA-N 1 0 456.635 3.400 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001304436730 1067515193 /nfs/dbraw/zinc/51/51/93/1067515193.db2.gz AFALMZIQFCOFQS-WOJBJXKFSA-N 1 0 456.660 3.312 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@H]4OCCC[C@@H]4C3)n2CCOCC[NH+](C)C)cc1 ZINC001304436987 1067515979 /nfs/dbraw/zinc/51/59/79/1067515979.db2.gz FBUYICOMPRTFSI-IFMALSPDSA-N 1 0 459.660 3.462 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001302943071 1067516248 /nfs/dbraw/zinc/51/62/48/1067516248.db2.gz CUTVKMSEKYGYNT-QFIPXVFZSA-N 1 0 459.683 3.325 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001304437384 1067516545 /nfs/dbraw/zinc/51/65/45/1067516545.db2.gz PJUSYKOJUXBUAD-UHFFFAOYSA-N 1 0 456.660 3.327 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001304437595 1067516915 /nfs/dbraw/zinc/51/69/15/1067516915.db2.gz FBGDMKVOQYCILR-UHFFFAOYSA-N 1 0 479.654 3.342 20 0 JGADRO FC(F)(F)SCCn1c(Cc2ccccn2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001302944203 1067517095 /nfs/dbraw/zinc/51/70/95/1067517095.db2.gz CUGUYTBUZSYYJK-UHFFFAOYSA-N 1 0 470.565 3.066 20 0 JGADRO FC(F)C(F)(F)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCCCC2)CC1 ZINC001302945970 1067519205 /nfs/dbraw/zinc/51/92/05/1067519205.db2.gz XVUDRCXHOKIDFN-KRWDZBQOSA-N 1 0 462.536 3.028 20 0 JGADRO Cc1ccc(SCCn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001304440989 1067521435 /nfs/dbraw/zinc/52/14/35/1067521435.db2.gz OEOVCUMXQOUJPL-UHFFFAOYSA-N 1 0 456.660 3.422 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001304441074 1067521816 /nfs/dbraw/zinc/52/18/16/1067521816.db2.gz QPEGVQNZTDYAMB-OYRHEFFESA-N 1 0 491.727 3.482 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001304442622 1067524097 /nfs/dbraw/zinc/52/40/97/1067524097.db2.gz JOEZSAOWKVAGFY-RBUKOAKNSA-N 1 0 460.648 3.013 20 0 JGADRO FC(F)COCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001302953012 1067525308 /nfs/dbraw/zinc/52/53/08/1067525308.db2.gz PBKKXTMFNMGIEA-GOSISDBHSA-N 1 0 455.937 3.181 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001304443422 1067525489 /nfs/dbraw/zinc/52/54/89/1067525489.db2.gz RCJXNLCALATVOQ-UZLBHIALSA-N 1 0 474.656 3.255 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C3Cc4ccccc4C3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001302953681 1067525612 /nfs/dbraw/zinc/52/56/12/1067525612.db2.gz ARMWFLOHLIKEHK-UHFFFAOYSA-N 1 0 468.646 3.291 20 0 JGADRO FC(F)COCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCCCC1 ZINC001302954444 1067526002 /nfs/dbraw/zinc/52/60/02/1067526002.db2.gz KRKSNKTYJJAGTO-UHFFFAOYSA-N 1 0 462.589 3.305 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@](C)(O)c1cccs1 ZINC001302957861 1067529236 /nfs/dbraw/zinc/52/92/36/1067529236.db2.gz VWSQKXLWFUTKDY-VWLOTQADSA-N 1 0 474.719 3.441 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001302958491 1067530139 /nfs/dbraw/zinc/53/01/39/1067530139.db2.gz DJNSEHFDTBLTRJ-VWLOTQADSA-N 1 0 495.716 3.304 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001304448613 1067530400 /nfs/dbraw/zinc/53/04/00/1067530400.db2.gz SJCFCVBZDHREIL-QFIPXVFZSA-N 1 0 481.689 3.437 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001302959611 1067531529 /nfs/dbraw/zinc/53/15/29/1067531529.db2.gz YIQJUOBRKXGIQV-DEOSSOPVSA-N 1 0 487.737 3.122 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCCN(C)c1ccccc1F ZINC001302964441 1067535033 /nfs/dbraw/zinc/53/50/33/1067535033.db2.gz GFLZKMXCNLCVCR-OAQYLSRUSA-N 1 0 458.626 3.301 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC001304453813 1067535222 /nfs/dbraw/zinc/53/52/22/1067535222.db2.gz YSOPNKKFDHTBIZ-QFIPXVFZSA-N 1 0 461.614 3.274 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001304458097 1067538266 /nfs/dbraw/zinc/53/82/66/1067538266.db2.gz QKVMWSXECLYLIS-OAQYLSRUSA-N 1 0 461.039 3.109 20 0 JGADRO CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302971620 1067539685 /nfs/dbraw/zinc/53/96/85/1067539685.db2.gz UQPKRXCGGMUENK-LJQANCHMSA-N 1 0 457.570 3.149 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001302971701 1067539806 /nfs/dbraw/zinc/53/98/06/1067539806.db2.gz GZSLYJORQVQBET-NRFANRHFSA-N 1 0 480.579 3.062 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCOc3ccc(F)cc3)n2CC[NH+]2CCSCC2)n1 ZINC001304462556 1067540704 /nfs/dbraw/zinc/54/07/04/1067540704.db2.gz WFJDRIGDUYOIDH-UHFFFAOYSA-N 1 0 456.591 3.352 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001302975142 1067541575 /nfs/dbraw/zinc/54/15/75/1067541575.db2.gz JUXHSUQTISOTED-FQEVSTJZSA-N 1 0 464.655 3.081 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302975479 1067541712 /nfs/dbraw/zinc/54/17/12/1067541712.db2.gz KOYNPGWCNAVLDT-WOJBJXKFSA-N 1 0 478.682 3.327 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304463781 1067541884 /nfs/dbraw/zinc/54/18/84/1067541884.db2.gz HZYGZWMCEJPLNO-WIYYLYMNSA-N 1 0 499.660 3.109 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304465092 1067543297 /nfs/dbraw/zinc/54/32/97/1067543297.db2.gz MUBHTEHPZZEIBE-FBBABVLZSA-N 1 0 469.634 3.482 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304465659 1067543876 /nfs/dbraw/zinc/54/38/76/1067543876.db2.gz OBBPJNATHVNLTA-MOPGFXCFSA-N 1 0 493.578 3.274 20 0 JGADRO CC(C)Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001302981492 1067546168 /nfs/dbraw/zinc/54/61/68/1067546168.db2.gz DPZNJLVVQFEWFG-UHFFFAOYSA-N 1 0 451.681 3.289 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001304467988 1067546781 /nfs/dbraw/zinc/54/67/81/1067546781.db2.gz MNXFAHCPKYHUAA-YKSBVNFPSA-N 1 0 468.005 3.307 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304468752 1067547649 /nfs/dbraw/zinc/54/76/49/1067547649.db2.gz HLERJUNPWHKLTE-TZIWHRDSSA-N 1 0 467.662 3.464 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001304468922 1067547874 /nfs/dbraw/zinc/54/78/74/1067547874.db2.gz JTLOKMKWCWJEGI-NRFANRHFSA-N 1 0 469.634 3.482 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2CCOC(C)C)n1 ZINC001304469183 1067548381 /nfs/dbraw/zinc/54/83/81/1067548381.db2.gz NQWUZFBZLAEWCB-UHFFFAOYSA-N 1 0 455.651 3.068 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001304469745 1067548640 /nfs/dbraw/zinc/54/86/40/1067548640.db2.gz QSEHYWLJUOFZGV-IBGZPJMESA-N 1 0 453.635 3.075 20 0 JGADRO Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001304469721 1067548930 /nfs/dbraw/zinc/54/89/30/1067548930.db2.gz VETQBUUFTDYMME-UHFFFAOYSA-N 1 0 465.602 3.337 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(N4CCCC4=O)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304469736 1067549041 /nfs/dbraw/zinc/54/90/41/1067549041.db2.gz VWNTVYYOKWWKAL-UHFFFAOYSA-N 1 0 453.635 3.359 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304473388 1067551544 /nfs/dbraw/zinc/55/15/44/1067551544.db2.gz MOKORFPVQZCWTN-FQEVSTJZSA-N 1 0 453.635 3.262 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001302990445 1067551948 /nfs/dbraw/zinc/55/19/48/1067551948.db2.gz FFXXPSCATPLMPE-ACRUOGEOSA-N 1 0 488.702 3.208 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2CC(=O)NC(C)C)n1 ZINC001304474475 1067552215 /nfs/dbraw/zinc/55/22/15/1067552215.db2.gz WXHPKTSNHUAAJV-NRFANRHFSA-N 1 0 453.635 3.266 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304475135 1067553381 /nfs/dbraw/zinc/55/33/81/1067553381.db2.gz ZPVKHKVMUQIVIY-LEWJYISDSA-N 1 0 453.635 3.121 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(=O)N(C)Cc2ccccc2)n1 ZINC001304476611 1067554647 /nfs/dbraw/zinc/55/46/47/1067554647.db2.gz ITEOJIGKRWZLKQ-UHFFFAOYSA-N 1 0 461.614 3.228 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(c4ccc(F)cn4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304476678 1067554863 /nfs/dbraw/zinc/55/48/63/1067554863.db2.gz KACMOELJGIJWDL-UHFFFAOYSA-N 1 0 452.582 3.240 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001304478803 1067557659 /nfs/dbraw/zinc/55/76/59/1067557659.db2.gz LWBNIJFRPKWHKB-IFMALSPDSA-N 1 0 467.662 3.462 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CC[N@H+]2CC=CCC2)n1 ZINC001304479642 1067559078 /nfs/dbraw/zinc/55/90/78/1067559078.db2.gz ZDKRVTHPUOEXFC-UHFFFAOYSA-N 1 0 467.618 3.215 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](Cc4ccccc4C)CC3)n2CCNC(=O)C(C)C)n1 ZINC001304480689 1067560069 /nfs/dbraw/zinc/56/00/69/1067560069.db2.gz RSQWJLSLDJUEEC-UHFFFAOYSA-N 1 0 461.614 3.051 20 0 JGADRO Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC001304484102 1067563304 /nfs/dbraw/zinc/56/33/04/1067563304.db2.gz RLYMWIZOAOLZSE-IBGZPJMESA-N 1 0 452.628 3.347 20 0 JGADRO Cc1cccc(-c2nnc(N3CCSCC3)n2CCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001304484406 1067563660 /nfs/dbraw/zinc/56/36/60/1067563660.db2.gz IKTSBXLBVKXZQY-UHFFFAOYSA-N 1 0 452.628 3.385 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304487754 1067566357 /nfs/dbraw/zinc/56/63/57/1067566357.db2.gz WZXLFQFNOQLVJD-OFVILXPXSA-N 1 0 466.634 3.110 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303016276 1067570369 /nfs/dbraw/zinc/57/03/69/1067570369.db2.gz XCWJFDVZBITGER-OFVILXPXSA-N 1 0 460.667 3.119 20 0 JGADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC(=O)NCC(F)F)CC2)c1 ZINC001304496088 1067572088 /nfs/dbraw/zinc/57/20/88/1067572088.db2.gz OVGXYFQXURPEJZ-UHFFFAOYSA-N 1 0 489.958 3.005 20 0 JGADRO Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001304495764 1067572142 /nfs/dbraw/zinc/57/21/42/1067572142.db2.gz LIWRQOHTTWYPTM-UHFFFAOYSA-N 1 0 450.587 3.305 20 0 JGADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001304496003 1067572171 /nfs/dbraw/zinc/57/21/71/1067572171.db2.gz CBADXKBBEUUBBN-FQEVSTJZSA-N 1 0 481.689 3.475 20 0 JGADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CCCCCS(C)(=O)=O)CC2)c1 ZINC001304499255 1067574128 /nfs/dbraw/zinc/57/41/28/1067574128.db2.gz VNKTVMDRPADLBI-QHCPKHFHSA-N 1 0 489.686 3.365 20 0 JGADRO Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001304499763 1067574633 /nfs/dbraw/zinc/57/46/33/1067574633.db2.gz CCXNTXNWWVOIRX-SZPZYZBQSA-N 1 0 497.688 3.305 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303022891 1067574975 /nfs/dbraw/zinc/57/49/75/1067574975.db2.gz SFXCYQYICMEZIV-ZODMCCGTSA-N 1 0 463.667 3.180 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303023348 1067575868 /nfs/dbraw/zinc/57/58/68/1067575868.db2.gz WCAJNPSIGVEPDG-WIHVIGOGSA-N 1 0 463.667 3.179 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001304504528 1067578562 /nfs/dbraw/zinc/57/85/62/1067578562.db2.gz UVDLKQKEWPODRP-NRFANRHFSA-N 1 0 468.646 3.379 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)c1 ZINC001304506746 1067580279 /nfs/dbraw/zinc/58/02/79/1067580279.db2.gz MNFDXWNUIXDROH-SANMLTNESA-N 1 0 468.646 3.200 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCCS(C)(=O)=O)c1 ZINC001304507766 1067581604 /nfs/dbraw/zinc/58/16/04/1067581604.db2.gz AXRFAIFVEZDWIU-UHFFFAOYSA-N 1 0 475.659 3.055 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001304511051 1067586230 /nfs/dbraw/zinc/58/62/30/1067586230.db2.gz GKQMLGSEKLMLTA-ICSRJNTNSA-N 1 0 468.627 3.197 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2CC(F)(F)F)c1 ZINC001304511599 1067587571 /nfs/dbraw/zinc/58/75/71/1067587571.db2.gz GMAUOYONQHRYOW-UHFFFAOYSA-N 1 0 453.509 3.276 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[NH+]2CCCCC2)c1 ZINC001304511836 1067587930 /nfs/dbraw/zinc/58/79/30/1067587930.db2.gz IABSTBMEAQSADZ-UHFFFAOYSA-N 1 0 466.552 3.336 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCOCC(F)F)c1 ZINC001304512197 1067588526 /nfs/dbraw/zinc/58/85/26/1067588526.db2.gz MSQYDGBCFGTOSJ-IBGZPJMESA-N 1 0 479.572 3.137 20 0 JGADRO CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(C)CCCC[NH+]3CCCCC3)cc(C3CC3)nc21 ZINC001303045674 1067588641 /nfs/dbraw/zinc/58/86/41/1067588641.db2.gz FUQAMJWOAYNMAZ-UHFFFAOYSA-N 1 0 455.603 3.369 20 0 JGADRO NC(=O)[C@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+]2CCCCC2)C1 ZINC001303051392 1067591437 /nfs/dbraw/zinc/59/14/37/1067591437.db2.gz HJSYVIVCUPTZII-INIZCTEOSA-N 1 0 493.425 3.424 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304514615 1067591611 /nfs/dbraw/zinc/59/16/11/1067591611.db2.gz KMQJESPPHSMNSQ-JFYQVNSESA-N 1 0 471.646 3.260 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001304515133 1067592020 /nfs/dbraw/zinc/59/20/20/1067592020.db2.gz OCUWJESBDZVHMJ-OYRHEFFESA-N 1 0 473.687 3.491 20 0 JGADRO Cc1cccc2c1CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC[N@@H+]1CCC[C@H](C)C1)C2 ZINC001304516927 1067592882 /nfs/dbraw/zinc/59/28/82/1067592882.db2.gz RLSIUWGLKVXFEV-FPOVZHCZSA-N 1 0 488.702 3.272 20 0 JGADRO CC(C)CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001303056993 1067595241 /nfs/dbraw/zinc/59/52/41/1067595241.db2.gz AVSZLYZZQBQCIE-LJQANCHMSA-N 1 0 451.681 3.460 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001304519705 1067595305 /nfs/dbraw/zinc/59/53/05/1067595305.db2.gz LLDLEPIBBBQKBK-SXLOBPIMSA-N 1 0 462.664 3.126 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001304524028 1067597867 /nfs/dbraw/zinc/59/78/67/1067597867.db2.gz CUNNOVMYJWNHLF-QHCPKHFHSA-N 1 0 468.646 3.059 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304525562 1067598697 /nfs/dbraw/zinc/59/86/97/1067598697.db2.gz ITNZKKHGWFVJRV-VWLOTQADSA-N 1 0 472.703 3.238 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001304526177 1067598858 /nfs/dbraw/zinc/59/88/58/1067598858.db2.gz SPLKKVHJLKELCU-OAQYLSRUSA-N 1 0 488.702 3.234 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCC[NH+]1CCOCC1 ZINC001304526271 1067598954 /nfs/dbraw/zinc/59/89/54/1067598954.db2.gz PVMAFMCFMNHSEW-UHFFFAOYSA-N 1 0 457.619 3.201 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001304530552 1067602296 /nfs/dbraw/zinc/60/22/96/1067602296.db2.gz AWDQJEGFTWNJJH-UHFFFAOYSA-N 1 0 474.675 3.036 20 0 JGADRO CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001303067936 1067602624 /nfs/dbraw/zinc/60/26/24/1067602624.db2.gz JTANDBWRUBDKCM-UGKGYDQZSA-N 1 0 472.609 3.346 20 0 JGADRO CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001303067932 1067602675 /nfs/dbraw/zinc/60/26/75/1067602675.db2.gz JRUQRFCKMKHLFC-QGZVFWFLSA-N 1 0 465.440 3.251 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001304534300 1067604806 /nfs/dbraw/zinc/60/48/06/1067604806.db2.gz MJDVEGAVTGLKBP-OAQYLSRUSA-N 1 0 488.702 3.141 20 0 JGADRO O=C(Cn1c(-c2ccccc2Br)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)NCC(F)F ZINC001303070929 1067605304 /nfs/dbraw/zinc/60/53/04/1067605304.db2.gz NSORKRWEDSHORE-HNNXBMFYSA-N 1 0 497.388 3.154 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304534880 1067605390 /nfs/dbraw/zinc/60/53/90/1067605390.db2.gz QQJLFABDEXQLHC-FNZWTVRRSA-N 1 0 484.645 3.156 20 0 JGADRO O=C(Cn1c(Cc2cccnc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)NCC(F)(F)F ZINC001303074287 1067608469 /nfs/dbraw/zinc/60/84/69/1067608469.db2.gz RZDUBMSWINLCTL-UHFFFAOYSA-N 1 0 493.578 3.035 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCCCS(C)(=O)=O ZINC001304537184 1067608753 /nfs/dbraw/zinc/60/87/53/1067608753.db2.gz OBAVXCKQZFJRCR-NRFANRHFSA-N 1 0 489.686 3.158 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304539814 1067610889 /nfs/dbraw/zinc/61/08/89/1067610889.db2.gz MVCYYAIYRUIVHJ-NRFANRHFSA-N 1 0 497.688 3.383 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001304541806 1067612079 /nfs/dbraw/zinc/61/20/79/1067612079.db2.gz GBPWLHDPGHGLCW-DEOSSOPVSA-N 1 0 491.684 3.460 20 0 JGADRO Cc1ccccc1[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001304542534 1067613335 /nfs/dbraw/zinc/61/33/35/1067613335.db2.gz PSDHNCNOYFAHOO-NFBKMPQASA-N 1 0 468.646 3.425 20 0 JGADRO O=C(Cn1c(COc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1)NCC(F)(F)F ZINC001303080007 1067613717 /nfs/dbraw/zinc/61/37/17/1067613717.db2.gz TVUWXTNVECOZSJ-UHFFFAOYSA-N 1 0 498.525 3.129 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CC(C)(C)C[NH+]1CCCC1 ZINC001304548209 1067617238 /nfs/dbraw/zinc/61/72/38/1067617238.db2.gz UHSDYCWBNDQRID-FQEVSTJZSA-N 1 0 461.676 3.169 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C(N)=O)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304551968 1067621725 /nfs/dbraw/zinc/62/17/25/1067621725.db2.gz PGQNESKFHPBNIN-SIBVEZHUSA-N 1 0 452.647 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304556181 1067624887 /nfs/dbraw/zinc/62/48/87/1067624887.db2.gz GUBZEXJHJWOTDR-XMMPIXPASA-N 1 0 496.700 3.154 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3cnn(C)c3)CC2)CC1 ZINC001303089739 1067625909 /nfs/dbraw/zinc/62/59/09/1067625909.db2.gz HCZKRXVGBOJRRL-UHFFFAOYSA-N 1 0 484.693 3.292 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001304557669 1067626507 /nfs/dbraw/zinc/62/65/07/1067626507.db2.gz UUBBFSVKLQXGJQ-HSZRJFAPSA-N 1 0 496.700 3.155 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001303091535 1067628535 /nfs/dbraw/zinc/62/85/35/1067628535.db2.gz UZLFBELGSHLUPL-HXUWFJFHSA-N 1 0 486.636 3.421 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001303091671 1067628556 /nfs/dbraw/zinc/62/85/56/1067628556.db2.gz VKFCCACYKMXDOT-PMACEKPBSA-N 1 0 487.661 3.420 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCSC(C)C ZINC001304559895 1067629121 /nfs/dbraw/zinc/62/91/21/1067629121.db2.gz OQUNHVOQUIJKQF-JOCHJYFZSA-N 1 0 470.687 3.062 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001304560335 1067629910 /nfs/dbraw/zinc/62/99/10/1067629910.db2.gz SDLJDZOPVSZOET-UHFFFAOYSA-N 1 0 465.646 3.069 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304560326 1067629920 /nfs/dbraw/zinc/62/99/20/1067629920.db2.gz RTIMRQKNTXERTL-GGAORHGYSA-N 1 0 452.647 3.247 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CC(=O)N(C)C)cc1 ZINC001303094762 1067631407 /nfs/dbraw/zinc/63/14/07/1067631407.db2.gz JDGVSRKAOZILIT-FPOVZHCZSA-N 1 0 454.619 3.131 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN3CCOC[C@@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001304561828 1067631959 /nfs/dbraw/zinc/63/19/59/1067631959.db2.gz QBLFIRLIOXSBNE-DEOSSOPVSA-N 1 0 454.663 3.207 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001303095955 1067632122 /nfs/dbraw/zinc/63/21/22/1067632122.db2.gz QXIDGNIIFQSJDU-QFIPXVFZSA-N 1 0 489.686 3.478 20 0 JGADRO 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CC(C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001303275109 1067802367 /nfs/dbraw/zinc/80/23/67/1067802367.db2.gz SLCPFEOOXBCOQH-IFMALSPDSA-N 1 0 454.619 3.349 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001303275409 1067802725 /nfs/dbraw/zinc/80/27/25/1067802725.db2.gz CBTZJQNCVGLTET-NJDFBWEVSA-N 1 0 490.693 3.330 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001303275594 1067802857 /nfs/dbraw/zinc/80/28/57/1067802857.db2.gz DZOYUKVOPAPYLV-XMMPIXPASA-N 1 0 472.037 3.348 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001303275593 1067802895 /nfs/dbraw/zinc/80/28/95/1067802895.db2.gz DZOYUKVOPAPYLV-DEOSSOPVSA-N 1 0 472.037 3.348 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001303275816 1067803499 /nfs/dbraw/zinc/80/34/99/1067803499.db2.gz HRBOANKIMWYOFU-UHFFFAOYSA-N 1 0 452.582 3.219 20 0 JGADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3C[C@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001304731165 1067803803 /nfs/dbraw/zinc/80/38/03/1067803803.db2.gz CCJMPBFDGLNHCY-VXKWHMMOSA-N 1 0 470.666 3.145 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001303276316 1067803963 /nfs/dbraw/zinc/80/39/63/1067803963.db2.gz FZPCDUUZDIAYMY-QFIPXVFZSA-N 1 0 480.592 3.144 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001303276317 1067804107 /nfs/dbraw/zinc/80/41/07/1067804107.db2.gz GBDKJMIMNGHDQN-UHFFFAOYSA-N 1 0 489.668 3.276 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2Br)C1 ZINC001303277941 1067805123 /nfs/dbraw/zinc/80/51/23/1067805123.db2.gz XCBJFAOZTBXDOY-XLIONFOSSA-N 1 0 478.435 3.463 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001303278216 1067806049 /nfs/dbraw/zinc/80/60/49/1067806049.db2.gz ZDIKKDIDPPDKIL-QFIPXVFZSA-N 1 0 461.054 3.164 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001303278473 1067806329 /nfs/dbraw/zinc/80/63/29/1067806329.db2.gz GGUXMVFBHAODJT-UHFFFAOYSA-N 1 0 472.531 3.411 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001303278823 1067807706 /nfs/dbraw/zinc/80/77/06/1067807706.db2.gz RCXKGSQIBRFNEB-UHFFFAOYSA-N 1 0 463.051 3.375 20 0 JGADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(CCOc4ccccc4)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001304734884 1067809032 /nfs/dbraw/zinc/80/90/32/1067809032.db2.gz DXRFLHJRUBEJQV-QFIPXVFZSA-N 1 0 466.634 3.290 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCC[NH+](C)C)C2)n1 ZINC001304735544 1067809465 /nfs/dbraw/zinc/80/94/65/1067809465.db2.gz UYRQAANFSCACFL-LJQANCHMSA-N 1 0 491.015 3.366 20 0 JGADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001303282041 1067809920 /nfs/dbraw/zinc/80/99/20/1067809920.db2.gz PGKMXCXUNPXLSJ-IEBWSBKVSA-N 1 0 463.623 3.217 20 0 JGADRO CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303287066 1067813116 /nfs/dbraw/zinc/81/31/16/1067813116.db2.gz GNBXSTSYKDMYRU-YADHBBJMSA-N 1 0 472.634 3.470 20 0 JGADRO CC(C)N(Cc1ccco1)c1nnc([C@H]2CCCCO2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303287064 1067813208 /nfs/dbraw/zinc/81/32/08/1067813208.db2.gz GNBXSTSYKDMYRU-FGZHOGPDSA-N 1 0 472.634 3.470 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)C(C)C ZINC001303291386 1067815731 /nfs/dbraw/zinc/81/57/31/1067815731.db2.gz HPQCPOMMIONEPE-ZWKOTPCHSA-N 1 0 474.572 3.286 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccccn2)CC1)C(C)C ZINC001303291713 1067816524 /nfs/dbraw/zinc/81/65/24/1067816524.db2.gz WNCDMOLKLRUPJR-UHFFFAOYSA-N 1 0 478.645 3.150 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCC2=O)CC1)C(C)C ZINC001303292053 1067816963 /nfs/dbraw/zinc/81/69/63/1067816963.db2.gz SKLPIDOHIVPCQZ-NRFANRHFSA-N 1 0 460.667 3.272 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2C[C@](C)(O)C(C)C)n1 ZINC001304741164 1067817241 /nfs/dbraw/zinc/81/72/41/1067817241.db2.gz UISJGLSRBRIBIG-BVAGGSTKSA-N 1 0 465.646 3.257 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1)C(C)C ZINC001303292242 1067817560 /nfs/dbraw/zinc/81/75/60/1067817560.db2.gz AQBVUGSABHYURB-SANMLTNESA-N 1 0 495.603 3.281 20 0 JGADRO CC(C)[NH+](CCCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1)C(C)C ZINC001303292395 1067817967 /nfs/dbraw/zinc/81/79/67/1067817967.db2.gz ZBNBYNRZELRYGX-UHFFFAOYSA-N 1 0 454.619 3.332 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2Cc2ccc(F)cc2)n1 ZINC001304741775 1067818376 /nfs/dbraw/zinc/81/83/76/1067818376.db2.gz WEWYKXGNFJCXIA-UHFFFAOYSA-N 1 0 469.609 3.122 20 0 JGADRO CC(C)[NH+](CCCn1c(CN2CCCC2=O)nnc1N1CCOC[C@H](C2CCC2)C1)C(C)C ZINC001303292570 1067818286 /nfs/dbraw/zinc/81/82/86/1067818286.db2.gz IXVLYAGMKRIARG-JOCHJYFZSA-N 1 0 460.667 3.162 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001304741906 1067818730 /nfs/dbraw/zinc/81/87/30/1067818730.db2.gz XTAZAJCZGALFSE-FQEVSTJZSA-N 1 0 490.578 3.349 20 0 JGADRO CC(C)[NH+](CCCn1c(COc2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C ZINC001303292920 1067818739 /nfs/dbraw/zinc/81/87/39/1067818739.db2.gz VJKMSLBAUPWIQX-RTWAWAEBSA-N 1 0 486.636 3.468 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC001303295348 1067819155 /nfs/dbraw/zinc/81/91/55/1067819155.db2.gz BXDXAQDKKQZUOW-UHFFFAOYSA-N 1 0 470.643 3.499 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001304742899 1067819954 /nfs/dbraw/zinc/81/99/54/1067819954.db2.gz WUZQMTNTDMCOBO-RTBURBONSA-N 1 0 472.663 3.040 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4ccccc4)n3CC[S@](=O)C(C)(C)C)CC2)CC1 ZINC001303296637 1067820408 /nfs/dbraw/zinc/82/04/08/1067820408.db2.gz CIUPGKUQCCWUSW-UMSFTDKQSA-N 1 0 486.730 3.487 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)C(C)C ZINC001303296715 1067820591 /nfs/dbraw/zinc/82/05/91/1067820591.db2.gz UADHEWWVQDPZHL-WOJBJXKFSA-N 1 0 463.026 3.497 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001303296835 1067820608 /nfs/dbraw/zinc/82/06/08/1067820608.db2.gz LMKNEGSXMGJOBO-HXUWFJFHSA-N 1 0 468.067 3.264 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001303296997 1067820830 /nfs/dbraw/zinc/82/08/30/1067820830.db2.gz FKKOJVFPPBEYBD-KRWDZBQOSA-N 1 0 478.435 3.168 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001304743664 1067821267 /nfs/dbraw/zinc/82/12/67/1067821267.db2.gz VWVLSILEYLZBBD-HXUWFJFHSA-N 1 0 482.036 3.466 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C4CCC4)n3CCCN(C)CC(F)(F)F)CC2)CC1 ZINC001303297707 1067821617 /nfs/dbraw/zinc/82/16/17/1067821617.db2.gz KRSZXKYYFNCSHO-UHFFFAOYSA-N 1 0 485.643 3.425 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1)C(C)C ZINC001303297856 1067822197 /nfs/dbraw/zinc/82/21/97/1067822197.db2.gz GBRDPFACSQRFGV-UHFFFAOYSA-N 1 0 494.619 3.346 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)C(C)C ZINC001303298053 1067822302 /nfs/dbraw/zinc/82/23/02/1067822302.db2.gz HCAXKAQJZWJIQS-GOSISDBHSA-N 1 0 496.582 3.405 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001303298213 1067822622 /nfs/dbraw/zinc/82/26/22/1067822622.db2.gz JKRNITADTNXDJO-NHCUHLMSSA-N 1 0 462.683 3.280 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001303298346 1067823070 /nfs/dbraw/zinc/82/30/70/1067823070.db2.gz QULIKSHMKJWNJD-QGZVFWFLSA-N 1 0 465.545 3.007 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(CC4CCCC4)n3CCOCC(F)F)CC2)CC1 ZINC001303298350 1067823089 /nfs/dbraw/zinc/82/30/89/1067823089.db2.gz RCKRRPUMIHPREM-UHFFFAOYSA-N 1 0 468.637 3.287 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001304744744 1067823250 /nfs/dbraw/zinc/82/32/50/1067823250.db2.gz BLMGYTBSOMYSPA-QFIPXVFZSA-N 1 0 459.689 3.317 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1)C(C)C ZINC001303298756 1067823452 /nfs/dbraw/zinc/82/34/52/1067823452.db2.gz VMRSDRSTMIBRLP-HSZRJFAPSA-N 1 0 486.636 3.279 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001304744888 1067823496 /nfs/dbraw/zinc/82/34/96/1067823496.db2.gz CAMXKCYZGCNWQL-FGZHOGPDSA-N 1 0 455.582 3.197 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001303299663 1067823988 /nfs/dbraw/zinc/82/39/88/1067823988.db2.gz WZHGELLFBWXGRE-VQTJNVASSA-N 1 0 464.655 3.394 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C[C@H]3CCCO3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304745181 1067823992 /nfs/dbraw/zinc/82/39/92/1067823992.db2.gz GQVSLQIREHEABX-VQTJNVASSA-N 1 0 457.648 3.337 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C[C@@H]3CCCO3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304745179 1067824214 /nfs/dbraw/zinc/82/42/14/1067824214.db2.gz GQVSLQIREHEABX-PMACEKPBSA-N 1 0 457.648 3.337 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001304745760 1067825256 /nfs/dbraw/zinc/82/52/56/1067825256.db2.gz VJEPMCSMJCXUHT-IBGZPJMESA-N 1 0 455.582 3.278 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001303301630 1067825560 /nfs/dbraw/zinc/82/55/60/1067825560.db2.gz LSBPIIUKWNZKKR-INIZCTEOSA-N 1 0 451.040 3.171 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001303301481 1067825687 /nfs/dbraw/zinc/82/56/87/1067825687.db2.gz IKGPUOZOAXVIDH-KRWDZBQOSA-N 1 0 466.001 3.446 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001303302126 1067826591 /nfs/dbraw/zinc/82/65/91/1067826591.db2.gz CFXNGCAXIDUVOG-RDJZCZTQSA-N 1 0 451.413 3.381 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N(C)Cc3cn(C)nc3C(F)(F)F)nnc2C(C)(C)C)CC1 ZINC001303302150 1067826826 /nfs/dbraw/zinc/82/68/26/1067826826.db2.gz DDZRMZCAYVGSLF-UHFFFAOYSA-N 1 0 471.572 3.200 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304747725 1067827096 /nfs/dbraw/zinc/82/70/96/1067827096.db2.gz FGUMQAAZUDDPPM-PMACEKPBSA-N 1 0 488.681 3.219 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304747726 1067827125 /nfs/dbraw/zinc/82/71/25/1067827125.db2.gz FGUMQAAZUDDPPM-UXHICEINSA-N 1 0 488.681 3.219 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CCOCC[NH+](C)C)n1 ZINC001304747693 1067827169 /nfs/dbraw/zinc/82/71/69/1067827169.db2.gz DLTJBNNCOSTRLT-UHFFFAOYSA-N 1 0 497.488 3.039 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001304748239 1067827518 /nfs/dbraw/zinc/82/75/18/1067827518.db2.gz IDDGIJVSBFXFMN-JOCHJYFZSA-N 1 0 498.720 3.487 20 0 JGADRO 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20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001304923861 1067965844 /nfs/dbraw/zinc/96/58/44/1067965844.db2.gz GJVXDKVZJYMLEI-IAGOWNOFSA-N 1 0 479.551 3.451 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccc(Br)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001304923882 1067965852 /nfs/dbraw/zinc/96/58/52/1067965852.db2.gz GOIWNRUJOMQIBH-QZTJIDSGSA-N 1 0 489.462 3.402 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(C3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001304924065 1067966335 /nfs/dbraw/zinc/96/63/35/1067966335.db2.gz HFWYBHNQQNVODE-SBHAEUEKSA-N 1 0 476.666 3.253 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(Cc3ccncc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304924549 1067967340 /nfs/dbraw/zinc/96/73/40/1067967340.db2.gz IGHJAYCIPFWBDX-SFTDATJTSA-N 1 0 467.662 3.114 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001304924505 1067967408 /nfs/dbraw/zinc/96/74/08/1067967408.db2.gz HYRKPMWVRYPAGW-NJDAHSKKSA-N 1 0 486.636 3.421 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304924794 1067967726 /nfs/dbraw/zinc/96/77/26/1067967726.db2.gz AEPALCWVNVIILB-PLACYPQZSA-N 1 0 483.723 3.046 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304924809 1067967740 /nfs/dbraw/zinc/96/77/40/1067967740.db2.gz AEPALCWVNVIILB-UWHLTILDSA-N 1 0 483.723 3.046 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(C3CCCC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304924763 1067967753 /nfs/dbraw/zinc/96/77/53/1067967753.db2.gz JPAONWIEANJFQV-SVFBPWRDSA-N 1 0 451.681 3.317 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001303447017 1067967799 /nfs/dbraw/zinc/96/77/99/1067967799.db2.gz BPURUIANGRZCPA-HXUWFJFHSA-N 1 0 455.651 3.289 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001303447325 1067967839 /nfs/dbraw/zinc/96/78/39/1067967839.db2.gz DQIRLTNPJXOLRM-UHFFFAOYSA-N 1 0 493.425 3.436 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304925193 1067968587 /nfs/dbraw/zinc/96/85/87/1067968587.db2.gz LGOLRTJTQMINEK-TZRRMPRUSA-N 1 0 490.737 3.477 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001303448530 1067969860 /nfs/dbraw/zinc/96/98/60/1067969860.db2.gz UKRDZSDYUOPTHL-HXUWFJFHSA-N 1 0 482.673 3.457 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304926493 1067969995 /nfs/dbraw/zinc/96/99/95/1067969995.db2.gz RKEJYWMOXICEAK-ULQDDVLXSA-N 1 0 492.466 3.105 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304927044 1067970432 /nfs/dbraw/zinc/97/04/32/1067970432.db2.gz PHUIAXXPJYOUTO-OYRHEFFESA-N 1 0 495.672 3.008 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccn3C)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304926595 1067970647 /nfs/dbraw/zinc/97/06/47/1067970647.db2.gz QIKWVIFLWUGSMB-BGYRXZFFSA-N 1 0 455.651 3.134 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001304926553 1067970685 /nfs/dbraw/zinc/97/06/85/1067970685.db2.gz SELOZEVHKXTJIS-NJYVYQBISA-N 1 0 489.686 3.189 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cnccn2)C1 ZINC001304926754 1067971194 /nfs/dbraw/zinc/97/11/94/1067971194.db2.gz HEBDSHCYNHUIGP-RTBURBONSA-N 1 0 482.658 3.064 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304926729 1067971218 /nfs/dbraw/zinc/97/12/18/1067971218.db2.gz SZZQUFDTKIEHDW-ROUUACIJSA-N 1 0 474.053 3.395 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304926872 1067971734 /nfs/dbraw/zinc/97/17/34/1067971734.db2.gz RSKRSKZFCGPMRS-ZVDOUQERSA-N 1 0 479.716 3.312 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001304927132 1067972415 /nfs/dbraw/zinc/97/24/15/1067972415.db2.gz IUSVBBNMLPCCFA-QHAWAJNXSA-N 1 0 488.702 3.499 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccnc3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927228 1067973023 /nfs/dbraw/zinc/97/30/23/1067973023.db2.gz VVHUNTAQEVDPJT-ODAXIHTASA-N 1 0 469.678 3.254 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304928003 1067974662 /nfs/dbraw/zinc/97/46/62/1067974662.db2.gz LHRUGRJFBDNOEZ-SFTDATJTSA-N 1 0 475.641 3.367 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001304928310 1067976094 /nfs/dbraw/zinc/97/60/94/1067976094.db2.gz ZOBFNGMNVKVVAB-NJYVYQBISA-N 1 0 470.637 3.433 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)nnc2C(C)(C)C)C1 ZINC001304929489 1067977936 /nfs/dbraw/zinc/97/79/36/1067977936.db2.gz WRAVSTUNNZYKPS-NJDAHSKKSA-N 1 0 482.739 3.051 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC001303462387 1067981385 /nfs/dbraw/zinc/98/13/85/1067981385.db2.gz AZTOTJMJBOYWGE-UHFFFAOYSA-N 1 0 456.635 3.058 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001303462750 1067982260 /nfs/dbraw/zinc/98/22/60/1067982260.db2.gz JHNCAYNUMAYBHF-NZQKXSOJSA-N 1 0 489.686 3.377 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001303463527 1067982659 /nfs/dbraw/zinc/98/26/59/1067982659.db2.gz UXBNJKCNNSQPIZ-ICSRJNTNSA-N 1 0 493.649 3.491 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001303463651 1067983015 /nfs/dbraw/zinc/98/30/15/1067983015.db2.gz WNJRQVZOHIKCFD-QFIPXVFZSA-N 1 0 475.435 3.153 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001303464958 1067983822 /nfs/dbraw/zinc/98/38/22/1067983822.db2.gz JLNADHBFSHYNKU-HSZRJFAPSA-N 1 0 455.994 3.263 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCOCC(F)F)CC1 ZINC001303464763 1067983838 /nfs/dbraw/zinc/98/38/38/1067983838.db2.gz LSSFVHXSCWSFRY-UHFFFAOYSA-N 1 0 465.545 3.355 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001303465415 1067984344 /nfs/dbraw/zinc/98/43/44/1067984344.db2.gz PNHXDAFNXQATEQ-UHFFFAOYSA-N 1 0 478.523 3.030 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001303465389 1067984418 /nfs/dbraw/zinc/98/44/18/1067984418.db2.gz OZCJXWUWOZVFOJ-QFIPXVFZSA-N 1 0 475.659 3.102 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001303465183 1067984429 /nfs/dbraw/zinc/98/44/29/1067984429.db2.gz MTCDSYMYDFUXFW-JOCHJYFZSA-N 1 0 454.619 3.145 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001303466058 1067985264 /nfs/dbraw/zinc/98/52/64/1067985264.db2.gz OLAFKRPAAGVHQV-UHFFFAOYSA-N 1 0 461.676 3.480 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)c2cccs2)CC1 ZINC001303466978 1067985578 /nfs/dbraw/zinc/98/55/78/1067985578.db2.gz WOULDOYHMSXZQC-UHFFFAOYSA-N 1 0 470.618 3.466 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncccc2N(C)C)CC1 ZINC001303466965 1067985687 /nfs/dbraw/zinc/98/56/87/1067985687.db2.gz WLMCLPFZSHTWCA-UHFFFAOYSA-N 1 0 463.630 3.376 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(Cl)s2)CC1 ZINC001303467272 1067986002 /nfs/dbraw/zinc/98/60/02/1067986002.db2.gz ZLQXJTRAJRJPCN-UHFFFAOYSA-N 1 0 451.040 3.325 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001303467230 1067986102 /nfs/dbraw/zinc/98/61/02/1067986102.db2.gz YWBYPCKMNPXNQB-UHFFFAOYSA-N 1 0 471.556 3.318 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001303467019 1067986133 /nfs/dbraw/zinc/98/61/33/1067986133.db2.gz XARHJGFVRKCIAT-UHFFFAOYSA-N 1 0 451.594 3.484 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001303467607 1067986504 /nfs/dbraw/zinc/98/65/04/1067986504.db2.gz BZPPVJRGJHEIJM-HXOBKFHXSA-N 1 0 464.010 3.017 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCSC2)CC1 ZINC001303467686 1067986546 /nfs/dbraw/zinc/98/65/46/1067986546.db2.gz FCNKJPTYUPEAQR-QGZVFWFLSA-N 1 0 462.689 3.380 20 0 JGADRO C[C@@H]1C[C@@H](N(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304947060 1067998701 /nfs/dbraw/zinc/99/87/01/1067998701.db2.gz FJMFWNDAHZHOJJ-IRLDBZIGSA-N 1 0 490.718 3.247 20 0 JGADRO C[C@@H]1C[C@@H](N(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001304947835 1067999117 /nfs/dbraw/zinc/99/91/17/1067999117.db2.gz HHYHTMHYNMBXSA-YZGWKJHDSA-N 1 0 494.562 3.297 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001304957282 1068003383 /nfs/dbraw/zinc/00/33/83/1068003383.db2.gz DIXVSTISKULZCQ-VAMGGRTRSA-N 1 0 488.702 3.350 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)CC3CCCCC3)n2CC2([NH+](C)C)CCOCC2)CCOC1 ZINC001303483651 1068006664 /nfs/dbraw/zinc/00/66/64/1068006664.db2.gz LEQLSEGFYINMET-RUZDIDTESA-N 1 0 463.667 3.446 20 0 JGADRO 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/nfs/dbraw/zinc/18/07/89/1068180789.db2.gz VRKJCYXAGIQGEI-NRFANRHFSA-N 1 0 460.667 3.278 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001303651884 1068181683 /nfs/dbraw/zinc/18/16/83/1068181683.db2.gz DWXCWORLGYWXDM-WIYYLYMNSA-N 1 0 452.628 3.468 20 0 JGADRO CC1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001305111174 1068182306 /nfs/dbraw/zinc/18/23/06/1068182306.db2.gz XQWCRISWOONWSV-UHFFFAOYSA-N 1 0 496.500 3.454 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3cccnc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001305110867 1068182345 /nfs/dbraw/zinc/18/23/45/1068182345.db2.gz RGTIUHYZVTZTTF-UHFFFAOYSA-N 1 0 483.558 3.018 20 0 JGADRO CC1CC[NH+](CCn2c(N3CCC(C(=O)Nc4nncs4)CC3)nnc2C(C)(C)C)CC1 ZINC001305111103 1068182383 /nfs/dbraw/zinc/18/23/83/1068182383.db2.gz WNIQKEUBBZOSFM-UHFFFAOYSA-N 1 0 460.652 3.014 20 0 JGADRO CC(C)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001305110972 1068182401 /nfs/dbraw/zinc/18/24/01/1068182401.db2.gz VJJHOCKZSLFFHB-UHFFFAOYSA-N 1 0 474.600 3.184 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001305111706 1068184080 /nfs/dbraw/zinc/18/40/80/1068184080.db2.gz FPWYGLXIIPSLNS-FUPPJEDESA-N 1 0 482.673 3.043 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N(C)Cc3ccc(C(N)=O)cc3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305111724 1068184106 /nfs/dbraw/zinc/18/41/06/1068184106.db2.gz FVHJMXVKITXOQU-QZTJIDSGSA-N 1 0 456.635 3.199 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC(CCCO)CC2)C[C@H](C)O1 ZINC001305111824 1068184821 /nfs/dbraw/zinc/18/48/21/1068184821.db2.gz DBCWBKGZRABLSG-PMACEKPBSA-N 1 0 456.635 3.217 20 0 JGADRO CC(C)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305112018 1068184850 /nfs/dbraw/zinc/18/48/50/1068184850.db2.gz DKTJEYVMLWJUEH-WOJBJXKFSA-N 1 0 456.635 3.322 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3C[C@H](C)O[C@@]4(CCCOC4)C3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305112163 1068185372 /nfs/dbraw/zinc/18/53/72/1068185372.db2.gz JNUQXYBRYJQCTL-PUFAWVJESA-N 1 0 463.667 3.238 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303654394 1068186041 /nfs/dbraw/zinc/18/60/41/1068186041.db2.gz VOJQXPHVYVKCHM-QVKFZJNVSA-N 1 0 483.107 3.361 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305112744 1068187989 /nfs/dbraw/zinc/18/79/89/1068187989.db2.gz JJSBFLFGHQVZIS-KURKYZTESA-N 1 0 460.589 3.362 20 0 JGADRO CC(C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305113178 1068189540 /nfs/dbraw/zinc/18/95/40/1068189540.db2.gz MWALEUIWDSTKDA-WOJBJXKFSA-N 1 0 460.667 3.271 20 0 JGADRO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305113497 1068189989 /nfs/dbraw/zinc/18/99/89/1068189989.db2.gz PBNGWAQRSGFSFW-KDURUIRLSA-N 1 0 477.675 3.329 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(CCO)Cc2ccccc2)C[C@H](C)O1 ZINC001305113664 1068190621 /nfs/dbraw/zinc/19/06/21/1068190621.db2.gz VJOXOKLWHMWDLB-VXKWHMMOSA-N 1 0 478.641 3.151 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(C3CCC3)nnc2N(CCO)CCc2ccccc2)C[C@H](C)O1 ZINC001305114120 1068191126 /nfs/dbraw/zinc/19/11/26/1068191126.db2.gz XUEWKFNLZJRTTD-SFTDATJTSA-N 1 0 455.647 3.475 20 0 JGADRO C[C@@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+]1CCCCC1 ZINC001303661745 1068192863 /nfs/dbraw/zinc/19/28/63/1068192863.db2.gz AJBYUNMMSALEHR-LQWHRVPQSA-N 1 0 463.623 3.407 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CCc2nccs2)C[C@H](C)O1 ZINC001305114990 1068193343 /nfs/dbraw/zinc/19/33/43/1068193343.db2.gz VTORZMAURKMGAA-HDICACEKSA-N 1 0 455.632 3.363 20 0 JGADRO C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[N@H+](C)Cc1ccccc1 ZINC001303662079 1068193389 /nfs/dbraw/zinc/19/33/89/1068193389.db2.gz CJTNQPJUSQCGTG-URVUXULASA-N 1 0 477.613 3.043 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305115289 1068194110 /nfs/dbraw/zinc/19/41/10/1068194110.db2.gz KEQLHUMQLMXPFH-QFBILLFUSA-N 1 0 460.026 3.171 20 0 JGADRO C[C@H](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC(N)=O)[NH+]1CCCCC1 ZINC001303663157 1068194354 /nfs/dbraw/zinc/19/43/54/1068194354.db2.gz LFFGKGZPENRQGZ-MOPGFXCFSA-N 1 0 464.618 3.300 20 0 JGADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCCCCC1 ZINC001303663928 1068196073 /nfs/dbraw/zinc/19/60/73/1068196073.db2.gz QEJQSXBFQFNOQQ-UGKGYDQZSA-N 1 0 454.619 3.268 20 0 JGADRO C[C@@H](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCCC1 ZINC001303664137 1068196176 /nfs/dbraw/zinc/19/61/76/1068196176.db2.gz IWPCUCRCNOGHCG-IBGZPJMESA-N 1 0 472.659 3.182 20 0 JGADRO C[C@H](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCCCC1 ZINC001303664248 1068196765 /nfs/dbraw/zinc/19/67/65/1068196765.db2.gz SXTSGGGLTLADGS-MSOLQXFVSA-N 1 0 476.572 3.478 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303665798 1068199287 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/nfs/dbraw/zinc/20/48/26/1068204826.db2.gz YMIORJSRZWHIJJ-XDHUDOTRSA-N 1 0 460.573 3.113 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001305123114 1068207263 /nfs/dbraw/zinc/20/72/63/1068207263.db2.gz DORMJZDLZRBWPW-IBGZPJMESA-N 1 0 468.646 3.003 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001303672259 1068207466 /nfs/dbraw/zinc/20/74/66/1068207466.db2.gz PKGDRNNFQGWXBR-WOJBJXKFSA-N 1 0 464.655 3.206 20 0 JGADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001305124412 1068210455 /nfs/dbraw/zinc/21/04/55/1068210455.db2.gz ZKKZYRAAQOVLRT-PMACEKPBSA-N 1 0 463.586 3.061 20 0 JGADRO CC(C)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001305127710 1068214076 /nfs/dbraw/zinc/21/40/76/1068214076.db2.gz BQZGQTBIBCTJBW-NLFFAJNJSA-N 1 0 457.619 3.165 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCC2)CCS1 ZINC001305131088 1068215984 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/nfs/dbraw/zinc/22/25/02/1068222502.db2.gz MZGRZVJCIAURTA-LJQANCHMSA-N 1 0 454.619 3.238 20 0 JGADRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCOC1)[N@H+](C)C1CC1 ZINC001303686618 1068224770 /nfs/dbraw/zinc/22/47/70/1068224770.db2.gz HHUINPNTTAWUDL-PKOBYXMFSA-N 1 0 475.037 3.207 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@@H](C)C1 ZINC001305136716 1068226416 /nfs/dbraw/zinc/22/64/16/1068226416.db2.gz XIVZJGVXSFSMAQ-HOTGVXAUSA-N 1 0 451.413 3.146 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCOCC[NH+](C)C)CCS1 ZINC001305137159 1068227772 /nfs/dbraw/zinc/22/77/72/1068227772.db2.gz MUWPDBQGFXIUMM-AWEZNQCLSA-N 1 0 472.428 3.367 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001305137329 1068228351 /nfs/dbraw/zinc/22/83/51/1068228351.db2.gz LTGHQEQFWLHKFJ-YDIMBITNSA-N 1 0 461.582 3.282 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](CC(N)=O)C1)[N@H+](C)C1CC1 ZINC001303691424 1068231399 /nfs/dbraw/zinc/23/13/99/1068231399.db2.gz DSZYENMBZINTRO-JKSUJKDBSA-N 1 0 475.435 3.282 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001303691299 1068231444 /nfs/dbraw/zinc/23/14/44/1068231444.db2.gz CRSGZPYIOFHBCA-MRXNPFEDSA-N 1 0 475.439 3.109 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305138804 1068231921 /nfs/dbraw/zinc/23/19/21/1068231921.db2.gz OXKCTKXPSXGYQA-RTBURBONSA-N 1 0 475.609 3.408 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(C1)CCCOC2)[NH+](C)C ZINC001303691759 1068232275 /nfs/dbraw/zinc/23/22/75/1068232275.db2.gz IUMJMROCTZQZGC-YWZLYKJASA-N 1 0 451.413 3.003 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CCS1 ZINC001305139034 1068232254 /nfs/dbraw/zinc/23/22/54/1068232254.db2.gz RWKKFRIXKLFTAU-FZKQIMNGSA-N 1 0 471.494 3.415 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001303692328 1068234112 /nfs/dbraw/zinc/23/41/12/1068234112.db2.gz VKBUFOORADJXGI-XFQAVAEZSA-N 1 0 464.408 3.042 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)[NH+](C)C ZINC001303692362 1068234125 /nfs/dbraw/zinc/23/41/25/1068234125.db2.gz VSUQBUZMZYJFOB-CXAGYDPISA-N 1 0 461.412 3.233 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3sc4ccccc4c3Cl)n2CCOCC[NH+](C)C)CC(=O)N1C ZINC001305140804 1068235100 /nfs/dbraw/zinc/23/51/00/1068235100.db2.gz XYSJVFNPCFGFEO-OAHLLOKOSA-N 1 0 477.034 3.058 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[NH+](C)C ZINC001303695202 1068237735 /nfs/dbraw/zinc/23/77/35/1068237735.db2.gz SETIRQTUAQTZFF-INIZCTEOSA-N 1 0 488.423 3.446 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001303695693 1068239116 /nfs/dbraw/zinc/23/91/16/1068239116.db2.gz VQHITDUEVRAKOU-SJORKVTESA-N 1 0 462.042 3.322 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+](C)C ZINC001303696081 1068239659 /nfs/dbraw/zinc/23/96/59/1068239659.db2.gz YVNKYOYKFSNKLT-SFHVURJKSA-N 1 0 476.691 3.053 20 0 JGADRO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCCCCC1)[N@H+](C)C1CC1 ZINC001303697615 1068240857 /nfs/dbraw/zinc/24/08/57/1068240857.db2.gz YTLHEEKPGFQDRX-LJQANCHMSA-N 1 0 474.675 3.449 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303700327 1068243198 /nfs/dbraw/zinc/24/31/98/1068243198.db2.gz DIYVCHRLLOWJCH-ROUUACIJSA-N 1 0 455.607 3.174 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001303700879 1068244536 /nfs/dbraw/zinc/24/45/36/1068244536.db2.gz UCQILKFUIVYXBO-HNNXBMFYSA-N 1 0 452.024 3.095 20 0 JGADRO C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303706710 1068251827 /nfs/dbraw/zinc/25/18/27/1068251827.db2.gz DVMFHYZXFPNQAJ-QUCCMNQESA-N 1 0 480.617 3.184 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(Cl)cc2)CC1 ZINC001303712023 1068257405 /nfs/dbraw/zinc/25/74/05/1068257405.db2.gz HPCABDZSQAXHDL-XLIONFOSSA-N 1 0 461.010 3.271 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001305151440 1068257334 /nfs/dbraw/zinc/25/73/34/1068257334.db2.gz WZQIUQMVLJEDNX-OFNKIYASSA-N 1 0 482.673 3.146 20 0 JGADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1[C@H]1CCCO1)[NH+](C)C ZINC001303715728 1068262341 /nfs/dbraw/zinc/26/23/41/1068262341.db2.gz DXQRMUIHFPLJBK-HLAWJBBLSA-N 1 0 476.666 3.491 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303716212 1068263078 /nfs/dbraw/zinc/26/30/78/1068263078.db2.gz DPKJACBRQULFPA-OALUTQOASA-N 1 0 476.666 3.491 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303716654 1068264573 /nfs/dbraw/zinc/26/45/73/1068264573.db2.gz GKZQJOJJUGGYBK-MJGOQNOKSA-N 1 0 450.628 3.211 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCSCC2)CCN1CC(F)(F)F ZINC001305156631 1068264650 /nfs/dbraw/zinc/26/46/50/1068264650.db2.gz WVWISHOTZFSKJE-QGZVFWFLSA-N 1 0 454.566 3.067 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305157029 1068265296 /nfs/dbraw/zinc/26/52/96/1068265296.db2.gz YDOGRQMZRJXTOC-DRSNIGMVSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+](C)C ZINC001303717384 1068265622 /nfs/dbraw/zinc/26/56/22/1068265622.db2.gz KUJOLWPYRKIHGO-NQIIRXRSSA-N 1 0 499.660 3.078 20 0 JGADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](Oc2ccccn2)C1)[NH+](C)C ZINC001303718104 1068266427 /nfs/dbraw/zinc/26/64/27/1068266427.db2.gz RDLUZZDJTYZUGW-TZIWHRDSSA-N 1 0 499.660 3.395 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC001305158026 1068266900 /nfs/dbraw/zinc/26/69/00/1068266900.db2.gz PFOLTJUQEKJDRV-IBGZPJMESA-N 1 0 452.628 3.465 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001305158955 1068267609 /nfs/dbraw/zinc/26/76/09/1068267609.db2.gz RASMADLJJHYIOA-LJQANCHMSA-N 1 0 457.623 3.215 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1nccs1)[NH+](C)C ZINC001303719129 1068267962 /nfs/dbraw/zinc/26/79/62/1068267962.db2.gz SHTHTGHTAMLCDQ-IRXDYDNUSA-N 1 0 463.652 3.436 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCC(F)(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC001303719603 1068268507 /nfs/dbraw/zinc/26/85/07/1068268507.db2.gz YOOPALHIVNHJEV-OALUTQOASA-N 1 0 466.552 3.381 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)C(C)C ZINC001305161018 1068269353 /nfs/dbraw/zinc/26/93/53/1068269353.db2.gz LFPVVTQNOAAREB-SFHVURJKSA-N 1 0 455.573 3.475 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305162853 1068270937 /nfs/dbraw/zinc/27/09/37/1068270937.db2.gz MOMPTIXDXWVUON-GCJKJVERSA-N 1 0 494.644 3.138 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC001303721828 1068271056 /nfs/dbraw/zinc/27/10/56/1068271056.db2.gz IEPYOLJLCDYVQT-FPOVZHCZSA-N 1 0 459.660 3.295 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001305164343 1068273520 /nfs/dbraw/zinc/27/35/20/1068273520.db2.gz LMFSPCPFUKGGAG-LZQZEXGQSA-N 1 0 467.540 3.402 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001305164339 1068273634 /nfs/dbraw/zinc/27/36/34/1068273634.db2.gz LMFSPCPFUKGGAG-ATZDWAIDSA-N 1 0 467.540 3.402 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCCCC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305164385 1068274126 /nfs/dbraw/zinc/27/41/26/1068274126.db2.gz GODUUEUREYABIY-PZJWPPBQSA-N 1 0 484.649 3.351 20 0 JGADRO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001303724080 1068274860 /nfs/dbraw/zinc/27/48/60/1068274860.db2.gz WQISOVVXUJNJII-UNMCSNQZSA-N 1 0 489.686 3.204 20 0 JGADRO CC(C)n1nc(-c2nnc(N3CCCO[C@@H](C)C3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001305164736 1068274819 /nfs/dbraw/zinc/27/48/19/1068274819.db2.gz JPLHKFIZKLHJCS-IBGZPJMESA-N 1 0 467.618 3.191 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)C(C)C ZINC001305166243 1068277241 /nfs/dbraw/zinc/27/72/41/1068277241.db2.gz XXZLDELRCYHNOP-AEFFLSMTSA-N 1 0 457.545 3.344 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001305166533 1068277257 /nfs/dbraw/zinc/27/72/57/1068277257.db2.gz WVOGYYWILNZEGY-IBGZPJMESA-N 1 0 484.649 3.445 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC(C)(C)C1 ZINC001305167726 1068278905 /nfs/dbraw/zinc/27/89/05/1068278905.db2.gz BFQALZJEXAYKAX-SIKLNZKXSA-N 1 0 468.646 3.285 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001303726786 1068279766 /nfs/dbraw/zinc/27/97/66/1068279766.db2.gz AFKWJRJRVFJJMO-IBGZPJMESA-N 1 0 482.032 3.220 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001303726787 1068279968 /nfs/dbraw/zinc/27/99/68/1068279968.db2.gz AFKWJRJRVFJJMO-LJQANCHMSA-N 1 0 482.032 3.220 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303728245 1068282242 /nfs/dbraw/zinc/28/22/42/1068282242.db2.gz KRPWVBUEFYOANQ-UXHICEINSA-N 1 0 483.661 3.440 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001303728787 1068283255 /nfs/dbraw/zinc/28/32/55/1068283255.db2.gz QCOTZOOMWOWTPF-HOYKHHGWSA-N 1 0 455.006 3.051 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CCCC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001305171538 1068284021 /nfs/dbraw/zinc/28/40/21/1068284021.db2.gz SEXUMERIFVOUNT-CTNGQTDRSA-N 1 0 476.666 3.228 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1)[NH+](C)C ZINC001303728898 1068284203 /nfs/dbraw/zinc/28/42/03/1068284203.db2.gz WNYDARLABZIMLA-MOPGFXCFSA-N 1 0 463.586 3.368 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303729571 1068284887 /nfs/dbraw/zinc/28/48/87/1068284887.db2.gz VSTRFFKJHRFPBN-JOCHJYFZSA-N 1 0 489.668 3.479 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1)C(C)C ZINC001305175000 1068287426 /nfs/dbraw/zinc/28/74/26/1068287426.db2.gz LCBOWHOJVVWGRD-FCEUIQTBSA-N 1 0 454.619 3.314 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1)[NH+](C)C ZINC001303731759 1068287478 /nfs/dbraw/zinc/28/74/78/1068287478.db2.gz PMHRCVZDFZFVPF-UTKZUKDTSA-N 1 0 472.540 3.393 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305176367 1068289348 /nfs/dbraw/zinc/28/93/48/1068289348.db2.gz AGNIUNXSOJUQMP-RBUKOAKNSA-N 1 0 464.655 3.206 20 0 JGADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303734518 1068290722 /nfs/dbraw/zinc/29/07/22/1068290722.db2.gz KJMIZKSWTZILRE-VQTJNVASSA-N 1 0 472.634 3.343 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC001305177535 1068291659 /nfs/dbraw/zinc/29/16/59/1068291659.db2.gz WZQACTVJYJFCMY-OALUTQOASA-N 1 0 462.639 3.102 20 0 JGADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccc2cnccc2c1)[NH+](C)C ZINC001303735213 1068292281 /nfs/dbraw/zinc/29/22/81/1068292281.db2.gz BTSXFQDUPCCJAA-KRWDZBQOSA-N 1 0 463.611 3.404 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001305178779 1068293675 /nfs/dbraw/zinc/29/36/75/1068293675.db2.gz LQZSJRQPDJNYNZ-PMACEKPBSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCCc1ccccn1)[NH+](C)C ZINC001303736968 1068295202 /nfs/dbraw/zinc/29/52/02/1068295202.db2.gz CISGFLNEFAWAQV-SBHAEUEKSA-N 1 0 471.650 3.463 20 0 JGADRO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)C1CC1 ZINC001303737107 1068295979 /nfs/dbraw/zinc/29/59/79/1068295979.db2.gz NGRCRVYWUKZDKW-YJBOKZPZSA-N 1 0 484.091 3.330 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303738980 1068298652 /nfs/dbraw/zinc/29/86/52/1068298652.db2.gz WMFYNHOEUJQGIG-GHTZIAJQSA-N 1 0 477.675 3.118 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)CCS1 ZINC001305182150 1068299129 /nfs/dbraw/zinc/29/91/29/1068299129.db2.gz YANQTJIWPTWSER-OALUTQOASA-N 1 0 464.680 3.430 20 0 JGADRO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303739119 1068299415 /nfs/dbraw/zinc/29/94/15/1068299415.db2.gz XNDYILUIBAUHRJ-SFHVURJKSA-N 1 0 487.624 3.109 20 0 JGADRO C[C@@H](Cn1c(N2CCC[C@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001303739211 1068299430 /nfs/dbraw/zinc/29/94/30/1068299430.db2.gz PAXLIPXXRQXIBK-UNMCSNQZSA-N 1 0 488.702 3.100 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)[NH+](C)C ZINC001303743471 1068302595 /nfs/dbraw/zinc/30/25/95/1068302595.db2.gz CFDRAVTVCTZYLY-VAMGGRTRSA-N 1 0 481.707 3.085 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001303743772 1068303138 /nfs/dbraw/zinc/30/31/38/1068303138.db2.gz DCHMTJVTNKEZTK-HXUWFJFHSA-N 1 0 470.637 3.435 20 0 JGADRO C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](F)C1)C[NH+]1CCCC1 ZINC001303743745 1068303176 /nfs/dbraw/zinc/30/31/76/1068303176.db2.gz CZBUAARGQSCFFF-ZRNYENFQSA-N 1 0 480.629 3.113 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC001305184914 1068303156 /nfs/dbraw/zinc/30/31/56/1068303156.db2.gz JHDQVSZAPQDWMT-SBHAEUEKSA-N 1 0 492.665 3.075 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC001305184918 1068303292 /nfs/dbraw/zinc/30/32/92/1068303292.db2.gz JHDQVSZAPQDWMT-SVFBPWRDSA-N 1 0 492.665 3.075 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303744077 1068303691 /nfs/dbraw/zinc/30/36/91/1068303691.db2.gz GBPKXZATTFNXHC-IBGZPJMESA-N 1 0 451.619 3.130 20 0 JGADRO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303744172 1068303853 /nfs/dbraw/zinc/30/38/53/1068303853.db2.gz BGODWJVPHZVWQJ-QUCCMNQESA-N 1 0 455.607 3.175 20 0 JGADRO C[C@@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)CC1)C[NH+]1CCCC1 ZINC001303744218 1068304095 /nfs/dbraw/zinc/30/40/95/1068304095.db2.gz BZIHHXIUTGTFNR-QZTJIDSGSA-N 1 0 461.010 3.130 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303744150 1068304131 /nfs/dbraw/zinc/30/41/31/1068304131.db2.gz APBUWEGXUSWYCY-NHCUHLMSSA-N 1 0 467.662 3.451 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC001303744972 1068305343 /nfs/dbraw/zinc/30/53/43/1068305343.db2.gz VRCBGYKNKJEANE-JDKSZYQJSA-N 1 0 482.673 3.344 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305186917 1068305532 /nfs/dbraw/zinc/30/55/32/1068305532.db2.gz SDOXMEUGMHEQFI-UXHICEINSA-N 1 0 492.709 3.451 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303746166 1068306971 /nfs/dbraw/zinc/30/69/71/1068306971.db2.gz KBCCDULNFVJKDJ-INIZCTEOSA-N 1 0 450.990 3.430 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001303746797 1068307931 /nfs/dbraw/zinc/30/79/31/1068307931.db2.gz WIUDWNAFCYEONP-DENIHFKCSA-N 1 0 477.650 3.143 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(c2nccs2)CC1)[NH+](C)C ZINC001303746966 1068308511 /nfs/dbraw/zinc/30/85/11/1068308511.db2.gz UOAAGMMDXDYKMR-IPMKNSEASA-N 1 0 461.680 3.320 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303747204 1068308781 /nfs/dbraw/zinc/30/87/81/1068308781.db2.gz ZOMYKGOJMFVROY-WMZOPIPTSA-N 1 0 457.541 3.252 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C)C[NH+]1CCCC1 ZINC001303748275 1068309760 /nfs/dbraw/zinc/30/97/60/1068309760.db2.gz YSKYBZNKGCTBJA-IRXDYDNUSA-N 1 0 475.435 3.106 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)C[C@H](C)S1 ZINC001305189938 1068309721 /nfs/dbraw/zinc/30/97/21/1068309721.db2.gz KCENMQZSFSLWAI-HSALFYBXSA-N 1 0 469.721 3.167 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)C[NH+]1CCCCC1 ZINC001303750737 1068310735 /nfs/dbraw/zinc/31/07/35/1068310735.db2.gz DOMOPZUUJQTNFK-FPYOTAMTSA-N 1 0 467.643 3.231 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001303750863 1068310882 /nfs/dbraw/zinc/31/08/82/1068310882.db2.gz CPKHVFSQOQQFCX-DXBBTUNJSA-N 1 0 495.734 3.332 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001303750865 1068310917 /nfs/dbraw/zinc/31/09/17/1068310917.db2.gz CPKHVFSQOQQFCX-GXRSIYKFSA-N 1 0 495.734 3.332 20 0 JGADRO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC001303750731 1068311075 /nfs/dbraw/zinc/31/10/75/1068311075.db2.gz BYTISZJLWWDANE-VNTMZGSJSA-N 1 0 462.639 3.006 20 0 JGADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303751344 1068311303 /nfs/dbraw/zinc/31/13/03/1068311303.db2.gz IMJAWVQAZNVCRU-RTWAWAEBSA-N 1 0 460.667 3.420 20 0 JGADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303751343 1068311512 /nfs/dbraw/zinc/31/15/12/1068311512.db2.gz IMJAWVQAZNVCRU-NHCUHLMSSA-N 1 0 460.667 3.420 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001303751192 1068311553 /nfs/dbraw/zinc/31/15/53/1068311553.db2.gz HUMPNTJFIFBTTE-DHIUTWEWSA-N 1 0 473.710 3.047 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001303751469 1068311801 /nfs/dbraw/zinc/31/18/01/1068311801.db2.gz KPGACUQAZBBIBB-HXUWFJFHSA-N 1 0 478.645 3.418 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303751468 1068311851 /nfs/dbraw/zinc/31/18/51/1068311851.db2.gz KPGACUQAZBBIBB-FQEVSTJZSA-N 1 0 478.645 3.418 20 0 JGADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)OC(C)(C)C1)C[NH+]1CCCC1 ZINC001303751562 1068312242 /nfs/dbraw/zinc/31/22/42/1068312242.db2.gz LCCJCHQIKOOGGX-MSOLQXFVSA-N 1 0 460.648 3.005 20 0 JGADRO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1)C[NH+]1CCCCC1 ZINC001303752167 1068312704 /nfs/dbraw/zinc/31/27/04/1068312704.db2.gz DGTJPFMOPNQGGP-WOJBJXKFSA-N 1 0 462.639 3.309 20 0 JGADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001303752233 1068312916 /nfs/dbraw/zinc/31/29/16/1068312916.db2.gz OBCDYVCBXWTTGV-QGZVFWFLSA-N 1 0 481.567 3.290 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001305191120 1068313060 /nfs/dbraw/zinc/31/30/60/1068313060.db2.gz MUPJCURPVSLJEJ-WOJBJXKFSA-N 1 0 492.665 3.076 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303752441 1068313205 /nfs/dbraw/zinc/31/32/05/1068313205.db2.gz GJGSZVIEYOXLBX-UNMCSNQZSA-N 1 0 483.661 3.489 20 0 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C[C@H]1COCCN1c1nnc(-c2cc(F)ccc2Br)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305231929 1068378153 /nfs/dbraw/zinc/37/81/53/1068378153.db2.gz XVLZIRSHTMLVQM-INIZCTEOSA-N 1 0 495.441 3.098 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CC3)nnc2N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001303796197 1068384539 /nfs/dbraw/zinc/38/45/39/1068384539.db2.gz IDYFXOBSEGTFPV-ICSRJNTNSA-N 1 0 476.666 3.130 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001303797057 1068386234 /nfs/dbraw/zinc/38/62/34/1068386234.db2.gz KLNWDHZSWRLUBG-QZTJIDSGSA-N 1 0 462.664 3.397 20 0 JGADRO C[C@@H]1CSCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCCC1 ZINC001305238585 1068387822 /nfs/dbraw/zinc/38/78/22/1068387822.db2.gz RHZXBZUXXFSNNY-MOPGFXCFSA-N 1 0 480.679 3.014 20 0 JGADRO C[C@@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CCOC1(C)C ZINC001305240714 1068390532 /nfs/dbraw/zinc/39/05/32/1068390532.db2.gz QBWHDGAVCNKQJC-IRXDYDNUSA-N 1 0 469.615 3.294 20 0 JGADRO C[C@@H]1N(c2nnc(-c3ccc(Cl)nc3)n2CC2CC[NH+](CCN(C)C)CC2)CCOC1(C)C ZINC001305241715 1068391988 /nfs/dbraw/zinc/39/19/88/1068391988.db2.gz OCUMAOCKNCWBQA-SFHVURJKSA-N 1 0 476.069 3.271 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCCC2)C1 ZINC001303799430 1068392343 /nfs/dbraw/zinc/39/23/43/1068392343.db2.gz SYCAQBDXHNQEJS-UNMCSNQZSA-N 1 0 483.661 3.489 20 0 JGADRO C[C@@H]1CSCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001305241896 1068392646 /nfs/dbraw/zinc/39/26/46/1068392646.db2.gz VCMJTJMLEAZFHR-QRVBRYPASA-N 1 0 464.680 3.476 20 0 JGADRO C[C@H]1N(c2nnc(-c3ccc(Br)cc3)n2CCOCC[NH+](C)C)CCOC1(C)C ZINC001305242891 1068394388 /nfs/dbraw/zinc/39/43/88/1068394388.db2.gz ZYPCEPHNFRIORX-MRXNPFEDSA-N 1 0 466.424 3.290 20 0 JGADRO C[C@H]1N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)CCOC1(C)C ZINC001305243051 1068394611 /nfs/dbraw/zinc/39/46/11/1068394611.db2.gz IHIAWLVFLONFOM-UXHICEINSA-N 1 0 492.665 3.076 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001303800531 1068395238 /nfs/dbraw/zinc/39/52/38/1068395238.db2.gz YZXDJFZGZVBDNG-ROUUACIJSA-N 1 0 474.654 3.006 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CC3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001303801510 1068397684 /nfs/dbraw/zinc/39/76/84/1068397684.db2.gz WVJCGMYYXOZPHL-CEWLAPEOSA-N 1 0 476.666 3.132 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCOCC[NH+](C)C)C1 ZINC001303801457 1068397747 /nfs/dbraw/zinc/39/77/47/1068397747.db2.gz WHZUILASKXUOOV-RTBURBONSA-N 1 0 466.671 3.283 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 ZINC001303803312 1068401903 /nfs/dbraw/zinc/40/19/03/1068401903.db2.gz LSDYDCRYJGTIIH-SFHVURJKSA-N 1 0 474.675 3.051 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1C(C)(C)C)c1ccccc1 ZINC001303803716 1068402532 /nfs/dbraw/zinc/40/25/32/1068402532.db2.gz OJQJRHXRRKGXET-LJQANCHMSA-N 1 0 456.635 3.000 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001303803788 1068403296 /nfs/dbraw/zinc/40/32/96/1068403296.db2.gz PGFHAOFBHQBPFK-TXPKVOOTSA-N 1 0 478.594 3.121 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001303805424 1068408012 /nfs/dbraw/zinc/40/80/12/1068408012.db2.gz YNILUUNBMOAJMV-SESVDKBCSA-N 1 0 475.659 3.272 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CC[N@H+](C)C1CCCCC1 ZINC001303805488 1068408118 /nfs/dbraw/zinc/40/81/18/1068408118.db2.gz DMPVGPKHPZYCQO-GCJKJVERSA-N 1 0 474.675 3.277 20 0 JGADRO C[C@@H]1SCCN(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)[C@H]1C ZINC001305250415 1068409313 /nfs/dbraw/zinc/40/93/13/1068409313.db2.gz AMKVERIYSQXEDK-IRFCIJBXSA-N 1 0 450.697 3.124 20 0 JGADRO C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C(C)(C)C)cc3)n1CCOCC[NH+](C)C)CCO2 ZINC001305254052 1068415287 /nfs/dbraw/zinc/41/52/87/1068415287.db2.gz WYZGGXXMCKWYRL-FNZWTVRRSA-N 1 0 471.646 3.205 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cnn(-c3ccccc3)c2)n1CCOCC[NH+](C)C ZINC001305256307 1068419382 /nfs/dbraw/zinc/41/93/82/1068419382.db2.gz MQMCAUMFOWLSOW-MOPGFXCFSA-N 1 0 455.632 3.039 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303812265 1068422428 /nfs/dbraw/zinc/42/24/28/1068422428.db2.gz WGZBVHDJDHNVQH-UTKZUKDTSA-N 1 0 480.654 3.174 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303812492 1068423053 /nfs/dbraw/zinc/42/30/53/1068423053.db2.gz ZDUFGBVGXSYFMK-VQIMIIECSA-N 1 0 483.082 3.299 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(C(=O)N2CCCC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001305258946 1068425047 /nfs/dbraw/zinc/42/50/47/1068425047.db2.gz YCBUVIJIDHIELI-UXHICEINSA-N 1 0 456.660 3.366 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001305261635 1068431335 /nfs/dbraw/zinc/43/13/35/1068431335.db2.gz FENGYQIERVKTSS-NQIIRXRSSA-N 1 0 475.037 3.062 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001303817852 1068431363 /nfs/dbraw/zinc/43/13/63/1068431363.db2.gz UCENLLVKCUTFOF-MJGOQNOKSA-N 1 0 480.704 3.413 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCCC2)C1 ZINC001305262447 1068434016 /nfs/dbraw/zinc/43/40/16/1068434016.db2.gz BJQXBTUNKFPVJD-UYAOXDASSA-N 1 0 458.582 3.148 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCCC2)C1 ZINC001305262440 1068434133 /nfs/dbraw/zinc/43/41/33/1068434133.db2.gz BJQXBTUNKFPVJD-ICSRJNTNSA-N 1 0 458.582 3.148 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1CC1([NH+](C)C)CCCC1 ZINC001303819785 1068434447 /nfs/dbraw/zinc/43/44/47/1068434447.db2.gz JLMREWDCNIORLE-KRWDZBQOSA-N 1 0 478.638 3.071 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001305262776 1068435910 /nfs/dbraw/zinc/43/59/10/1068435910.db2.gz DMHRDTQVRQMZNA-QFIPXVFZSA-N 1 0 468.646 3.127 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001305262791 1068435933 /nfs/dbraw/zinc/43/59/33/1068435933.db2.gz DNHXWTSKKLPLOH-IEBWSBKVSA-N 1 0 471.631 3.025 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001305262778 1068436009 /nfs/dbraw/zinc/43/60/09/1068436009.db2.gz DNHXWTSKKLPLOH-HKUYNNGSSA-N 1 0 471.631 3.025 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001305263459 1068437198 /nfs/dbraw/zinc/43/71/98/1068437198.db2.gz CWPMMLUFNMZGRP-FCHUYYIVSA-N 1 0 453.635 3.023 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001305263882 1068439253 /nfs/dbraw/zinc/43/92/53/1068439253.db2.gz HEWFKHWEHWLMPC-LJQANCHMSA-N 1 0 494.644 3.208 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001305264024 1068440532 /nfs/dbraw/zinc/44/05/32/1068440532.db2.gz HQOWYTMUJNLEKO-FDFHNCONSA-N 1 0 460.667 3.035 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001305264531 1068442445 /nfs/dbraw/zinc/44/24/45/1068442445.db2.gz GOVAWMWTXXZBQY-VXKWHMMOSA-N 1 0 456.610 3.377 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](c3ccccc3)C[C@H]2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303826669 1068444155 /nfs/dbraw/zinc/44/41/55/1068444155.db2.gz MAOYHQXPQGILKA-RZUBCFFCSA-N 1 0 488.702 3.393 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccoc2CC(C)(C)C1)C(C)C ZINC001303827093 1068445554 /nfs/dbraw/zinc/44/55/54/1068445554.db2.gz NHDCXPITLZKQSI-GOSISDBHSA-N 1 0 480.679 3.189 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001305265599 1068446251 /nfs/dbraw/zinc/44/62/51/1068446251.db2.gz HNJZCPAAQJBBCH-UNMCSNQZSA-N 1 0 454.619 3.001 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001305265713 1068446785 /nfs/dbraw/zinc/44/67/85/1068446785.db2.gz IBEHIEQRNFNMFH-SFTDATJTSA-N 1 0 454.619 3.002 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCCC[NH+]2CCN(CC)CC2)C1 ZINC001305265793 1068447407 /nfs/dbraw/zinc/44/74/07/1068447407.db2.gz NELSUHUJMSMXQN-HSZRJFAPSA-N 1 0 481.689 3.166 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001303828398 1068448907 /nfs/dbraw/zinc/44/89/07/1068448907.db2.gz VMSOPLFZLSDFLW-QYZOEREBSA-N 1 0 460.648 3.234 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305266532 1068450159 /nfs/dbraw/zinc/45/01/59/1068450159.db2.gz LENCYIIQBCJCNW-UNMCSNQZSA-N 1 0 467.662 3.269 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001305266851 1068450801 /nfs/dbraw/zinc/45/08/01/1068450801.db2.gz PKTVSSVHFMKQLZ-AZUAARDMSA-N 1 0 455.632 3.143 20 0 JGADRO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1)[NH+]1CCCC1 ZINC001303829317 1068452157 /nfs/dbraw/zinc/45/21/57/1068452157.db2.gz DDXQORTUKAWTJU-UFYCRDLUSA-N 1 0 466.696 3.025 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305267112 1068452628 /nfs/dbraw/zinc/45/26/28/1068452628.db2.gz QFNOKLVIDSDWQC-GMAHTHKFSA-N 1 0 468.646 3.105 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001305267145 1068452701 /nfs/dbraw/zinc/45/27/01/1068452701.db2.gz UZWOVPFVUJAYNO-NRFANRHFSA-N 1 0 484.645 3.333 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001303829964 1068453364 /nfs/dbraw/zinc/45/33/64/1068453364.db2.gz GCFBOPCEZJLVPQ-LGGPRVQUSA-N 1 0 492.665 3.127 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001305267675 1068455337 /nfs/dbraw/zinc/45/53/37/1068455337.db2.gz NHYBTUKPQDGCHV-VJBWXMMDSA-N 1 0 490.693 3.152 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303830940 1068455443 /nfs/dbraw/zinc/45/54/43/1068455443.db2.gz MQPYVZOJQHDPJQ-DXGJXXFVSA-N 1 0 488.702 3.424 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001305268889 1068457975 /nfs/dbraw/zinc/45/79/75/1068457975.db2.gz PKFXVJNMTDQPBZ-PKTZIBPZSA-N 1 0 461.614 3.062 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1)C(C)C ZINC001303832635 1068459295 /nfs/dbraw/zinc/45/92/95/1068459295.db2.gz XXVAXMBUWTVREW-RBUKOAKNSA-N 1 0 454.685 3.024 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1)C(C)C ZINC001303832633 1068459305 /nfs/dbraw/zinc/45/93/05/1068459305.db2.gz XXVAXMBUWTVREW-MOPGFXCFSA-N 1 0 454.685 3.024 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001303832770 1068459961 /nfs/dbraw/zinc/45/99/61/1068459961.db2.gz ZXZCHDGNINMHRX-SQNIBIBYSA-N 1 0 480.704 3.269 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305269092 1068460095 /nfs/dbraw/zinc/46/00/95/1068460095.db2.gz TXOKKTFJMZSEFA-UXHICEINSA-N 1 0 453.635 3.346 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001305269439 1068462201 /nfs/dbraw/zinc/46/22/01/1068462201.db2.gz PWIYYQGRAWXZLW-PKTZIBPZSA-N 1 0 468.646 3.167 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001305269749 1068463451 /nfs/dbraw/zinc/46/34/51/1068463451.db2.gz VCNDVRQFDOUSIM-HCXYKTFWSA-N 1 0 496.747 3.428 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H]1CCCSC1 ZINC001303836208 1068465286 /nfs/dbraw/zinc/46/52/86/1068465286.db2.gz JTKNLCLKEPNFAY-FPOVZHCZSA-N 1 0 498.763 3.124 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001305270871 1068467160 /nfs/dbraw/zinc/46/71/60/1068467160.db2.gz XYJQPWZPFJYZBX-NRFANRHFSA-N 1 0 465.577 3.106 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001305271481 1068468534 /nfs/dbraw/zinc/46/85/34/1068468534.db2.gz ZMYYSFMGHMJKRB-ZJCBTPCYSA-N 1 0 453.635 3.346 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3CC)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001305271625 1068469174 /nfs/dbraw/zinc/46/91/74/1068469174.db2.gz SEIUXPYXRXKNHT-JOCHJYFZSA-N 1 0 498.672 3.025 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001303842214 1068470423 /nfs/dbraw/zinc/47/04/23/1068470423.db2.gz LZMDCGRFUHLACK-PXNSSMCTSA-N 1 0 478.638 3.101 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001305271806 1068470550 /nfs/dbraw/zinc/47/05/50/1068470550.db2.gz TVDQYGMOVHLFDC-GXRSIYKFSA-N 1 0 460.667 3.035 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001305272243 1068471135 /nfs/dbraw/zinc/47/11/35/1068471135.db2.gz TUHJYVIEJOLMKJ-RTWAWAEBSA-N 1 0 454.619 3.145 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303843443 1068474146 /nfs/dbraw/zinc/47/41/46/1068474146.db2.gz XUFBCXWVNOKCON-IBGZPJMESA-N 1 0 466.696 3.171 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303845275 1068478741 /nfs/dbraw/zinc/47/87/41/1068478741.db2.gz MBGMHFSRGSQIGD-FQEVSTJZSA-N 1 0 486.686 3.447 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001305278041 1068479453 /nfs/dbraw/zinc/47/94/53/1068479453.db2.gz NXSKSEAIRQWEQB-AANQFLQQSA-N 1 0 498.672 3.108 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001305278061 1068479470 /nfs/dbraw/zinc/47/94/70/1068479470.db2.gz NXSKSEAIRQWEQB-UCKMRUJXSA-N 1 0 498.672 3.108 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1)C(C)C ZINC001303846526 1068481053 /nfs/dbraw/zinc/48/10/53/1068481053.db2.gz SPWOZXNDALTAQV-PWRODBHTSA-N 1 0 468.712 3.414 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC(C)(C)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001303850312 1068485431 /nfs/dbraw/zinc/48/54/31/1068485431.db2.gz SKIXBVPPVHUKSD-HXUWFJFHSA-N 1 0 488.702 3.427 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCc3sccc3C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303851003 1068487379 /nfs/dbraw/zinc/48/73/79/1068487379.db2.gz ARILEGJTGSVHHB-QAPCUYQASA-N 1 0 494.712 3.267 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCCCC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001303851052 1068487887 /nfs/dbraw/zinc/48/78/87/1068487887.db2.gz BONBLDMUNFAXRK-SFHVURJKSA-N 1 0 480.704 3.242 20 0 JGADRO CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001305287296 1068488879 /nfs/dbraw/zinc/48/88/79/1068488879.db2.gz IXQLROFVHYBAPG-UHFFFAOYSA-N 1 0 450.635 3.497 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1CC[NH+]1CCCCCC1 ZINC001303851532 1068489626 /nfs/dbraw/zinc/48/96/26/1068489626.db2.gz GQYRVBJINFSWOF-GHTZIAJQSA-N 1 0 478.638 3.245 20 0 JGADRO CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001305288773 1068491420 /nfs/dbraw/zinc/49/14/20/1068491420.db2.gz OCNFBLUSBIBOKK-RUZDIDTESA-N 1 0 469.634 3.179 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CC[NH+]1CCCCCC1 ZINC001303853358 1068493692 /nfs/dbraw/zinc/49/36/92/1068493692.db2.gz QGBFLXVMAGBASD-NZQKXSOJSA-N 1 0 464.680 3.091 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC1CC(C)(C)C1 ZINC001303855910 1068495824 /nfs/dbraw/zinc/49/58/24/1068495824.db2.gz BNLPFOSJJULMFR-IBGZPJMESA-N 1 0 474.675 3.037 20 0 JGADRO CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305293699 1068498183 /nfs/dbraw/zinc/49/81/83/1068498183.db2.gz IQULBFURVBUJSZ-SWYRRKHMSA-N 1 0 488.652 3.323 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001305293781 1068498277 /nfs/dbraw/zinc/49/82/77/1068498277.db2.gz LFRZZESGKSWSPI-HSZRJFAPSA-N 1 0 495.455 3.157 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC001303858785 1068499352 /nfs/dbraw/zinc/49/93/52/1068499352.db2.gz GCXYEWHZJSJYPF-KZNAEPCWSA-N 1 0 481.066 3.191 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303859005 1068499914 /nfs/dbraw/zinc/49/99/14/1068499914.db2.gz ZIDXJJXTIHMGEM-LNLFQRSKSA-N 1 0 492.671 3.057 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCCc1ccccc1 ZINC001303864690 1068501967 /nfs/dbraw/zinc/50/19/67/1068501967.db2.gz FXILBYOYHLVPDF-FQEVSTJZSA-N 1 0 476.691 3.079 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCc1ccc(Cl)cc1 ZINC001303865383 1068502676 /nfs/dbraw/zinc/50/26/76/1068502676.db2.gz SBTFHQOEHIVLBX-GOSISDBHSA-N 1 0 497.109 3.343 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001303865956 1068502755 /nfs/dbraw/zinc/50/27/55/1068502755.db2.gz WTXYDHWBPFGSFZ-OALUTQOASA-N 1 0 468.712 3.273 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cccc2cccnc21 ZINC001303865274 1068503070 /nfs/dbraw/zinc/50/30/70/1068503070.db2.gz PUXIGLUEORTAOL-LJQANCHMSA-N 1 0 499.685 3.043 20 0 JGADRO CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001305301876 1068510760 /nfs/dbraw/zinc/51/07/60/1068510760.db2.gz VVYNOSSTVGRHRB-PUFAWVJESA-N 1 0 476.666 3.227 20 0 JGADRO C[C@](O)(C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)CC1)C(F)(F)F ZINC001303875927 1068510741 /nfs/dbraw/zinc/51/07/41/1068510741.db2.gz DNFPHIWHSWNKTP-JPYJTQIMSA-N 1 0 499.553 3.461 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303876449 1068511131 /nfs/dbraw/zinc/51/11/31/1068511131.db2.gz OUOOHOFUXDYSTH-LJQANCHMSA-N 1 0 498.763 3.409 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1CCC[N@H+](C)Cc1ccccc1 ZINC001303877220 1068511626 /nfs/dbraw/zinc/51/16/26/1068511626.db2.gz LTDUXRJFGAWIIC-LEEZEASISA-N 1 0 474.675 3.179 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001305302973 1068511982 /nfs/dbraw/zinc/51/19/82/1068511982.db2.gz WQSGYKXDBIXWGF-RUZDIDTESA-N 1 0 450.587 3.011 20 0 JGADRO CC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001305306193 1068513700 /nfs/dbraw/zinc/51/37/00/1068513700.db2.gz HSBXBOOHVXOIFR-MHECFPHRSA-N 1 0 462.038 3.373 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303879062 1068514144 /nfs/dbraw/zinc/51/41/44/1068514144.db2.gz VFOLUKWZCXYZQZ-SFNKJDCFSA-N 1 0 490.665 3.126 20 0 JGADRO CC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001305306927 1068514134 /nfs/dbraw/zinc/51/41/34/1068514134.db2.gz OBFKGLCYHZKPFY-RUZDIDTESA-N 1 0 483.686 3.053 20 0 JGADRO C[C@@](O)(C1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303879397 1068515254 /nfs/dbraw/zinc/51/52/54/1068515254.db2.gz IANBXFGWQSWQJD-OAQYLSRUSA-N 1 0 452.525 3.356 20 0 JGADRO CC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001305311099 1068520840 /nfs/dbraw/zinc/52/08/40/1068520840.db2.gz JJBSRGJQNFKEBQ-RUZDIDTESA-N 1 0 482.654 3.143 20 0 JGADRO C[C@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001303887299 1068524746 /nfs/dbraw/zinc/52/47/46/1068524746.db2.gz HTPWTUVIVYRSJO-FQEVSTJZSA-N 1 0 468.646 3.060 20 0 JGADRO CC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001305313604 1068526133 /nfs/dbraw/zinc/52/61/33/1068526133.db2.gz PVISKVMNFLARKS-SANMLTNESA-N 1 0 471.646 3.184 20 0 JGADRO CC[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305314791 1068528483 /nfs/dbraw/zinc/52/84/83/1068528483.db2.gz JFFUZMHXDRJKON-RHGYRFJNSA-N 1 0 464.655 3.130 20 0 JGADRO CC[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001305314807 1068528892 /nfs/dbraw/zinc/52/88/92/1068528892.db2.gz JLVBZUHZLVHICX-MBSDFSHPSA-N 1 0 450.628 3.042 20 0 JGADRO CC[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001305314806 1068528923 /nfs/dbraw/zinc/52/89/23/1068528923.db2.gz JLVBZUHZLVHICX-FDDCHVKYSA-N 1 0 450.628 3.042 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001303893228 1068531022 /nfs/dbraw/zinc/53/10/22/1068531022.db2.gz PVHKYBYIPVKZCG-ROUUACIJSA-N 1 0 472.609 3.392 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)C(C)C ZINC001303895541 1068533519 /nfs/dbraw/zinc/53/35/19/1068533519.db2.gz NMHHJKRKWXPTAM-MHECFPHRSA-N 1 0 460.598 3.378 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001303895790 1068533906 /nfs/dbraw/zinc/53/39/06/1068533906.db2.gz RTDYYCYOPIYVDU-QZTJIDSGSA-N 1 0 458.582 3.133 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCSCCCO ZINC001303895837 1068534432 /nfs/dbraw/zinc/53/44/32/1068534432.db2.gz SRJHGPHIWPUCEC-BJLQDIEVSA-N 1 0 463.623 3.346 20 0 JGADRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001305319761 1068536518 /nfs/dbraw/zinc/53/65/18/1068536518.db2.gz GERFHOSUQUNTQL-IMWIBFENSA-N 1 0 477.053 3.339 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H](C)[NH+](C)C ZINC001303897613 1068538888 /nfs/dbraw/zinc/53/88/88/1068538888.db2.gz LDYOQAMMTAQLGR-JKSUJKDBSA-N 1 0 458.504 3.192 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001305321705 1068539488 /nfs/dbraw/zinc/53/94/88/1068539488.db2.gz ZQWVBBALXBIEEJ-JVFUWBCBSA-N 1 0 457.619 3.434 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303899935 1068542892 /nfs/dbraw/zinc/54/28/92/1068542892.db2.gz XHQKYWMBZWFISI-LQWHRVPQSA-N 1 0 472.609 3.379 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001303899945 1068542906 /nfs/dbraw/zinc/54/29/06/1068542906.db2.gz XJYSCMUCMITEMB-CNNODRBYSA-N 1 0 493.649 3.445 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303900535 1068543695 /nfs/dbraw/zinc/54/36/95/1068543695.db2.gz YWGSMYQVZOEDRG-FUHIMQAGSA-N 1 0 470.549 3.155 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001303902323 1068545996 /nfs/dbraw/zinc/54/59/96/1068545996.db2.gz WJWWGRGEDMIUFY-PZJWPPBQSA-N 1 0 472.609 3.489 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCC(=O)N(C)C ZINC001303902738 1068546492 /nfs/dbraw/zinc/54/64/92/1068546492.db2.gz XVXMXLVPLXVTOG-UYAOXDASSA-N 1 0 458.582 3.100 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303903697 1068547521 /nfs/dbraw/zinc/54/75/21/1068547521.db2.gz TYNUOGULLYKMEW-GOSISDBHSA-N 1 0 463.623 3.248 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001305325840 1068547667 /nfs/dbraw/zinc/54/76/67/1068547667.db2.gz KHRUBXLFBAHGTH-CUNXSJBXSA-N 1 0 477.657 3.396 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001303904012 1068548043 /nfs/dbraw/zinc/54/80/43/1068548043.db2.gz VJKOGRHGAFZGJQ-GLDPYIMESA-N 1 0 461.582 3.282 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001303904020 1068548159 /nfs/dbraw/zinc/54/81/59/1068548159.db2.gz VJKOGRHGAFZGJQ-XLNZFTOWSA-N 1 0 461.582 3.282 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCOC(C)(C)C2)n1CCCC[NH+]1CCOCC1 ZINC001303904259 1068548502 /nfs/dbraw/zinc/54/85/02/1068548502.db2.gz VZRHACXDOSTLLB-LJQANCHMSA-N 1 0 461.582 3.285 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCCS(C)(=O)=O ZINC001303908951 1068555949 /nfs/dbraw/zinc/55/59/49/1068555949.db2.gz HCGWZIYTRCNHAU-ZIFCJYIRSA-N 1 0 482.050 3.179 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001305330913 1068557428 /nfs/dbraw/zinc/55/74/28/1068557428.db2.gz VXQIOIMCXRGPOM-FNZWTVRRSA-N 1 0 480.661 3.243 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC(=O)N(C)C ZINC001303910012 1068557760 /nfs/dbraw/zinc/55/77/60/1068557760.db2.gz LLSPZZGLGPKLKL-JENIJYKNSA-N 1 0 461.010 3.223 20 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JGADRO CCC(CC)[C@H](Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC001305454202 1068691531 /nfs/dbraw/zinc/69/15/31/1068691531.db2.gz UXKZEBNVSRJPBZ-NNWRFLSQSA-N 1 0 460.667 3.130 20 0 JGADRO CC[C@@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1nccn1C(F)F ZINC001305454888 1068694098 /nfs/dbraw/zinc/69/40/98/1068694098.db2.gz AXPHUUQPHACFBB-MSOLQXFVSA-N 1 0 450.582 3.036 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305454879 1068694116 /nfs/dbraw/zinc/69/41/16/1068694116.db2.gz ASXSVVIBQCJKIY-ICSRJNTNSA-N 1 0 495.594 3.392 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305456545 1068696628 /nfs/dbraw/zinc/69/66/28/1068696628.db2.gz GBEOVJOZTWDZLQ-HKUYNNGSSA-N 1 0 463.577 3.053 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001305456685 1068697215 /nfs/dbraw/zinc/69/72/15/1068697215.db2.gz GTFIOFAYEQBOEJ-OAQYLSRUSA-N 1 0 499.679 3.356 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001305458908 1068701158 /nfs/dbraw/zinc/70/11/58/1068701158.db2.gz PTFHCCWXPLGXNX-CLLDFNAGSA-N 1 0 472.653 3.443 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001305459418 1068701428 /nfs/dbraw/zinc/70/14/28/1068701428.db2.gz NSRPADLMDIEMTQ-VVZHRXSXSA-N 1 0 454.663 3.224 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CCN1CCOCC1(C)C ZINC001305459556 1068701657 /nfs/dbraw/zinc/70/16/57/1068701657.db2.gz ZVYCDFWIHGAGHE-HXUWFJFHSA-N 1 0 468.646 3.301 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001305460934 1068703789 /nfs/dbraw/zinc/70/37/89/1068703789.db2.gz XUHRDMBVGGMPHD-REWPJTCUSA-N 1 0 499.679 3.274 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305462774 1068706124 /nfs/dbraw/zinc/70/61/24/1068706124.db2.gz HKRNIEKLGGFSES-SLFFLAALSA-N 1 0 483.661 3.454 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC[NH+]1CCSCC1 ZINC001305467349 1068711273 /nfs/dbraw/zinc/71/12/73/1068711273.db2.gz ODYGSZRPAJRUTD-GOSISDBHSA-N 1 0 459.660 3.463 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001305469621 1068711828 /nfs/dbraw/zinc/71/18/28/1068711828.db2.gz HEDHSAYXTYQYOJ-HXUWFJFHSA-N 1 0 468.646 3.081 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305482495 1068719348 /nfs/dbraw/zinc/71/93/48/1068719348.db2.gz RYGBTVGUQMLUIH-UNMCSNQZSA-N 1 0 456.683 3.183 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001305485131 1068720842 /nfs/dbraw/zinc/72/08/42/1068720842.db2.gz DIKUJCIZZLPOSV-RTBURBONSA-N 1 0 450.697 3.219 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001305485097 1068721442 /nfs/dbraw/zinc/72/14/42/1068721442.db2.gz CEAIONNIILFUTM-IFMALSPDSA-N 1 0 468.646 3.372 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001305490188 1068728365 /nfs/dbraw/zinc/72/83/65/1068728365.db2.gz WKJXFRZGSSDCJV-FUDKSRODSA-N 1 0 467.662 3.107 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001305492832 1068731261 /nfs/dbraw/zinc/73/12/61/1068731261.db2.gz UYFDQACIJPTRLL-VABKMULXSA-N 1 0 474.694 3.235 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001305508734 1068747160 /nfs/dbraw/zinc/74/71/60/1068747160.db2.gz FDYOVYDYIKMKKA-FQEVSTJZSA-N 1 0 470.662 3.475 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305511570 1068752906 /nfs/dbraw/zinc/75/29/06/1068752906.db2.gz CSHJZTYRABSUGZ-YADHBBJMSA-N 1 0 482.673 3.423 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305511567 1068753001 /nfs/dbraw/zinc/75/30/01/1068753001.db2.gz CSHJZTYRABSUGZ-FGZHOGPDSA-N 1 0 482.673 3.423 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305512829 1068754666 /nfs/dbraw/zinc/75/46/66/1068754666.db2.gz VQJAGFGAGPRPIL-JOCHJYFZSA-N 1 0 481.689 3.028 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCc1cccc(F)c1 ZINC001305512682 1068755555 /nfs/dbraw/zinc/75/55/55/1068755555.db2.gz HLLFFGQOAVHNCB-KNQAVFIVSA-N 1 0 456.610 3.306 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCOc1cccc(OC)c1 ZINC001305512672 1068755647 /nfs/dbraw/zinc/75/56/47/1068755647.db2.gz HLDMRHNVOPUGPD-NFBKMPQASA-N 1 0 484.645 3.012 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001305513189 1068757444 /nfs/dbraw/zinc/75/74/44/1068757444.db2.gz IZYCOWJLFFOFBI-WIYYLYMNSA-N 1 0 489.064 3.439 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)Oc1cccc(OC)c1 ZINC001305513801 1068758301 /nfs/dbraw/zinc/75/83/01/1068758301.db2.gz JDIHDQBCZSVSBO-NHCUHLMSSA-N 1 0 484.645 3.012 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305513886 1068758886 /nfs/dbraw/zinc/75/88/86/1068758886.db2.gz MFCMPXALQCADPU-ILWGZMRPSA-N 1 0 460.667 3.130 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305514346 1068759887 /nfs/dbraw/zinc/75/98/87/1068759887.db2.gz OPXJPROJUSVNEM-CLOONOSVSA-N 1 0 488.677 3.259 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001305514552 1068760533 /nfs/dbraw/zinc/76/05/33/1068760533.db2.gz PUKMUQUSQITLMQ-CTNGQTDRSA-N 1 0 456.610 3.306 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001305514554 1068760634 /nfs/dbraw/zinc/76/06/34/1068760634.db2.gz PUKMUQUSQITLMQ-FPOVZHCZSA-N 1 0 456.610 3.306 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001305515525 1068762529 /nfs/dbraw/zinc/76/25/29/1068762529.db2.gz VNHAFZSXPSBRIX-OALUTQOASA-N 1 0 487.718 3.412 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001305517260 1068765518 /nfs/dbraw/zinc/76/55/18/1068765518.db2.gz WGLLWDWSMFDGDX-ZLNRFVROSA-N 1 0 489.709 3.124 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001305517657 1068766628 /nfs/dbraw/zinc/76/66/28/1068766628.db2.gz YWOYYEMKVRODNU-UGKGYDQZSA-N 1 0 469.634 3.099 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305519055 1068769341 /nfs/dbraw/zinc/76/93/41/1068769341.db2.gz PDEXHMATOWGQGH-FKBYEOEOSA-N 1 0 473.710 3.093 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305523066 1068776099 /nfs/dbraw/zinc/77/60/99/1068776099.db2.gz LWXRGPNHFXSIHJ-PWRODBHTSA-N 1 0 497.688 3.105 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305525555 1068779091 /nfs/dbraw/zinc/77/90/91/1068779091.db2.gz IHNJXAMTGFHUBN-UYAOXDASSA-N 1 0 462.042 3.013 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305528005 1068782013 /nfs/dbraw/zinc/78/20/13/1068782013.db2.gz ROTZKFCVHDCKNJ-FQEVSTJZSA-N 1 0 489.112 3.440 20 0 JGADRO CC[C@@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001305529448 1068784408 /nfs/dbraw/zinc/78/44/08/1068784408.db2.gz DCTZWIRJDWGXQE-HXUWFJFHSA-N 1 0 468.646 3.372 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC1(OCCOC)CCOCC1 ZINC001305531322 1068787403 /nfs/dbraw/zinc/78/74/03/1068787403.db2.gz UDWLBAMWICZIOU-RTWAWAEBSA-N 1 0 463.667 3.314 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001305532111 1068789059 /nfs/dbraw/zinc/78/90/59/1068789059.db2.gz HUFZKEJRKMWLSH-LJQANCHMSA-N 1 0 478.645 3.335 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)[NH+]1CCCC1 ZINC001305532483 1068790000 /nfs/dbraw/zinc/79/00/00/1068790000.db2.gz BREPODPDVVXXJP-JLLPCOHGSA-N 1 0 487.737 3.293 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)[NH+]1CCCC1 ZINC001305532489 1068790132 /nfs/dbraw/zinc/79/01/32/1068790132.db2.gz BREPODPDVVXXJP-UARRHKHWSA-N 1 0 487.737 3.293 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(N)=O)cc1 ZINC001305534338 1068794054 /nfs/dbraw/zinc/79/40/54/1068794054.db2.gz JUHXBTPFEZFAMJ-ZWKOTPCHSA-N 1 0 455.607 3.020 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1)[NH+]1CCCC1 ZINC001305534360 1068794246 /nfs/dbraw/zinc/79/42/46/1068794246.db2.gz GPBCHGOVTVFHQO-CJRSTVEYSA-N 1 0 487.737 3.483 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305534816 1068794744 /nfs/dbraw/zinc/79/47/44/1068794744.db2.gz IWBGNKONSFOASK-SGNDLWITSA-N 1 0 487.737 3.437 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CCC[NH+]1CCCCC1 ZINC001305534822 1068795197 /nfs/dbraw/zinc/79/51/97/1068795197.db2.gz IWXYVHXGSAXVGI-DHIUTWEWSA-N 1 0 473.710 3.191 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001305534969 1068795219 /nfs/dbraw/zinc/79/52/19/1068795219.db2.gz LMTNJHUXLFSGMP-UNMCSNQZSA-N 1 0 487.718 3.291 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCC[NH+]1CCCCC1 ZINC001305534829 1068795268 /nfs/dbraw/zinc/79/52/68/1068795268.db2.gz IWXYVHXGSAXVGI-PKTZIBPZSA-N 1 0 473.710 3.191 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305535880 1068797228 /nfs/dbraw/zinc/79/72/28/1068797228.db2.gz WKQYDJADYYKBSH-HXUWFJFHSA-N 1 0 470.666 3.347 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001305536961 1068800180 /nfs/dbraw/zinc/80/01/80/1068800180.db2.gz RIWLBQQTIZGVIU-NRFANRHFSA-N 1 0 461.699 3.047 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CC[NH+]1CCCCC1 ZINC001305538815 1068805650 /nfs/dbraw/zinc/80/56/50/1068805650.db2.gz XAVFVRIRFUCZNY-RJGXRXQPSA-N 1 0 473.710 3.094 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001305539395 1068807081 /nfs/dbraw/zinc/80/70/81/1068807081.db2.gz RHSPEFYAPSLDAY-IPMKNSEASA-N 1 0 460.589 3.221 20 0 JGADRO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001305541113 1068811985 /nfs/dbraw/zinc/81/19/85/1068811985.db2.gz WQKQVHNMSRPQEF-GGAORHGYSA-N 1 0 482.673 3.296 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001305542258 1068814342 /nfs/dbraw/zinc/81/43/42/1068814342.db2.gz CACZZNMKALFEGV-WFXMLNOXSA-N 1 0 461.573 3.434 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(Cc3cc(C)on3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305542654 1068815725 /nfs/dbraw/zinc/81/57/25/1068815725.db2.gz OZKXRKTVPANPLQ-JBACZVJFSA-N 1 0 473.666 3.298 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)s1 ZINC001305543161 1068817192 /nfs/dbraw/zinc/81/71/92/1068817192.db2.gz HRAQEWGCGOTAGL-CTNGQTDRSA-N 1 0 460.692 3.441 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1cccc(OC)c1 ZINC001305544577 1068820595 /nfs/dbraw/zinc/82/05/95/1068820595.db2.gz RAPCHACQMFPIHG-RCZVLFRGSA-N 1 0 484.689 3.274 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1csc(C)c1 ZINC001305544386 1068820639 /nfs/dbraw/zinc/82/06/39/1068820639.db2.gz PLHCQPWIAKFTRS-KNQAVFIVSA-N 1 0 460.692 3.441 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@H]1CC=CCO1 ZINC001305545179 1068822696 /nfs/dbraw/zinc/82/26/96/1068822696.db2.gz VOOOTHRZFYPNSX-LADGPHEKSA-N 1 0 452.647 3.391 20 0 JGADRO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305545717 1068823652 /nfs/dbraw/zinc/82/36/52/1068823652.db2.gz XWLBIWUPDXIAIE-MJGOQNOKSA-N 1 0 482.551 3.335 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001305548393 1068827670 /nfs/dbraw/zinc/82/76/70/1068827670.db2.gz UEETWMSUBJSNFX-PMACEKPBSA-N 1 0 476.691 3.150 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001305550221 1068828935 /nfs/dbraw/zinc/82/89/35/1068828935.db2.gz ZTHGTVJLIFGSFS-QKNQBKEWSA-N 1 0 453.635 3.477 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001305550661 1068829256 /nfs/dbraw/zinc/82/92/56/1068829256.db2.gz JMOOEEPOHKIAAR-ONTIZHBOSA-N 1 0 481.645 3.175 20 0 JGADRO CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001305551892 1068831211 /nfs/dbraw/zinc/83/12/11/1068831211.db2.gz MSSRWKBFWXVCPW-GERBCZOESA-N 1 0 456.591 3.134 20 0 JGADRO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001305552288 1068831333 /nfs/dbraw/zinc/83/13/33/1068831333.db2.gz CFTSZQJCPKDGSX-IMSXRSKXSA-N 1 0 470.662 3.404 20 0 JGADRO CC[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305556269 1068834192 /nfs/dbraw/zinc/83/41/92/1068834192.db2.gz MEGOPNHMZIOVSC-WWPVKYPJSA-N 1 0 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CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)[NH+](C)C ZINC001305702257 1069084013 /nfs/dbraw/zinc/08/40/13/1069084013.db2.gz AKVWJVRGLKBUSE-VXKWHMMOSA-N 1 0 477.053 3.306 20 0 JGADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCCN(C(=O)c2ccsc2)CC1)[NH+]1CCOCC1 ZINC001305702302 1069084699 /nfs/dbraw/zinc/08/46/99/1069084699.db2.gz BDJNODQNYYGFSB-QFIPXVFZSA-N 1 0 474.675 3.138 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)CC1)[NH+](C)C ZINC001305704164 1069089569 /nfs/dbraw/zinc/08/95/69/1069089569.db2.gz BXGXMKBQJMXBIV-DEOSSOPVSA-N 1 0 478.645 3.166 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC001305704485 1069091421 /nfs/dbraw/zinc/09/14/21/1069091421.db2.gz LWCJDLWMYKCYEV-XZOQPEGZSA-N 1 0 487.624 3.263 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001305704764 1069091516 /nfs/dbraw/zinc/09/15/16/1069091516.db2.gz HUFXJUDQPXVEHD-LAUBAEHRSA-N 1 0 460.598 3.250 20 0 JGADRO 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CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C)[NH+](C)C ZINC001305706590 1069095956 /nfs/dbraw/zinc/09/59/56/1069095956.db2.gz NORASXYYOXSIRO-GCJKJVERSA-N 1 0 456.635 3.377 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)[NH+](C)C ZINC001305706636 1069096347 /nfs/dbraw/zinc/09/63/47/1069096347.db2.gz OBOSAVWRXCKHPP-NRFANRHFSA-N 1 0 481.649 3.073 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305707262 1069096869 /nfs/dbraw/zinc/09/68/69/1069096869.db2.gz DDODPWOQHWPWGY-GHTZIAJQSA-N 1 0 465.639 3.464 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305707264 1069096899 /nfs/dbraw/zinc/09/68/99/1069096899.db2.gz DDODPWOQHWPWGY-RXVVDRJESA-N 1 0 465.639 3.464 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001305707421 1069098421 /nfs/dbraw/zinc/09/84/21/1069098421.db2.gz FEMFNSOEWVARTO-YSZBQJHXSA-N 1 0 459.610 3.428 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOC[C@@H]1C)[NH+](C)C ZINC001305707753 1069098795 /nfs/dbraw/zinc/09/87/95/1069098795.db2.gz TUBIALSCHCEHDZ-UWJYYQICSA-N 1 0 477.053 3.453 20 0 JGADRO CCC(CC)[C@H](CCn1c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nnc1C(C)(C)C)OC ZINC001305707659 1069098870 /nfs/dbraw/zinc/09/88/70/1069098870.db2.gz SHBFCAPFMOLJKW-NRFANRHFSA-N 1 0 462.683 3.161 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2)CC1)[NH+](C)C ZINC001305708032 1069100078 /nfs/dbraw/zinc/10/00/78/1069100078.db2.gz ULKNLBQGAIZDMR-HSZRJFAPSA-N 1 0 467.662 3.207 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(NC(C)=O)CC1)[NH+](C)C ZINC001305708523 1069101240 /nfs/dbraw/zinc/10/12/40/1069101240.db2.gz KGRKAMZWADLJLA-OAQYLSRUSA-N 1 0 470.618 3.145 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001305708601 1069101278 /nfs/dbraw/zinc/10/12/78/1069101278.db2.gz WEHPOKCEBZIIKQ-LSYVANFTSA-N 1 0 456.635 3.479 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C)[NH+]1CCOCC1 ZINC001305709125 1069102686 /nfs/dbraw/zinc/10/26/86/1069102686.db2.gz ACBXPRRZIDPTMK-PKTZIBPZSA-N 1 0 468.646 3.311 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2ncccc2F)CC1)[NH+]1CCOCC1 ZINC001305708949 1069102750 /nfs/dbraw/zinc/10/27/50/1069102750.db2.gz ZXVNJWODOONKNZ-JOCHJYFZSA-N 1 0 473.641 3.399 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCN(C(C)=O)CC1)[NH+](C)C ZINC001305709137 1069103281 /nfs/dbraw/zinc/10/32/81/1069103281.db2.gz ACUXAQGISZIPNX-JOCHJYFZSA-N 1 0 494.644 3.019 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)C1)[NH+](C)C ZINC001305709446 1069104080 /nfs/dbraw/zinc/10/40/80/1069104080.db2.gz PUGHESJYZCSCCD-IBGZPJMESA-N 1 0 477.451 3.352 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001305709828 1069105424 /nfs/dbraw/zinc/10/54/24/1069105424.db2.gz GOTZQGJIMDRAQH-NFBKMPQASA-N 1 0 473.710 3.045 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001305709767 1069105532 /nfs/dbraw/zinc/10/55/32/1069105532.db2.gz ROLDMGZBKFFKIT-CVDCTZTESA-N 1 0 487.645 3.324 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1cc(C)on1)[NH+](C)C ZINC001305709853 1069105597 /nfs/dbraw/zinc/10/55/97/1069105597.db2.gz GSUXMKGDWUCJLI-QFIPXVFZSA-N 1 0 492.628 3.491 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305710021 1069106684 /nfs/dbraw/zinc/10/66/84/1069106684.db2.gz DFUMKUKAELKEIV-SIKLNZKXSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001305710018 1069106752 /nfs/dbraw/zinc/10/67/52/1069106752.db2.gz DFUMKUKAELKEIV-DENIHFKCSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(CNC(C)=O)CC1)[NH+]1CCOCC1 ZINC001305710321 1069107242 /nfs/dbraw/zinc/10/72/42/1069107242.db2.gz UOKAKKNIOMQUEO-VWLOTQADSA-N 1 0 482.673 3.435 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)[NH+](C)C ZINC001305710089 1069107293 /nfs/dbraw/zinc/10/72/93/1069107293.db2.gz HFIPDMUFPDQDDV-OAQYLSRUSA-N 1 0 470.666 3.346 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001305710729 1069108365 /nfs/dbraw/zinc/10/83/65/1069108365.db2.gz IIDFYBHGZSCOHI-SQJMNOBHSA-N 1 0 456.610 3.233 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cncn2)C1)[NH+](C)C ZINC001305710764 1069108383 /nfs/dbraw/zinc/10/83/83/1069108383.db2.gz JBZNKXVBUANXIY-LEWJYISDSA-N 1 0 471.679 3.433 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)[C@@H]1CC)[NH+](C)C ZINC001305711137 1069109417 /nfs/dbraw/zinc/10/94/17/1069109417.db2.gz KRYNZOOLRPQYMJ-SFTDATJTSA-N 1 0 462.589 3.228 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1)[NH+](C)C ZINC001305711167 1069110078 /nfs/dbraw/zinc/11/00/78/1069110078.db2.gz AXDXOPRHYHWUIF-OALUTQOASA-N 1 0 465.689 3.171 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305711417 1069110519 /nfs/dbraw/zinc/11/05/19/1069110519.db2.gz MMVQAFOXVKEGAP-UGKGYDQZSA-N 1 0 458.676 3.343 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC)C1)[NH+]1CCOCC1 ZINC001305711345 1069110635 /nfs/dbraw/zinc/11/06/35/1069110635.db2.gz LGSMXEOYUVISNG-GOTSBHOMSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001305711713 1069111053 /nfs/dbraw/zinc/11/10/53/1069111053.db2.gz NWIWYFORTQPRAE-QHCPKHFHSA-N 1 0 467.662 3.079 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1)[NH+](C)C ZINC001305711604 1069111186 /nfs/dbraw/zinc/11/11/86/1069111186.db2.gz PQBNIGGLGIZPAR-HSZRJFAPSA-N 1 0 494.644 3.274 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCOCC1 ZINC001305712106 1069112295 /nfs/dbraw/zinc/11/22/95/1069112295.db2.gz PNQNLFBLNBOOFW-OFNKIYASSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC1CCOCC1)[NH+]1CCOCC1 ZINC001305712416 1069112474 /nfs/dbraw/zinc/11/24/74/1069112474.db2.gz GILPHDUVXCMYFY-PKTZIBPZSA-N 1 0 463.667 3.172 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC001305712729 1069113066 /nfs/dbraw/zinc/11/30/66/1069113066.db2.gz VMEOKNRWLGTWNA-NQIIRXRSSA-N 1 0 483.690 3.441 20 0 JGADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001305713124 1069114660 /nfs/dbraw/zinc/11/46/60/1069114660.db2.gz WRSCPTWMIHGHAJ-QFIPXVFZSA-N 1 0 460.667 3.165 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001305713160 1069114669 /nfs/dbraw/zinc/11/46/69/1069114669.db2.gz WZXUPCPGMKANDB-LPHOPBHVSA-N 1 0 460.623 3.376 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001305713343 1069115359 /nfs/dbraw/zinc/11/53/59/1069115359.db2.gz URALTUJWHPTAAI-ZRBLBEILSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001305713337 1069115405 /nfs/dbraw/zinc/11/54/05/1069115405.db2.gz UPSFXFOITXHXMC-XQBPLPMBSA-N 1 0 453.635 3.497 20 0 JGADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001305713403 1069115406 /nfs/dbraw/zinc/11/54/06/1069115406.db2.gz VXBIEWXNFWANJG-GOTSBHOMSA-N 1 0 474.694 3.205 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305713719 1069116347 /nfs/dbraw/zinc/11/63/47/1069116347.db2.gz GTEIDSPEWPBRDW-FCHUYYIVSA-N 1 0 460.667 3.335 20 0 JGADRO CCC(CC)[C@H](Cn1c(N2CCS[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCOCC1 ZINC001305715237 1069120248 /nfs/dbraw/zinc/12/02/48/1069120248.db2.gz MBOYFIMLJMKUMQ-XTJBDQBJSA-N 1 0 495.734 3.397 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1)[NH+](C)C ZINC001305715433 1069120931 /nfs/dbraw/zinc/12/09/31/1069120931.db2.gz MGZKFMVGPBCRES-UFYCRDLUSA-N 1 0 487.661 3.418 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1)[NH+](C)C ZINC001305715438 1069120951 /nfs/dbraw/zinc/12/09/51/1069120951.db2.gz MGZKFMVGPBCRES-ZCNNSNEGSA-N 1 0 487.661 3.418 20 0 JGADRO CCC(CC)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)[NH+](C)C ZINC001305716226 1069122280 /nfs/dbraw/zinc/12/22/80/1069122280.db2.gz PNPAMPVFAPTIHH-DHIUTWEWSA-N 1 0 497.688 3.396 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)OC2(CCOCC2)C1)[NH+](C)C ZINC001305716250 1069122313 /nfs/dbraw/zinc/12/23/13/1069122313.db2.gz ORBGSOAKYHSBNT-SNJCGAMXSA-N 1 0 493.693 3.143 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305716638 1069122921 /nfs/dbraw/zinc/12/29/21/1069122921.db2.gz RBTXUWLZUHQSLP-RZPFDVGOSA-N 1 0 487.693 3.280 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305716639 1069122931 /nfs/dbraw/zinc/12/29/31/1069122931.db2.gz RBTXUWLZUHQSLP-VIICAESSSA-N 1 0 487.693 3.280 20 0 JGADRO CCC(CC)[C@@H](Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305716567 1069122949 /nfs/dbraw/zinc/12/29/49/1069122949.db2.gz QDHVJJKOXYEHPT-LJQANCHMSA-N 1 0 450.672 3.064 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(OC)C1)[NH+]1CCOCC1 ZINC001305716854 1069123527 /nfs/dbraw/zinc/12/35/27/1069123527.db2.gz QDVUYHAVPCWMQA-HWBMXIPRSA-N 1 0 463.667 3.314 20 0 JGADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2OCO[C@H]2C1)[NH+](C)C ZINC001305717003 1069124365 /nfs/dbraw/zinc/12/43/65/1069124365.db2.gz SJKZNKVBAJNDIY-RJGXRXQPSA-N 1 0 457.619 3.402 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001305718730 1069126690 /nfs/dbraw/zinc/12/66/90/1069126690.db2.gz ZYWXXFLTORWZCT-SWUCNREESA-N 1 0 462.683 3.043 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001305719969 1069128056 /nfs/dbraw/zinc/12/80/56/1069128056.db2.gz HFGGBTFPCBQURV-NQIIRXRSSA-N 1 0 470.666 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Cn1nnc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711894 720168466 /nfs/dbraw/zinc/16/84/66/720168466.db2.gz DJALYZIUKNFVGA-OAHLLOKOSA-N 1 0 461.344 3.278 20 0 JGADRO Cn1nnc2c1CCN(c1ccc(-c3ccc(Cl)cc3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713499 720170964 /nfs/dbraw/zinc/17/09/64/720170964.db2.gz LNENQXACKVKHTQ-NRFANRHFSA-N 1 0 453.978 3.142 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712278 720171917 /nfs/dbraw/zinc/17/19/17/720171917.db2.gz DZXIGCZAQNJWQN-IBGZPJMESA-N 1 0 477.947 3.173 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)cc3c(Cl)ccnc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164716552 720180819 /nfs/dbraw/zinc/18/08/19/720180819.db2.gz HFUQWJOBDDDAEP-KRWDZBQOSA-N 1 0 462.385 3.281 20 0 JGADRO Cn1nnc2c1CCN(c1ccc(-c3ccccc3Cl)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715240 720189712 /nfs/dbraw/zinc/18/97/12/720189712.db2.gz KBMYAILIVLPSAZ-OAQYLSRUSA-N 1 0 453.978 3.142 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(N(C)Cc3ccc(OC)cc3)n1)C2 ZINC001164819199 720191521 /nfs/dbraw/zinc/19/15/21/720191521.db2.gz WLPVANXCMFGYIA-NVQXNPDNSA-N 1 0 451.615 3.306 20 0 JGADRO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164713787 720196910 /nfs/dbraw/zinc/19/69/10/720196910.db2.gz DPPXLNQUGFBDON-GBXCKJPGSA-N 1 0 490.656 3.353 20 0 JGADRO Cn1nnc2c1CCN(c1nccc(SCc3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716668 720202526 /nfs/dbraw/zinc/20/25/26/720202526.db2.gz RFXMWXDIKMXCAL-NRFANRHFSA-N 1 0 465.627 3.114 20 0 JGADRO Cn1nnc2c1CCN(c1cnc(Cl)nc1Oc1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719693 720204596 /nfs/dbraw/zinc/20/45/96/720204596.db2.gz SJXNVFBTGUVYHB-HXUWFJFHSA-N 1 0 469.977 3.267 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1ccn3Cc1ccccc1)CCC2 ZINC001164814800 720225097 /nfs/dbraw/zinc/22/50/97/720225097.db2.gz ZKFSLUOFCBNPFD-UHFFFAOYSA-N 1 0 457.582 3.287 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CCC2 ZINC001164814493 720233402 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467.570 3.371 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893589 721387671 /nfs/dbraw/zinc/38/76/71/721387671.db2.gz VPBUBQJPVKUYKX-KDOFPFPSSA-N 1 0 450.361 3.094 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)O2)CC1 ZINC001164893588 721387774 /nfs/dbraw/zinc/38/77/74/721387774.db2.gz VPBUBQJPVKUYKX-KBXCAEBGSA-N 1 0 450.361 3.094 20 0 JGADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)C3)O2)CC1 ZINC001164890027 721391485 /nfs/dbraw/zinc/39/14/85/721391485.db2.gz NFHJAQOINNZBFC-GCJKJVERSA-N 1 0 485.023 3.041 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C(=O)N5CCCCC5)cc(Cl)n4)C3)O2)CC1 ZINC001164889798 721392295 /nfs/dbraw/zinc/39/22/95/721392295.db2.gz MIRRTUSPGGNUQL-OFVILXPXSA-N 1 0 476.065 3.127 20 0 JGADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164892197 721395806 /nfs/dbraw/zinc/39/58/06/721395806.db2.gz SBORHFFKKCGHLU-KSSFIOAISA-N 1 0 450.361 3.094 20 0 JGADRO 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CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164905690 721578272 /nfs/dbraw/zinc/57/82/72/721578272.db2.gz VAZBFWOSHZZWBG-QHCPKHFHSA-N 1 0 469.630 3.320 20 0 JGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164803403 721578910 /nfs/dbraw/zinc/57/89/10/721578910.db2.gz HZAQTQCLKVDOGK-INNMJMHTSA-N 1 0 485.636 3.066 20 0 JGADRO Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(NC(=O)c2ccccc2)n1 ZINC001164801815 721586601 /nfs/dbraw/zinc/58/66/01/721586601.db2.gz FWVSUURYWIRZAJ-WPFOTENUSA-N 1 0 458.566 3.301 20 0 JGADRO COc1cccc(CN2C[C@H]3CCN(c4ncccc4C[NH+]4CCCC4)CC[C@@H]3S2(=O)=O)c1 ZINC001164805629 721592822 /nfs/dbraw/zinc/59/28/22/721592822.db2.gz LHVMFCCJGOHKFT-QPPBQGQZSA-N 1 0 470.639 3.117 20 0 JGADRO COc1cccc(CN2C[C@@H]3CCN(c4ncccc4C[NH+]4CCCC4)CC[C@@H]3S2(=O)=O)c1 ZINC001164805632 721592940 /nfs/dbraw/zinc/59/29/40/721592940.db2.gz LHVMFCCJGOHKFT-URXFXBBRSA-N 1 0 470.639 3.117 20 0 JGADRO COC(=O)c1cc2c(OC)[nH]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)cc-2n1 ZINC001164907449 721702332 /nfs/dbraw/zinc/70/23/32/721702332.db2.gz SYBKYRXRSJGXFL-HSZRJFAPSA-N 1 0 471.508 3.491 20 0 JGADRO O=C1NCc2c1c(N1CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C1)nc(Cl)c2F ZINC001164907276 721709452 /nfs/dbraw/zinc/70/94/52/721709452.db2.gz QIIGWGUZEBLCAA-FQEVSTJZSA-N 1 0 451.880 3.250 20 0 JGADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908064 721719435 /nfs/dbraw/zinc/71/94/35/721719435.db2.gz UYIMSWINIJFMOW-HSZRJFAPSA-N 1 0 470.524 3.278 20 0 JGADRO CCN(CC)S(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904912 721724021 /nfs/dbraw/zinc/72/40/21/721724021.db2.gz FMANUHSYFJEMFF-QFIPXVFZSA-N 1 0 479.597 3.245 20 0 JGADRO FC1(F)CCN(c2nc(Cl)cc(O[C@H]3CCOC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911736 721737301 /nfs/dbraw/zinc/73/73/01/721737301.db2.gz KAQWQRBKTHVOMW-LAUBAEHRSA-N 1 0 465.932 3.430 20 0 JGADRO CCOC(=O)[C@H]1CCc2nnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)cc2C1 ZINC001164913160 721737984 /nfs/dbraw/zinc/73/79/84/721737984.db2.gz UQKRCGPJRLXJSI-MHECFPHRSA-N 1 0 471.552 3.277 20 0 JGADRO CCNC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913871 721738657 /nfs/dbraw/zinc/73/86/57/721738657.db2.gz ZDHJNOMZNCTMNY-HXUWFJFHSA-N 1 0 450.921 3.012 20 0 JGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164913840 721738867 /nfs/dbraw/zinc/73/88/67/721738867.db2.gz YVACIPHJCJYXGT-OAQYLSRUSA-N 1 0 464.948 3.403 20 0 JGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2[C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001165012519 721746692 /nfs/dbraw/zinc/74/66/92/721746692.db2.gz KARXSMHUWRFGAI-JOCHJYFZSA-N 1 0 461.969 3.448 20 0 JGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)nc1 ZINC001165013760 721759973 /nfs/dbraw/zinc/75/99/73/721759973.db2.gz RZWOXSOHYADLPQ-QHCPKHFHSA-N 1 0 464.614 3.320 20 0 JGADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@]5(C4)COCCN(Cc4cccnc4)C5)ccc3C2)cc1 ZINC001164913332 721776971 /nfs/dbraw/zinc/77/69/71/721776971.db2.gz WWZSQYBHUVQMBN-GDLZYMKVSA-N 1 0 485.632 3.143 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(OC)cc2)nc1 ZINC001165027245 721796963 /nfs/dbraw/zinc/79/69/63/721796963.db2.gz UVRTXDXZEOLVLZ-SMIHKQSGSA-N 1 0 450.583 3.253 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)C[C@H]21 ZINC001165025890 721810646 /nfs/dbraw/zinc/81/06/46/721810646.db2.gz OCZKRNMYDBHWKN-OPJGWUQDSA-N 1 0 456.594 3.495 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@@H]21 ZINC001165021479 721823103 /nfs/dbraw/zinc/82/31/03/721823103.db2.gz FUFXNEWKZDYECF-ACIOBRDBSA-N 1 0 462.646 3.204 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C[C@@H]21 ZINC001165030157 721823822 /nfs/dbraw/zinc/82/38/22/721823822.db2.gz YBQVNARXBURQSO-NKKJXINNSA-N 1 0 469.655 3.388 20 0 JGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)C1 ZINC001165025164 721824734 /nfs/dbraw/zinc/82/47/34/721824734.db2.gz MCAWUFDSIKXTCT-XWVZOOPGSA-N 1 0 478.641 3.388 20 0 JGADRO CCOC(=O)c1cnc(SC)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165017535 721837577 /nfs/dbraw/zinc/83/75/77/721837577.db2.gz NYVALDQQRGBKFK-UHFFFAOYSA-N 1 0 460.600 3.493 20 0 JGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164923666 721870329 /nfs/dbraw/zinc/87/03/29/721870329.db2.gz JVWAEHIQSPVVOA-MSOLQXFVSA-N 1 0 451.999 3.080 20 0 JGADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)c(F)cc1C(=O)NCc1cccs1 ZINC001164923667 721870531 /nfs/dbraw/zinc/87/05/31/721870531.db2.gz JVWAEHIQSPVVOA-QZTJIDSGSA-N 1 0 451.999 3.080 20 0 JGADRO CCOC(=O)C[C@@H]1C(=O)NCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001165034892 721875377 /nfs/dbraw/zinc/87/53/77/721875377.db2.gz PTKJNKQCSPLFPS-OAQYLSRUSA-N 1 0 499.011 3.015 20 0 JGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC001164930883 721879057 /nfs/dbraw/zinc/87/90/57/721879057.db2.gz DGJXLXSJDAXKNK-XZOQPEGZSA-N 1 0 492.693 3.405 20 0 JGADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC001164930946 721888430 /nfs/dbraw/zinc/88/84/30/721888430.db2.gz DNVZFZAWCHOENK-OALUTQOASA-N 1 0 467.948 3.348 20 0 JGADRO COC(=O)C1CCN(c2ccc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)nn2)CC1 ZINC001164940598 721928418 /nfs/dbraw/zinc/92/84/18/721928418.db2.gz UQFCMCPUSDHJHH-UHFFFAOYSA-N 1 0 479.625 3.046 20 0 JGADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939606 721929707 /nfs/dbraw/zinc/92/97/07/721929707.db2.gz MZIJSPJSCATIFX-UHFFFAOYSA-N 1 0 463.582 3.325 20 0 JGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)N5CCCC5)cn4)CC3)C2)cc1 ZINC001164939447 721931389 /nfs/dbraw/zinc/93/13/89/721931389.db2.gz LKSRXWKTLGQCHB-UHFFFAOYSA-N 1 0 470.639 3.046 20 0 JGADRO COc1ccc(Cn2cc3[nH]c(N4CC[NH+](CCOc5ccccc5)CC4)ccc-3c2=O)cc1 ZINC001165045575 721958755 /nfs/dbraw/zinc/95/87/55/721958755.db2.gz ZJJCSOGYLZANLE-UHFFFAOYSA-N 1 0 458.562 3.447 20 0 JGADRO Cc1ccc(N(c2ncnc3c2CN(Cc2ccccc2)CC3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164962689 722025335 /nfs/dbraw/zinc/02/53/35/722025335.db2.gz QXFNEMGLNUWXQE-AJTFRIOCSA-N 1 0 471.609 3.183 20 0 JGADRO Cc1ccc(N(c2ncnc3c2CN(Cc2ccccc2)CC3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164962692 722025455 /nfs/dbraw/zinc/02/54/55/722025455.db2.gz QXFNEMGLNUWXQE-WXVAWEFUSA-N 1 0 471.609 3.183 20 0 JGADRO c1ccc(CN2CCc3c(ncnc3N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)C2)cc1 ZINC001164958797 722050960 /nfs/dbraw/zinc/05/09/60/722050960.db2.gz GKVQIIMUVUNTHI-NZJKTDFXSA-N 1 0 456.594 3.335 20 0 JGADRO c1ccc(CN2CCc3ncnc(N(c4ccccn4)[C@@H]4C[NH2+]C[C@H]5CCCO[C@H]54)c3C2)cc1 ZINC001164960464 722050997 /nfs/dbraw/zinc/05/09/97/722050997.db2.gz OKGKSTOTDFKJAI-YMVVMYQSSA-N 1 0 456.594 3.335 20 0 JGADRO c1ccc(CN2CCc3c(ncnc3N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)C2)cc1 ZINC001164958799 722051296 /nfs/dbraw/zinc/05/12/96/722051296.db2.gz GKVQIIMUVUNTHI-YMVVMYQSSA-N 1 0 456.594 3.335 20 0 JGADRO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1Cl ZINC001164961182 722052381 /nfs/dbraw/zinc/05/23/81/722052381.db2.gz UMLHZKJRGSKRPS-UHFFFAOYSA-N 1 0 495.958 3.366 20 0 JGADRO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963852 722055655 /nfs/dbraw/zinc/05/56/55/722055655.db2.gz OAJZAKFTCSZDDK-UHFFFAOYSA-N 1 0 461.566 3.321 20 0 JGADRO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164964575 722056039 /nfs/dbraw/zinc/05/60/39/722056039.db2.gz VTZZWSWYPXDQNB-UHFFFAOYSA-N 1 0 461.566 3.321 20 0 JGADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164963367 722060537 /nfs/dbraw/zinc/06/05/37/722060537.db2.gz XNBOFZDPACGKKW-UHFFFAOYSA-N 1 0 487.670 3.063 20 0 JGADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(C(=O)NC4CCC4)C[C@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164972140 722085282 /nfs/dbraw/zinc/08/52/82/722085282.db2.gz LEZVBKFEJLIQSF-GIVPXCGWSA-N 1 0 497.684 3.012 20 0 JGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C2)nc1 ZINC001164977672 722088534 /nfs/dbraw/zinc/08/85/34/722088534.db2.gz XMWWKNLGHRSIGP-NVQXNPDNSA-N 1 0 455.647 3.362 20 0 JGADRO CCOC(=O)c1sc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164983492 722099861 /nfs/dbraw/zinc/09/98/61/722099861.db2.gz QMDXMSCYGMIQJT-MOPGFXCFSA-N 1 0 467.595 3.299 20 0 JGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981639 722100028 /nfs/dbraw/zinc/10/00/28/722100028.db2.gz LUSSAUHRWQWPBW-IFMALSPDSA-N 1 0 486.576 3.182 20 0 JGADRO O=C(c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1)N1CCCCC1 ZINC001164980780 722105732 /nfs/dbraw/zinc/10/57/32/722105732.db2.gz KJRMVHCKWYVBPW-RBBKRZOGSA-N 1 0 470.017 3.483 20 0 JGADRO COc1cc2nc(Cl)c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164980494 722120456 /nfs/dbraw/zinc/12/04/56/722120456.db2.gz RIVKTACOWVBEAT-VGSWGCGISA-N 1 0 469.973 3.423 20 0 JGADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979018 722124583 /nfs/dbraw/zinc/12/45/83/722124583.db2.gz ORWGDNFLWFIZHD-JKSUJKDBSA-N 1 0 466.369 3.082 20 0 JGADRO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981972 722127011 /nfs/dbraw/zinc/12/70/11/722127011.db2.gz VLCAXKZHIJHRKY-AEFFLSMTSA-N 1 0 460.916 3.345 20 0 JGADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974396 722132674 /nfs/dbraw/zinc/13/26/74/722132674.db2.gz DQJRLEVLJUHMLU-RCZVLFRGSA-N 1 0 474.609 3.138 20 0 JGADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983816 722146426 /nfs/dbraw/zinc/14/64/26/722146426.db2.gz VJPXHQKCMRKGSP-FVJLSDCUSA-N 1 0 471.911 3.058 20 0 JGADRO COc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c(OC)c1OC ZINC001164977977 722151301 /nfs/dbraw/zinc/15/13/01/722151301.db2.gz JAHYPWFHBUCGSE-RDPSFJRHSA-N 1 0 491.592 3.292 20 0 JGADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972450 722153442 /nfs/dbraw/zinc/15/34/42/722153442.db2.gz HVPGDTJXFDXWOA-HKUYNNGSSA-N 1 0 481.931 3.494 20 0 JGADRO Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC[C@@H]32)cs1 ZINC001164984466 722178933 /nfs/dbraw/zinc/17/89/33/722178933.db2.gz DZSIVGSEZSTVKS-PMACEKPBSA-N 1 0 463.051 3.232 20 0 JGADRO COC(=O)C1CCN(c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164997224 722203314 /nfs/dbraw/zinc/20/33/14/722203314.db2.gz XILBWIJFPZFXIP-RUZDIDTESA-N 1 0 453.562 3.250 20 0 JGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1 ZINC001164999427 722218851 /nfs/dbraw/zinc/21/88/51/722218851.db2.gz QTYHMIAOGVVKMR-OZXSUGGESA-N 1 0 462.598 3.455 20 0 JGADRO C[NH+]1CCN(c2cccc(N3CCC4(C=C(C(=O)NCC5CC5)c5ccccc54)CC3)n2)CC1 ZINC001164996853 722220781 /nfs/dbraw/zinc/22/07/81/722220781.db2.gz ATAVCFXJLRYHPX-UHFFFAOYSA-N 1 0 457.622 3.295 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165003127 722241654 /nfs/dbraw/zinc/24/16/54/722241654.db2.gz IIEUEXJZVSCYQB-NZQKXSOJSA-N 1 0 474.613 3.072 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CCC2 ZINC001165002544 722255613 /nfs/dbraw/zinc/25/56/13/722255613.db2.gz POILIMKRDAFZQC-UHFFFAOYSA-N 1 0 458.566 3.410 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3C)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305794162 1069311363 /nfs/dbraw/zinc/31/13/63/1069311363.db2.gz INYNCJPEWMYCNA-OFNKIYASSA-N 1 0 468.646 3.425 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC[NH+]1CCCCCC1 ZINC001305794212 1069311908 /nfs/dbraw/zinc/31/19/08/1069311908.db2.gz JIKRBMOETWDBIK-OAQYLSRUSA-N 1 0 458.607 3.243 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1C[C@@H](C)[NH+](C)C ZINC001305795075 1069313603 /nfs/dbraw/zinc/31/36/03/1069313603.db2.gz NOBDTFAMYWSTEH-FOIQADDNSA-N 1 0 464.561 3.003 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001305797447 1069318562 /nfs/dbraw/zinc/31/85/62/1069318562.db2.gz DPAJFEPHARJBRW-OIBXWCBGSA-N 1 0 498.672 3.249 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001305797644 1069318820 /nfs/dbraw/zinc/31/88/20/1069318820.db2.gz FOWREOHFKWOQNA-TYCQWZJGSA-N 1 0 460.598 3.302 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCCC1 ZINC001305798275 1069319593 /nfs/dbraw/zinc/31/95/93/1069319593.db2.gz MLIPKHXRNBDONW-FQEVSTJZSA-N 1 0 491.681 3.176 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001305801322 1069323702 /nfs/dbraw/zinc/32/37/02/1069323702.db2.gz SANIJQRKDIAQEA-HLAWJBBLSA-N 1 0 460.667 3.322 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305801240 1069323773 /nfs/dbraw/zinc/32/37/73/1069323773.db2.gz QGNDMLKBCZWXHD-GSEOLPGOSA-N 1 0 474.675 3.422 20 0 JGADRO CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)c1nccs1)[NH+]1CCCC1 ZINC001305804738 1069330629 /nfs/dbraw/zinc/33/06/29/1069330629.db2.gz ITEOGTDDEXSEDW-MSOLQXFVSA-N 1 0 468.631 3.496 20 0 JGADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1)[NH+]1CCCC1 ZINC001305805197 1069331391 /nfs/dbraw/zinc/33/13/91/1069331391.db2.gz XFPZNPNEGMBAKE-YMPZKCBVSA-N 1 0 484.645 3.262 20 0 JGADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1)[NH+]1CCCC1 ZINC001305805195 1069331584 /nfs/dbraw/zinc/33/15/84/1069331584.db2.gz XFPZNPNEGMBAKE-WWNPGLIZSA-N 1 0 484.645 3.262 20 0 JGADRO CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)OC ZINC001305805388 1069332383 /nfs/dbraw/zinc/33/23/83/1069332383.db2.gz BFOWOXMMJLHLRH-VQTJNVASSA-N 1 0 452.603 3.384 20 0 JGADRO CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(OC)cc1)[NH+]1CCCC1 ZINC001305805495 1069332736 /nfs/dbraw/zinc/33/27/36/1069332736.db2.gz LHAKJDLSZVWIPR-HXUWFJFHSA-N 1 0 463.586 3.445 20 0 JGADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305805957 1069333187 /nfs/dbraw/zinc/33/31/87/1069333187.db2.gz ZRVHKMDWJPEORQ-LADGPHEKSA-N 1 0 497.688 3.179 20 0 JGADRO CC[C@H](Cn1c(C)nnc1N1CCN(C(=O)N(CC)CC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001305807500 1069336053 /nfs/dbraw/zinc/33/60/53/1069336053.db2.gz JEGYVANHEWZZBE-HSZRJFAPSA-N 1 0 453.635 3.007 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCOC1)[NH+]1CCCC1 ZINC001305809299 1069338562 /nfs/dbraw/zinc/33/85/62/1069338562.db2.gz HVCPIMGHUMTMKC-AEFFLSMTSA-N 1 0 465.440 3.393 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001305811594 1069341759 /nfs/dbraw/zinc/34/17/59/1069341759.db2.gz SZDZAEJOTQLAED-HMXCVIKNSA-N 1 0 493.649 3.445 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OCC(C)C)C1)[NH+]1CCCC1 ZINC001305814481 1069346535 /nfs/dbraw/zinc/34/65/35/1069346535.db2.gz IDBRZQKJTYJEBY-FCHUYYIVSA-N 1 0 489.686 3.474 20 0 JGADRO CC[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(CC)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001305812376 1069342864 /nfs/dbraw/zinc/34/28/64/1069342864.db2.gz AEIKVWPLWXXDNE-IBGZPJMESA-N 1 0 459.616 3.437 20 0 JGADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCOC1)[NH+]1CCCC1 ZINC001305812966 1069343403 /nfs/dbraw/zinc/34/34/03/1069343403.db2.gz WOKFCAXBTCHNLL-NVXWUHKLSA-N 1 0 451.413 3.383 20 0 JGADRO CC[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001305814466 1069346605 /nfs/dbraw/zinc/34/66/05/1069346605.db2.gz IAXOEZOMHBEGIL-IEBWSBKVSA-N 1 0 459.616 3.435 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](OCC(C)C)C1)[NH+]1CCCC1 ZINC001305814484 1069346324 /nfs/dbraw/zinc/34/63/24/1069346324.db2.gz IDBRZQKJTYJEBY-VXKWHMMOSA-N 1 0 489.686 3.474 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCN1CCOCC1)[NH+]1CCCC1 ZINC001305813926 1069344583 /nfs/dbraw/zinc/34/45/83/1069344583.db2.gz JYQZOMVPFPHYQL-OAQYLSRUSA-N 1 0 491.478 3.350 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC001305814756 1069346773 /nfs/dbraw/zinc/34/67/73/1069346773.db2.gz IZSUYJSUNSHSID-IBGZPJMESA-N 1 0 478.588 3.224 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)COC)CC1)[NH+]1CCCC1 ZINC001305815217 1069347976 /nfs/dbraw/zinc/34/79/76/1069347976.db2.gz KDPOLTFHQPHENO-NRFANRHFSA-N 1 0 475.037 3.204 20 0 JGADRO CC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001305818392 1069353056 /nfs/dbraw/zinc/35/30/56/1069353056.db2.gz AYCXBDWPLIIZFB-LEWJYISDSA-N 1 0 453.635 3.346 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001305819260 1069354561 /nfs/dbraw/zinc/35/45/61/1069354561.db2.gz SKKFEMDIIYRMCS-NRFANRHFSA-N 1 0 454.619 3.181 20 0 JGADRO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001305820205 1069355688 /nfs/dbraw/zinc/35/56/88/1069355688.db2.gz PHFRUQPOLPAIFJ-NQIIRXRSSA-N 1 0 483.642 3.059 20 0 JGADRO CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001305822723 1069358951 /nfs/dbraw/zinc/35/89/51/1069358951.db2.gz YXEFIELWBQDSGY-MOPGFXCFSA-N 1 0 457.623 3.261 20 0 JGADRO CC[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001305825583 1069364211 /nfs/dbraw/zinc/36/42/11/1069364211.db2.gz YBZCQMQUBJRRAW-NHCUHLMSSA-N 1 0 454.619 3.181 20 0 JGADRO CC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001305825585 1069364297 /nfs/dbraw/zinc/36/42/97/1069364297.db2.gz YBZCQMQUBJRRAW-RTWAWAEBSA-N 1 0 454.619 3.181 20 0 JGADRO CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NC(C)C)CC1)[NH+]1CCCC1 ZINC001305825748 1069364634 /nfs/dbraw/zinc/36/46/34/1069364634.db2.gz ZSNGGFIUTSUSDZ-HXUWFJFHSA-N 1 0 488.080 3.120 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001305825922 1069364786 /nfs/dbraw/zinc/36/47/86/1069364786.db2.gz CPTIAXWXWABCCH-TZIWHRDSSA-N 1 0 497.669 3.368 20 0 JGADRO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001305833321 1069374576 /nfs/dbraw/zinc/37/45/76/1069374576.db2.gz IVNQVVCOJSQKRA-QHAWAJNXSA-N 1 0 476.666 3.492 20 0 JGADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)[NH+]1CCCC1 ZINC001305833370 1069374699 /nfs/dbraw/zinc/37/46/99/1069374699.db2.gz CWMXPNXZVLTZAP-QFIPXVFZSA-N 1 0 452.647 3.375 20 0 JGADRO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC([NH2+]C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001305830742 1069371735 /nfs/dbraw/zinc/37/17/35/1069371735.db2.gz BRPIKJUSTSIOEZ-RBUKOAKNSA-N 1 0 464.655 3.442 20 0 JGADRO CC[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1)[NH+]1CCCC1 ZINC001305836204 1069378324 /nfs/dbraw/zinc/37/83/24/1069378324.db2.gz UPDWTFAKVBNLQW-VQTJNVASSA-N 1 0 462.639 3.104 20 0 JGADRO CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1)[NH+]1CCCC1 ZINC001305836355 1069378790 /nfs/dbraw/zinc/37/87/90/1069378790.db2.gz UZYAATBBNVEQOI-NHCUHLMSSA-N 1 0 462.639 3.309 20 0 JGADRO CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305837359 1069380509 /nfs/dbraw/zinc/38/05/09/1069380509.db2.gz SNUCQDOARMMCBW-PMACEKPBSA-N 1 0 476.666 3.492 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1)[NH+]1CCCC1 ZINC001305840394 1069387269 /nfs/dbraw/zinc/38/72/69/1069387269.db2.gz HMVBETPTAGTRLG-QFIPXVFZSA-N 1 0 473.687 3.455 20 0 JGADRO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305842545 1069391508 /nfs/dbraw/zinc/39/15/08/1069391508.db2.gz BVNKXHLGICJTGF-NJYVYQBISA-N 1 0 486.665 3.116 20 0 JGADRO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001305844311 1069393939 /nfs/dbraw/zinc/39/39/39/1069393939.db2.gz XXANIFDYTQWZSE-OAQYLSRUSA-N 1 0 471.650 3.488 20 0 JGADRO CC[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CCC(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC001305844857 1069394388 /nfs/dbraw/zinc/39/43/88/1069394388.db2.gz RMZJZMWSNPZUMM-JOCHJYFZSA-N 1 0 466.655 3.340 20 0 JGADRO CC[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@@H](C)[C@@H]1C)OC ZINC001305848238 1069398743 /nfs/dbraw/zinc/39/87/43/1069398743.db2.gz XAMVNUOWQWKZMB-QNWVGRARSA-N 1 0 472.703 3.398 20 0 JGADRO CC[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC001305862044 1069419040 /nfs/dbraw/zinc/41/90/40/1069419040.db2.gz NBQOFKZDNWKFLJ-AREMUKBSSA-N 1 0 468.646 3.048 20 0 JGADRO CC[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001305871303 1069425647 /nfs/dbraw/zinc/42/56/47/1069425647.db2.gz WQQPUJDXCZRIBB-CLOONOSVSA-N 1 0 457.619 3.436 20 0 JGADRO CC[C@]1(C)CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)CCCOC)C1 ZINC001305874500 1069428257 /nfs/dbraw/zinc/42/82/57/1069428257.db2.gz MIAAJPZDNKXZDD-NBGIEHNGSA-N 1 0 494.681 3.181 20 0 JGADRO CC[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001305876916 1069430703 /nfs/dbraw/zinc/43/07/03/1069430703.db2.gz WCRRQAYMZNNWNQ-NZQKXSOJSA-N 1 0 451.681 3.463 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC001305880409 1069433227 /nfs/dbraw/zinc/43/32/27/1069433227.db2.gz PNNQVRHYUPORJJ-MBSDFSHPSA-N 1 0 460.648 3.320 20 0 JGADRO CC[C@@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001305882392 1069435791 /nfs/dbraw/zinc/43/57/91/1069435791.db2.gz ASYORKIHQZRZPT-VGSWGCGISA-N 1 0 495.466 3.020 20 0 JGADRO CC[C@]1(C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001305883046 1069436216 /nfs/dbraw/zinc/43/62/16/1069436216.db2.gz CZPALBGZEOGZQR-NHCUHLMSSA-N 1 0 497.507 3.489 20 0 JGADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001305883002 1069436434 /nfs/dbraw/zinc/43/64/34/1069436434.db2.gz QAJGEELSDQZZCV-KHCICDEESA-N 1 0 455.607 3.051 20 0 JGADRO 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CN(CCN1CCOCC1)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001298739084 1064554555 /nfs/dbraw/zinc/55/45/55/1064554555.db2.gz XZHQGVYPFPVKNG-FQEVSTJZSA-N 1 0 460.673 3.063 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298748379 1064560141 /nfs/dbraw/zinc/56/01/41/1064560141.db2.gz PLLBZKFEWZKMOB-UHFFFAOYSA-N 1 0 496.498 3.313 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001298749620 1064560532 /nfs/dbraw/zinc/56/05/32/1064560532.db2.gz DMOKISQTKNUREC-QFIPXVFZSA-N 1 0 465.646 3.495 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC[NH+]1CCCCC1 ZINC001298749665 1064560714 /nfs/dbraw/zinc/56/07/14/1064560714.db2.gz GNELHYXRYDGPJQ-UHFFFAOYSA-N 1 0 453.591 3.331 20 0 JGADRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001298750664 1064561765 /nfs/dbraw/zinc/56/17/65/1064561765.db2.gz BALAXIBPFKLCBP-HNNXBMFYSA-N 1 0 454.752 3.476 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001298753732 1064563487 /nfs/dbraw/zinc/56/34/87/1064563487.db2.gz UOINGHMQIPALFL-GOTSBHOMSA-N 1 0 471.646 3.038 20 0 JGADRO CN(CCOc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001298765150 1064573361 /nfs/dbraw/zinc/57/33/61/1064573361.db2.gz LORNYKKUHJMKHF-UHFFFAOYSA-N 1 0 472.609 3.290 20 0 JGADRO CN(CCOc1ccccc1Cl)c1nnc(CN2CCCC2=O)n1CC1([NH+](C)C)CCCC1 ZINC001298765486 1064573886 /nfs/dbraw/zinc/57/38/86/1064573886.db2.gz PFLNDICOANYSJX-UHFFFAOYSA-N 1 0 475.037 3.444 20 0 JGADRO CN(CCOc1ccccc1Cl)c1nnc([C@H]2CCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298767077 1064575043 /nfs/dbraw/zinc/57/50/43/1064575043.db2.gz ZEYLFTAEFRIOMM-OAQYLSRUSA-N 1 0 477.053 3.324 20 0 JGADRO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001298775479 1064580326 /nfs/dbraw/zinc/58/03/26/1064580326.db2.gz JDJIEVVWFKQMNK-GOSISDBHSA-N 1 0 472.030 3.339 20 0 JGADRO CN(CCS(C)(=O)=O)c1nnc(-c2ccccc2F)n1CCC[N@H+](C)C1CCCCC1 ZINC001298776398 1064582328 /nfs/dbraw/zinc/58/23/28/1064582328.db2.gz MYHUXDJLTOVOPF-UHFFFAOYSA-N 1 0 451.612 3.220 20 0 JGADRO CN(CCS(C)(=O)=O)c1nnc(COc2ccc(Cl)cc2Cl)n1CC1([NH+](C)C)CCC1 ZINC001298781381 1064584897 /nfs/dbraw/zinc/58/48/97/1064584897.db2.gz BZFPQPQQBULVTB-UHFFFAOYSA-N 1 0 490.457 3.129 20 0 JGADRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2ccccn2)n1CCCOC(F)F ZINC001298781682 1064585268 /nfs/dbraw/zinc/58/52/68/1064585268.db2.gz GDQGCZZNSRNEFR-FXAWDEMLSA-N 1 0 474.560 3.222 20 0 JGADRO CN(C[C@H]1CCCO1)c1nnc(Cc2c(F)cccc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298787306 1064589844 /nfs/dbraw/zinc/58/98/44/1064589844.db2.gz NCHCCGVHNLKTDL-OPAMFIHVSA-N 1 0 451.587 3.200 20 0 JGADRO CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCC1 ZINC001298789394 1064590217 /nfs/dbraw/zinc/59/02/17/1064590217.db2.gz ATVQTEAHOQOEPY-MOPGFXCFSA-N 1 0 462.639 3.450 20 0 JGADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1COCCO1 ZINC001298800533 1064597723 /nfs/dbraw/zinc/59/77/23/1064597723.db2.gz ATENHBWIAKZQHX-SFHVURJKSA-N 1 0 495.466 3.020 20 0 JGADRO Cn1cc(-c2nnc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2CCOCC(F)F)cn1 ZINC001298813107 1064616017 /nfs/dbraw/zinc/61/60/17/1064616017.db2.gz ULLYMMQRTBVGSA-SFHVURJKSA-N 1 0 451.566 3.053 20 0 JGADRO COC(=O)CC[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)O1 ZINC001298822449 1064623685 /nfs/dbraw/zinc/62/36/85/1064623685.db2.gz ZFHXHGOWOYAVKM-AZUAARDMSA-N 1 0 467.404 3.373 20 0 JGADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)(C)C)CC2)cn1 ZINC001298828786 1064633820 /nfs/dbraw/zinc/63/38/20/1064633820.db2.gz WTCYDGXZEIXAMW-UHFFFAOYSA-N 1 0 473.025 3.254 20 0 JGADRO Cn1cc(C[N@@H+]2CCCN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3ccc(F)cc3)CC2)cn1 ZINC001298828823 1064633852 /nfs/dbraw/zinc/63/38/52/1064633852.db2.gz XKOMMZLPCBIGRV-SANMLTNESA-N 1 0 483.636 3.359 20 0 JGADRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC001298846872 1064650560 /nfs/dbraw/zinc/65/05/60/1064650560.db2.gz QFZCILFBLYWYMN-JYFHCDHNSA-N 1 0 450.583 3.411 20 0 JGADRO Cn1cccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCC[NH+]1CCCCC1 ZINC001298857335 1064660474 /nfs/dbraw/zinc/66/04/74/1064660474.db2.gz MMYYCTFPTSYEDW-HXUWFJFHSA-N 1 0 455.651 3.291 20 0 JGADRO CN(Cc1cc(Br)cs1)c1nnc(-c2ccccc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298879274 1064683987 /nfs/dbraw/zinc/68/39/87/1064683987.db2.gz OKCCYLIRDVHLDZ-FQEVSTJZSA-N 1 0 462.417 3.472 20 0 JGADRO CN(CCCc1ccccn1)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298879756 1064684909 /nfs/dbraw/zinc/68/49/09/1064684909.db2.gz QRRLIICQWCFSKC-HSZRJFAPSA-N 1 0 485.430 3.238 20 0 JGADRO CN(c1nnc(-c2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1)[C@H](CF)c1ccc(Br)cc1 ZINC001298881057 1064686732 /nfs/dbraw/zinc/68/67/32/1064686732.db2.gz ZOCIQAKTWLVZDV-DENIHFKCSA-N 1 0 489.393 3.316 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298880939 1064686881 /nfs/dbraw/zinc/68/68/81/1064686881.db2.gz YEAFKVDPAMCNBD-YADARESESA-N 1 0 491.036 3.159 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001298881773 1064688589 /nfs/dbraw/zinc/68/85/89/1064688589.db2.gz KHQQFADAKNUJJO-GJZUVCINSA-N 1 0 455.647 3.304 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001298881895 1064688663 /nfs/dbraw/zinc/68/86/63/1064688663.db2.gz MSTDTAYLYNPSHI-GBXCKJPGSA-N 1 0 462.038 3.373 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001298885092 1064691142 /nfs/dbraw/zinc/69/11/42/1064691142.db2.gz GHMOFPDQFLMRNX-SFHVURJKSA-N 1 0 481.066 3.127 20 0 JGADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001298886724 1064694864 /nfs/dbraw/zinc/69/48/64/1064694864.db2.gz RQCABTLSAMNVBD-BZLDKRAPSA-N 1 0 459.557 3.042 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001298886725 1064695027 /nfs/dbraw/zinc/69/50/27/1064695027.db2.gz RQCABTLSAMNVBD-LHUKNYEISA-N 1 0 459.557 3.042 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001298886749 1064695066 /nfs/dbraw/zinc/69/50/66/1064695066.db2.gz SFJIBIFMMNMQJN-AVRDEDQJSA-N 1 0 451.974 3.013 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)nnc2C(C)(C)C)C1 ZINC001298886750 1064695996 /nfs/dbraw/zinc/69/59/96/1064695996.db2.gz SFJIBIFMMNMQJN-GCJKJVERSA-N 1 0 451.974 3.013 20 0 JGADRO C[N@@H+]1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC001298895704 1064702747 /nfs/dbraw/zinc/70/27/47/1064702747.db2.gz CRWHQKBCGOVHQH-IBGZPJMESA-N 1 0 476.069 3.271 20 0 JGADRO Cn1nncc1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001298912612 1064713521 /nfs/dbraw/zinc/71/35/21/1064713521.db2.gz ZOZMQOJEZCYTFE-UHFFFAOYSA-N 1 0 473.423 3.195 20 0 JGADRO CNC(=O)C(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001298915155 1064714696 /nfs/dbraw/zinc/71/46/96/1064714696.db2.gz ILKZWQKWRZLVKB-KRWDZBQOSA-N 1 0 458.582 3.004 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001298921367 1064722231 /nfs/dbraw/zinc/72/22/31/1064722231.db2.gz KKKOYTVSFANGJB-KRWDZBQOSA-N 1 0 461.010 3.054 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001298922652 1064723133 /nfs/dbraw/zinc/72/31/33/1064723133.db2.gz WCFTYOJVXRMZTG-UHFFFAOYSA-N 1 0 481.016 3.057 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001298944825 1064737841 /nfs/dbraw/zinc/73/78/41/1064737841.db2.gz UOKFWNGOIJAATP-HXUWFJFHSA-N 1 0 454.619 3.002 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC[NH+]1CCCCC1 ZINC001298966046 1064754956 /nfs/dbraw/zinc/75/49/56/1064754956.db2.gz KIYWQLVLYMDVOF-MRXNPFEDSA-N 1 0 493.450 3.020 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001298967013 1064756832 /nfs/dbraw/zinc/75/68/32/1064756832.db2.gz OYKAFAXNIOUASX-MSOLQXFVSA-N 1 0 462.042 3.180 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc3cccnc32)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298968769 1064759373 /nfs/dbraw/zinc/75/93/73/1064759373.db2.gz CPUYWLGGFZZZOS-LJQANCHMSA-N 1 0 463.630 3.434 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001298971858 1064762512 /nfs/dbraw/zinc/76/25/12/1064762512.db2.gz VKDWJUIEWATODW-IRXDYDNUSA-N 1 0 477.451 3.258 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001298972533 1064763081 /nfs/dbraw/zinc/76/30/81/1064763081.db2.gz OYESGGOGBCNECB-NHCUHLMSSA-N 1 0 492.672 3.460 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001298974404 1064764209 /nfs/dbraw/zinc/76/42/09/1064764209.db2.gz WACWNXMIEUQSBV-JXFKEZNVSA-N 1 0 455.994 3.115 20 0 JGADRO 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COC1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001299774523 1064975593 /nfs/dbraw/zinc/97/55/93/1064975593.db2.gz FCTYUDRGDXXUEV-FGZHOGPDSA-N 1 0 498.672 3.203 20 0 JGADRO COC1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001299786054 1064982922 /nfs/dbraw/zinc/98/29/22/1064982922.db2.gz MMCCACJXRODKTI-UHFFFAOYSA-N 1 0 471.646 3.491 20 0 JGADRO COC1(C)CN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001299785441 1064983109 /nfs/dbraw/zinc/98/31/09/1064983109.db2.gz IBONWJVVGDZQLU-NRFANRHFSA-N 1 0 457.619 3.200 20 0 JGADRO COC1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001299786809 1064984034 /nfs/dbraw/zinc/98/40/34/1064984034.db2.gz UUQHCXUGOPXWMZ-QZTJIDSGSA-N 1 0 464.010 3.235 20 0 JGADRO C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)C[C@H](C)O1 ZINC001299820335 1065014032 /nfs/dbraw/zinc/01/40/32/1065014032.db2.gz FHIFVKBPOLYWBF-GJJHYRHESA-N 1 0 457.644 3.180 20 0 JGADRO COc1cc(C)ccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001299833457 1065025003 /nfs/dbraw/zinc/02/50/03/1065025003.db2.gz AQWOPAKYVQYXSM-JOCHJYFZSA-N 1 0 489.686 3.102 20 0 JGADRO COc1cc(C)nc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC001299834023 1065025402 /nfs/dbraw/zinc/02/54/02/1065025402.db2.gz ILJNVEYPFWIXAF-IBGZPJMESA-N 1 0 470.666 3.130 20 0 JGADRO COc1cc(-c2nnc(N(C)Cc3cnccn3)n2CC[N@H+]2CC=CCC2)ccc1OC(C)C ZINC001299840326 1065033854 /nfs/dbraw/zinc/03/38/54/1065033854.db2.gz LBMUFXRFINZLKX-UHFFFAOYSA-N 1 0 463.586 3.429 20 0 JGADRO COc1cc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCC(O)CC2)ccc1OC(C)C ZINC001299842936 1065039991 /nfs/dbraw/zinc/03/99/91/1065039991.db2.gz FQFJGJUYBZUCIB-PMACEKPBSA-N 1 0 487.645 3.201 20 0 JGADRO COc1cc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC001299844052 1065042384 /nfs/dbraw/zinc/04/23/84/1065042384.db2.gz ISGJJTBAOHDFCX-KDURUIRLSA-N 1 0 486.661 3.089 20 0 JGADRO COc1cc(-c2nnc(N3CC(C)(OC)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc(OC)c1OC ZINC001299844294 1065042956 /nfs/dbraw/zinc/04/29/56/1065042956.db2.gz KDPFRAARYYDDND-QGZVFWFLSA-N 1 0 471.558 3.092 20 0 JGADRO COc1cc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)ccc1OC(C)C ZINC001299844600 1065043376 /nfs/dbraw/zinc/04/33/76/1065043376.db2.gz NXXUVNGSVLFDJY-CTNGQTDRSA-N 1 0 486.661 3.384 20 0 JGADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)CC1)C(C)C ZINC001299847330 1065048537 /nfs/dbraw/zinc/04/85/37/1065048537.db2.gz XAQPROMUCDJCOU-QHCPKHFHSA-N 1 0 453.631 3.405 20 0 JGADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)CC1)C(C)C ZINC001299847329 1065048738 /nfs/dbraw/zinc/04/87/38/1065048738.db2.gz XAQPROMUCDJCOU-HSZRJFAPSA-N 1 0 453.631 3.405 20 0 JGADRO COc1cc(-c2nnc(N3CCC[C@@H](OC)C3)n2C[C@@H](C)C[NH+]2CCOCC2)ccc1OC(C)C ZINC001299850299 1065053891 /nfs/dbraw/zinc/05/38/91/1065053891.db2.gz FLOYVOOBOJHCNT-RBBKRZOGSA-N 1 0 487.645 3.324 20 0 JGADRO COc1cc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2C[C@@](C)(O)C(C)C)cc(OC)c1OC ZINC001299851014 1065055684 /nfs/dbraw/zinc/05/56/84/1065055684.db2.gz NLMYDZQPJKFBPE-FQRUVTKNSA-N 1 0 487.645 3.443 20 0 JGADRO COc1cc(-c2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2C[C@@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299853489 1065060398 /nfs/dbraw/zinc/06/03/98/1065060398.db2.gz RRKXCOJDDXGEPB-UYAOXDASSA-N 1 0 484.645 3.186 20 0 JGADRO COc1cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2nccs2)cc(OC)c1OC ZINC001299854854 1065063022 /nfs/dbraw/zinc/06/30/22/1065063022.db2.gz OHSLDQBKTMHCKV-UHFFFAOYSA-N 1 0 472.615 3.396 20 0 JGADRO COc1cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2cc(C)no2)cc(OC)c1OC ZINC001299855762 1065064405 /nfs/dbraw/zinc/06/44/05/1065064405.db2.gz XKBQVYNXWXYREU-UHFFFAOYSA-N 1 0 470.574 3.236 20 0 JGADRO COc1cc(-c2nnc(N3CCOC(C)(C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc(OC)c1OC ZINC001299856585 1065064893 /nfs/dbraw/zinc/06/48/93/1065064893.db2.gz BAYQSASJMLYPGK-DEOSSOPVSA-N 1 0 491.658 3.023 20 0 JGADRO COc1cc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C(C)C)cc(OC)c1OC ZINC001299856901 1065065492 /nfs/dbraw/zinc/06/54/92/1065065492.db2.gz HPMOBMRVFUVZMR-SFHVURJKSA-N 1 0 487.523 3.079 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)ccc1OC(C)C ZINC001299858225 1065070148 /nfs/dbraw/zinc/07/01/48/1065070148.db2.gz MSUNMIAYTZGJET-AREMUKBSSA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCCC(=O)N(C)C)ccc1OC(C)C ZINC001299858688 1065071025 /nfs/dbraw/zinc/07/10/25/1065071025.db2.gz RWWLZPVFMNRWOO-UHFFFAOYSA-N 1 0 484.645 3.284 20 0 JGADRO COc1cc(-c2nnc(N3CCOCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OC(C)C ZINC001299859558 1065072644 /nfs/dbraw/zinc/07/26/44/1065072644.db2.gz FXMBFMSNFAVOBI-WOJBJXKFSA-N 1 0 487.645 3.465 20 0 JGADRO COc1cc(-c2nnc(N3CCOC[C@H]3C)n2CCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC001299859626 1065073114 /nfs/dbraw/zinc/07/31/14/1065073114.db2.gz GTPSHGKZOVOBLU-RBUKOAKNSA-N 1 0 473.618 3.461 20 0 JGADRO COc1cc(-c2nnc(N3C[C@H]4OCO[C@H]4C3)n2CCC[N@H+](C)C(C)C)ccc1OC(C)C ZINC001299862990 1065080264 /nfs/dbraw/zinc/08/02/64/1065080264.db2.gz GHIANTNNKLDAFE-SZPZYZBQSA-N 1 0 459.591 3.033 20 0 JGADRO COc1cc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[N@@H+](C(C)C)CC2)ccc1Cl ZINC001299866097 1065083932 /nfs/dbraw/zinc/08/39/32/1065083932.db2.gz NJZATBKKWIFHRU-LJQANCHMSA-N 1 0 461.010 3.054 20 0 JGADRO COc1cc(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[NH+](CC(C)C)CC2)ccc1C ZINC001299867283 1065085407 /nfs/dbraw/zinc/08/54/07/1065085407.db2.gz NAJWWUGFJNRPEK-UHFFFAOYSA-N 1 0 465.646 3.477 20 0 JGADRO COc1cc(CN(C)c2nnc(C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1OC(F)F ZINC001299871483 1065090212 /nfs/dbraw/zinc/09/02/12/1065090212.db2.gz KIGQWCPDZNDVPC-SFHVURJKSA-N 1 0 453.534 3.190 20 0 JGADRO COc1cc(CN2CCN(c3nnc(-c4ccc(C)o4)n3C[C@H](C)[NH+](C)C)CC2)cc(OC)c1 ZINC001299892761 1065121242 /nfs/dbraw/zinc/12/12/42/1065121242.db2.gz LSMFNXZGWAJNGS-SFHVURJKSA-N 1 0 468.602 3.136 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N(C)Cc2cnn(C)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001299894615 1065125253 /nfs/dbraw/zinc/12/52/53/1065125253.db2.gz OSQDYAQEIWYCSN-GOSISDBHSA-N 1 0 488.036 3.478 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001299895661 1065127862 /nfs/dbraw/zinc/12/78/62/1065127862.db2.gz SRMMGPCNLPMZGV-SFHVURJKSA-N 1 0 496.077 3.495 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCNC(=O)C(C)C ZINC001299899509 1065134569 /nfs/dbraw/zinc/13/45/69/1065134569.db2.gz ACUHTZBDXNAMKJ-PKOBYXMFSA-N 1 0 475.037 3.442 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCNC(=O)C(C)C ZINC001299899506 1065134674 /nfs/dbraw/zinc/13/46/74/1065134674.db2.gz ACUHTZBDXNAMKJ-HKUYNNGSSA-N 1 0 475.037 3.442 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC[NH+]1CCCCC1 ZINC001299906272 1065147569 /nfs/dbraw/zinc/14/75/69/1065147569.db2.gz NEZQRMKIJZSQLT-IBGZPJMESA-N 1 0 461.010 3.198 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001299907865 1065150569 /nfs/dbraw/zinc/15/05/69/1065150569.db2.gz NBUHMWIWBPRMCH-UHFFFAOYSA-N 1 0 484.004 3.070 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001299909043 1065155024 /nfs/dbraw/zinc/15/50/24/1065155024.db2.gz LRMOYAMXWROVTO-SFHVURJKSA-N 1 0 475.037 3.396 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(C)C(=O)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001299909154 1065155767 /nfs/dbraw/zinc/15/57/67/1065155767.db2.gz OUAVOCXZMGJSTE-KRWDZBQOSA-N 1 0 461.010 3.006 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(C)C(=O)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001299909155 1065156237 /nfs/dbraw/zinc/15/62/37/1065156237.db2.gz OUAVOCXZMGJSTE-QGZVFWFLSA-N 1 0 461.010 3.006 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001299909231 1065156267 /nfs/dbraw/zinc/15/62/67/1065156267.db2.gz REHYSTZFFRGEFD-CVEARBPZSA-N 1 0 461.010 3.147 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(Cc3cc(C)no3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001299909343 1065157303 /nfs/dbraw/zinc/15/73/03/1065157303.db2.gz VKQYASJZBHGETD-QGZVFWFLSA-N 1 0 474.009 3.176 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CCN(Cc3cc(C)no3)CC2)n1C[C@H](C)[NH+](C)C ZINC001299909342 1065157331 /nfs/dbraw/zinc/15/73/31/1065157331.db2.gz VKQYASJZBHGETD-KRWDZBQOSA-N 1 0 474.009 3.176 20 0 JGADRO COc1cc(Cl)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001299911973 1065162098 /nfs/dbraw/zinc/16/20/98/1065162098.db2.gz MTCXBVSVPXVJEK-IBGZPJMESA-N 1 0 461.010 3.191 20 0 JGADRO COc1cc(F)cc(Cn2c(-c3cccn3C)nnc2N2CC[NH+](CCOC(C)C)CC2)c1 ZINC001299918246 1065169265 /nfs/dbraw/zinc/16/92/65/1065169265.db2.gz GSPXDVFUCBZXCG-UHFFFAOYSA-N 1 0 456.566 3.027 20 0 JGADRO COc1cc(F)cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)c1 ZINC001299919188 1065170430 /nfs/dbraw/zinc/17/04/30/1065170430.db2.gz SPNVPSKYAUJDAW-UHFFFAOYSA-N 1 0 458.582 3.067 20 0 JGADRO COc1cc(N(C)c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC001299922674 1065176608 /nfs/dbraw/zinc/17/66/08/1065176608.db2.gz QUIYSZOUAMDGMQ-CMKODMSKSA-N 1 0 489.617 3.423 20 0 JGADRO COc1cc(N(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CC=CCC2)cc(OC)c1OC ZINC001299922965 1065177415 /nfs/dbraw/zinc/17/74/15/1065177415.db2.gz SQQMRBOLLLCGJG-UHFFFAOYSA-N 1 0 481.601 3.195 20 0 JGADRO COc1cc(N(C)c2nnc(-c3cccnc3)n2C[C@@H](C2CC2)[NH+](C)C)cc(OC)c1OC ZINC001299923236 1065177485 /nfs/dbraw/zinc/17/74/85/1065177485.db2.gz KWYCDRKHJAVLCG-IBGZPJMESA-N 1 0 452.559 3.474 20 0 JGADRO COc1cc(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc(OC)c1OC ZINC001299924285 1065179285 /nfs/dbraw/zinc/17/92/85/1065179285.db2.gz YBCMFLIHLCRNFV-RTBURBONSA-N 1 0 486.617 3.143 20 0 JGADRO COc1cc(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc(OC)c1OC ZINC001299924282 1065179293 /nfs/dbraw/zinc/17/92/93/1065179293.db2.gz YBCMFLIHLCRNFV-MOPGFXCFSA-N 1 0 486.617 3.143 20 0 JGADRO 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COc1cc(OC)cc(-c2nnc(N(C)Cc3cnn(C)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001299929585 1065192398 /nfs/dbraw/zinc/19/23/98/1065192398.db2.gz FHNHPZLZVSVNJV-RTBURBONSA-N 1 0 497.644 3.220 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)Cc3ccoc3C)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001299930530 1065193722 /nfs/dbraw/zinc/19/37/22/1065193722.db2.gz MOFVBCNAJGIPAF-GOSISDBHSA-N 1 0 469.586 3.468 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CCn3cccn3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001299931856 1065196433 /nfs/dbraw/zinc/19/64/33/1065196433.db2.gz HLYDYSQSVQWGSP-VQTJNVASSA-N 1 0 467.618 3.416 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[NH+]2CCCC2)c1 ZINC001299935791 1065202500 /nfs/dbraw/zinc/20/25/00/1065202500.db2.gz HBZWURJGSIHRMN-UHFFFAOYSA-N 1 0 481.519 3.406 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](C)[C@@H]3C)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001299939380 1065209375 /nfs/dbraw/zinc/20/93/75/1065209375.db2.gz ZXIINBNCLLGADX-UXHICEINSA-N 1 0 470.662 3.471 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCCC(C)(C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001299942501 1065212487 /nfs/dbraw/zinc/21/24/87/1065212487.db2.gz CVYTYCQLNKGRPL-HXUWFJFHSA-N 1 0 457.619 3.436 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001299946956 1065222484 /nfs/dbraw/zinc/22/24/84/1065222484.db2.gz UOBNIUOPDBIXEB-MOPGFXCFSA-N 1 0 484.645 3.175 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCS[C@H](C)C3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001299950146 1065225059 /nfs/dbraw/zinc/22/50/59/1065225059.db2.gz HOVJDNUTJGVCKY-LJQANCHMSA-N 1 0 488.702 3.178 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001299950828 1065226581 /nfs/dbraw/zinc/22/65/81/1065226581.db2.gz PBMUPMIMXPTQPJ-UHFFFAOYSA-N 1 0 472.634 3.188 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001299952149 1065231069 /nfs/dbraw/zinc/23/10/69/1065231069.db2.gz MFDDPULSGRBAOY-UXHICEINSA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)c4ccsc4)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001299952344 1065231630 /nfs/dbraw/zinc/23/16/30/1065231630.db2.gz ZDCBSCXGMBQXTJ-UHFFFAOYSA-N 1 0 498.653 3.326 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CC[NH+]2CCSCC2)c1 ZINC001299953347 1065233805 /nfs/dbraw/zinc/23/38/05/1065233805.db2.gz KAXJIDNXLIOKSF-IRXDYDNUSA-N 1 0 463.673 3.341 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CC[NH+]2CCSCC2)c1 ZINC001299953348 1065233823 /nfs/dbraw/zinc/23/38/23/1065233823.db2.gz KAXJIDNXLIOKSF-SJORKVTESA-N 1 0 463.673 3.341 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001299953767 1065234315 /nfs/dbraw/zinc/23/43/15/1065234315.db2.gz OZWNPOURENJGPT-PWHSHALESA-N 1 0 457.619 3.290 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCSCC2)c1 ZINC001299957988 1065236275 /nfs/dbraw/zinc/23/62/75/1065236275.db2.gz NIWVGBDMKYFDIB-DEOSSOPVSA-N 1 0 491.658 3.153 20 0 JGADRO COc1cc(OC)cc(N2CCCN(c3nnc(CC4CC4)n3CC[N@H+](C)C(C)C)CC2)c1 ZINC001299959872 1065241112 /nfs/dbraw/zinc/24/11/12/1065241112.db2.gz FSUHHEMVJJRKSQ-UHFFFAOYSA-N 1 0 456.635 3.305 20 0 JGADRO COc1cc2c(cc1C)CN(c1nnc([C@H]3CCS(=O)(=O)C3)n1C[C@@H](CC(C)C)[NH+](C)C)CC2 ZINC001299960353 1065242149 /nfs/dbraw/zinc/24/21/49/1065242149.db2.gz WSHKCWVWIJGEFV-RBBKRZOGSA-N 1 0 489.686 3.036 20 0 JGADRO COc1cc2c(cc1C)CN(c1nnc([C@H]3CCS(=O)(=O)C3)n1C[C@H](CC(C)C)[NH+](C)C)CC2 ZINC001299960354 1065242393 /nfs/dbraw/zinc/24/23/93/1065242393.db2.gz WSHKCWVWIJGEFV-UNMCSNQZSA-N 1 0 489.686 3.036 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299967471 1065250564 /nfs/dbraw/zinc/25/05/64/1065250564.db2.gz PNDAJPPJWPZTGG-CQSZACIVSA-N 1 0 481.439 3.004 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)C[C@@H]3CCOC3)n2CC[N@H+]2CC=CCC2)c1 ZINC001299968319 1065252079 /nfs/dbraw/zinc/25/20/79/1065252079.db2.gz DWYCRFDQUHLDHP-KRWDZBQOSA-N 1 0 476.419 3.451 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)CCNC(=O)C(C)C)n2CC[NH+]2CCCC2)c1 ZINC001299968519 1065252506 /nfs/dbraw/zinc/25/25/06/1065252506.db2.gz FNQSCYMLOWVRPT-UHFFFAOYSA-N 1 0 493.450 3.020 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001299968695 1065252986 /nfs/dbraw/zinc/25/29/86/1065252986.db2.gz KCPKZPCTCFKRCX-GOSISDBHSA-N 1 0 492.340 3.171 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@H](C)[NH+](C)C)c1 ZINC001299968847 1065254280 /nfs/dbraw/zinc/25/42/80/1065254280.db2.gz MCXJUSRBFCRQKG-AWEZNQCLSA-N 1 0 476.423 3.345 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC=CCC3)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001299969315 1065255721 /nfs/dbraw/zinc/25/57/21/1065255721.db2.gz QGEPSDPRILCDRS-QGZVFWFLSA-N 1 0 476.419 3.329 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC[C@H](c4cnn(C)c4)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299969970 1065257308 /nfs/dbraw/zinc/25/73/08/1065257308.db2.gz CWIHEHCHTLAFRX-HOTGVXAUSA-N 1 0 488.434 3.394 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299969971 1065257345 /nfs/dbraw/zinc/25/73/45/1065257345.db2.gz CWIHEHCHTLAFRX-HZPDHXFCSA-N 1 0 488.434 3.394 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCC(CO)CC3)n2CC[N@H+]2CC=CCC2)c1 ZINC001299970843 1065259125 /nfs/dbraw/zinc/25/91/25/1065259125.db2.gz WDECAOXSFLAFHX-UHFFFAOYSA-N 1 0 476.419 3.187 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001299973651 1065262436 /nfs/dbraw/zinc/26/24/36/1065262436.db2.gz LPFKIIZXTQXACL-IFXJQAMLSA-N 1 0 464.408 3.282 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C)C3)n2CCC[NH+]2CCCC2)c1 ZINC001299974380 1065264483 /nfs/dbraw/zinc/26/44/83/1065264483.db2.gz UNQNVDKIFMSISV-INIZCTEOSA-N 1 0 464.408 3.427 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2C[C@@H](C)OC)c1 ZINC001299974595 1065265531 /nfs/dbraw/zinc/26/55/31/1065265531.db2.gz XFNACPFFNJMSEF-OAHLLOKOSA-N 1 0 464.408 3.426 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCS(=O)CC3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001299974655 1065266155 /nfs/dbraw/zinc/26/61/55/1065266155.db2.gz YPUKCMSFHWQDHE-UHFFFAOYSA-N 1 0 496.475 3.159 20 0 JGADRO COc1ccc(Br)c(CN(C)c2nnc(-c3cnccn3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001299976068 1065271892 /nfs/dbraw/zinc/27/18/92/1065271892.db2.gz YJNLZIZTFYIIKJ-HXUWFJFHSA-N 1 0 486.418 3.483 20 0 JGADRO COc1ccc([C@@H](C)N(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC001299983626 1065284973 /nfs/dbraw/zinc/28/49/73/1065284973.db2.gz JOUAWVXQLHKNOD-GCJKJVERSA-N 1 0 484.645 3.325 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc(-c3cnccn3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001299984459 1065285507 /nfs/dbraw/zinc/28/55/07/1065285507.db2.gz PIOBSPXRPOLVNB-FQEVSTJZSA-N 1 0 478.645 3.215 20 0 JGADRO COc1ccc([C@H](C)CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001299985296 1065287065 /nfs/dbraw/zinc/28/70/65/1065287065.db2.gz VHXDZHDUPCSAEN-IFMALSPDSA-N 1 0 489.686 3.303 20 0 JGADRO COc1ccc([C@H](Cn2c(C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)[NH+]2CCCC2)cc1 ZINC001299988254 1065291610 /nfs/dbraw/zinc/29/16/10/1065291610.db2.gz MDQMJWGEQNQSSE-CVDCTZTESA-N 1 0 454.619 3.125 20 0 JGADRO COc1ccc(C)cc1CN1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001299991453 1065296741 /nfs/dbraw/zinc/29/67/41/1065296741.db2.gz VZTUDOQZECVRIF-UHFFFAOYSA-N 1 0 477.657 3.243 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001299996838 1065306141 /nfs/dbraw/zinc/30/61/41/1065306141.db2.gz QGCYUBYEBPYTPU-OAQYLSRUSA-N 1 0 458.676 3.169 20 0 JGADRO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001299996799 1065306162 /nfs/dbraw/zinc/30/61/62/1065306162.db2.gz PEYADBBQBDSYFR-FQEVSTJZSA-N 1 0 456.616 3.279 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC001492206036 1065320806 /nfs/dbraw/zinc/32/08/06/1065320806.db2.gz SSEQOEZQOHFRSR-QFIPXVFZSA-N 1 0 496.700 3.385 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001492207932 1065322294 /nfs/dbraw/zinc/32/22/94/1065322294.db2.gz DBMFFZQBDIDIRC-QRVBRYPASA-N 1 0 480.654 3.093 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492211434 1065324453 /nfs/dbraw/zinc/32/44/53/1065324453.db2.gz NQYUDSJYWRCGCV-NZQKXSOJSA-N 1 0 486.636 3.199 20 0 JGADRO Cc1ccc(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001492221882 1065328517 /nfs/dbraw/zinc/32/85/17/1065328517.db2.gz WDJKTHJVLDSNPW-RDGATRHJSA-N 1 0 457.619 3.242 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC001492240403 1065338189 /nfs/dbraw/zinc/33/81/89/1065338189.db2.gz KSHXCGHHIYXBHJ-CPJSRVTESA-N 1 0 486.686 3.447 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCc3nccs3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001492240893 1065339406 /nfs/dbraw/zinc/33/94/06/1065339406.db2.gz RVBAPDCOOOYXDG-UHFFFAOYSA-N 1 0 497.669 3.129 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001492241388 1065340729 /nfs/dbraw/zinc/34/07/29/1065340729.db2.gz WMXNZXSZNFKZBX-HSZRJFAPSA-N 1 0 497.688 3.180 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@H]2C[C@H]2C)cc1C ZINC001492241537 1065340972 /nfs/dbraw/zinc/34/09/72/1065340972.db2.gz YBFIFMDJUZTKTQ-UXHICEINSA-N 1 0 454.619 3.350 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[C@H](C)[NH+]2CCCCC2)cc1C ZINC001492245003 1065343863 /nfs/dbraw/zinc/34/38/63/1065343863.db2.gz YMPNOWVNHHIMMO-SFTDATJTSA-N 1 0 481.645 3.079 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCCOCC(F)F)cc1C ZINC001492246197 1065345382 /nfs/dbraw/zinc/34/53/82/1065345382.db2.gz CKSLVGRKHGWVFB-UYAOXDASSA-N 1 0 476.572 3.492 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492250716 1065350467 /nfs/dbraw/zinc/35/04/67/1065350467.db2.gz QAFPJQKRZMSDAS-RCZSKKKRSA-N 1 0 454.619 3.229 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1C ZINC001492250672 1065350658 /nfs/dbraw/zinc/35/06/58/1065350658.db2.gz OWAMNFVXJQBQDM-HSZRJFAPSA-N 1 0 495.672 3.228 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CCNC(=O)C(C)C)cc1C ZINC001492251038 1065351950 /nfs/dbraw/zinc/35/19/50/1065351950.db2.gz WBXFDRGMWNUBJR-JOCHJYFZSA-N 1 0 495.672 3.232 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC[NH+]2CCCCC2)cc1C ZINC001492253724 1065353909 /nfs/dbraw/zinc/35/39/09/1065353909.db2.gz HFDVILIWQMQUDW-NRFANRHFSA-N 1 0 481.645 3.115 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCOCC[NH+](C)C)cc1C ZINC001492254646 1065354467 /nfs/dbraw/zinc/35/44/67/1065354467.db2.gz MJKBCAJMDFMZRF-GOSISDBHSA-N 1 0 464.561 3.207 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001492264096 1065356770 /nfs/dbraw/zinc/35/67/70/1065356770.db2.gz DQCLSKWKESOAMR-QFIPXVFZSA-N 1 0 495.672 3.374 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C4CCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492265724 1065358953 /nfs/dbraw/zinc/35/89/53/1065358953.db2.gz DQMIIEHSVVZWHK-RUZDIDTESA-N 1 0 454.619 3.229 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C4CCC4)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492265725 1065358965 /nfs/dbraw/zinc/35/89/65/1065358965.db2.gz DQMIIEHSVVZWHK-VWLOTQADSA-N 1 0 454.619 3.229 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCN(c4ncccc4F)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492267075 1065362407 /nfs/dbraw/zinc/36/24/07/1065362407.db2.gz UJKPEZADYCGYEI-HXUWFJFHSA-N 1 0 494.619 3.348 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001492268110 1065363549 /nfs/dbraw/zinc/36/35/49/1065363549.db2.gz SEWQVLQSTBNUNJ-HSZRJFAPSA-N 1 0 497.688 3.428 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492268806 1065363613 /nfs/dbraw/zinc/36/36/13/1065363613.db2.gz YQZQHQAXTFGXRO-GOSISDBHSA-N 1 0 481.567 3.172 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2CCC[NH+]2CCCCC2)cc1C ZINC001492268235 1065364261 /nfs/dbraw/zinc/36/42/61/1065364261.db2.gz VFBCZZVPGNFMDF-UHFFFAOYSA-N 1 0 489.615 3.410 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492273900 1065367227 /nfs/dbraw/zinc/36/72/27/1065367227.db2.gz OYNTZVXVYJNULT-QFIPXVFZSA-N 1 0 484.645 3.119 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001492276439 1065371373 /nfs/dbraw/zinc/37/13/73/1065371373.db2.gz PLRJECOAKYKYIA-SJBKTWHCSA-N 1 0 472.609 3.442 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001492287190 1065380492 /nfs/dbraw/zinc/38/04/92/1065380492.db2.gz ORJZZSNLFZKFME-NRFANRHFSA-N 1 0 452.607 3.038 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001492287593 1065380964 /nfs/dbraw/zinc/38/09/64/1065380964.db2.gz RUJXHILIXYRMKV-NRFANRHFSA-N 1 0 461.614 3.379 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492238530 1065383968 /nfs/dbraw/zinc/38/39/68/1065383968.db2.gz SFGFMZHQFWWZPD-NRFANRHFSA-N 1 0 492.628 3.075 20 0 JGADRO Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001492302490 1065385929 /nfs/dbraw/zinc/38/59/29/1065385929.db2.gz JFBSMRTUVCPLMN-UHFFFAOYSA-N 1 0 498.672 3.008 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCSCC2)cnn1C ZINC001492320629 1065395305 /nfs/dbraw/zinc/39/53/05/1065395305.db2.gz OXXJOPPCAHTSKL-UHFFFAOYSA-N 1 0 469.659 3.201 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001492338869 1065406940 /nfs/dbraw/zinc/40/69/40/1065406940.db2.gz RUVIIVYOVOAGRB-YPAWHYETSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC001492297721 1065412224 /nfs/dbraw/zinc/41/22/24/1065412224.db2.gz YAXLNUQSCHZARI-UKILVPOCSA-N 1 0 484.689 3.409 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492354137 1065418706 /nfs/dbraw/zinc/41/87/06/1065418706.db2.gz YJJMUIUFIGEQIE-AREMUKBSSA-N 1 0 471.646 3.121 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001492354147 1065418902 /nfs/dbraw/zinc/41/89/02/1065418902.db2.gz YPTXWMGYCQGKNZ-JOCHJYFZSA-N 1 0 498.672 3.067 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001492363406 1065424921 /nfs/dbraw/zinc/42/49/21/1065424921.db2.gz JGNDKBJIPUDFSX-LVXARBLLSA-N 1 0 468.646 3.309 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001492363660 1065425773 /nfs/dbraw/zinc/42/57/73/1065425773.db2.gz LMMJJYMWUCOQSE-GOTSBHOMSA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC[NH+]2CCCCC2)cc1C ZINC001492372385 1065438031 /nfs/dbraw/zinc/43/80/31/1065438031.db2.gz ZDBMHOBGABWFBR-QFIPXVFZSA-N 1 0 468.646 3.442 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCO[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001492377496 1065441540 /nfs/dbraw/zinc/44/15/40/1065441540.db2.gz QWBLQMPOYBRURH-QFIPXVFZSA-N 1 0 471.646 3.324 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001492377868 1065442418 /nfs/dbraw/zinc/44/24/18/1065442418.db2.gz XKTQYUJBAZXJDH-VSKRKVRLSA-N 1 0 468.646 3.235 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC001492383274 1065447067 /nfs/dbraw/zinc/44/70/67/1065447067.db2.gz QGGDHKDHHVREBG-DEOSSOPVSA-N 1 0 470.662 3.053 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCc2cnn(C)c2)cc1C ZINC001492383265 1065447089 /nfs/dbraw/zinc/44/70/89/1065447089.db2.gz PWECUNZVGWGJMR-UHFFFAOYSA-N 1 0 451.619 3.371 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001492383720 1065448781 /nfs/dbraw/zinc/44/87/81/1065448781.db2.gz WYVGQJMAYQVPAR-JOCHJYFZSA-N 1 0 483.661 3.136 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCNC(=O)C(C)C)cc1C ZINC001492383703 1065448790 /nfs/dbraw/zinc/44/87/90/1065448790.db2.gz AYISACKONAAJBL-UHFFFAOYSA-N 1 0 456.635 3.024 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(c4cnccn4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001492385597 1065453145 /nfs/dbraw/zinc/45/31/45/1065453145.db2.gz SBWZADGWTDONNO-QFIPXVFZSA-N 1 0 478.645 3.258 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CC(=O)NC(C)C)cc1 ZINC001492385656 1065453726 /nfs/dbraw/zinc/45/37/26/1065453726.db2.gz UCQWJQYUKMLSJE-FQEVSTJZSA-N 1 0 454.619 3.001 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2COCCO2)cc1C ZINC001492391285 1065455522 /nfs/dbraw/zinc/45/55/22/1065455522.db2.gz RAQSZXOXXDWGJH-HSZRJFAPSA-N 1 0 471.646 3.448 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC001492390964 1065457122 /nfs/dbraw/zinc/45/71/22/1065457122.db2.gz HZTGEYIIXQUXDL-PMACEKPBSA-N 1 0 468.646 3.168 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492345867 1065461135 /nfs/dbraw/zinc/46/11/35/1065461135.db2.gz FVKCUOUAIPIFPW-HXUWFJFHSA-N 1 0 456.635 3.199 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492392235 1065464383 /nfs/dbraw/zinc/46/43/83/1065464383.db2.gz WMOGYWOKXVPQDE-SFTDATJTSA-N 1 0 492.615 3.052 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC[C@H]3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492399800 1065468394 /nfs/dbraw/zinc/46/83/94/1065468394.db2.gz CUEIXPRRYRLMPQ-FYYLOGMGSA-N 1 0 457.619 3.056 20 0 JGADRO Cc1nc([C@@H]2CN(c3nnc(COc4ccc(C)cc4)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)no1 ZINC001492402970 1065473425 /nfs/dbraw/zinc/47/34/25/1065473425.db2.gz XTMWVLXMEZPMRP-IRLDBZIGSA-N 1 0 483.617 3.411 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001492431944 1065489004 /nfs/dbraw/zinc/48/90/04/1065489004.db2.gz UKOZGYBRLUASGS-UHFFFAOYSA-N 1 0 476.691 3.247 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001492436096 1065490476 /nfs/dbraw/zinc/49/04/76/1065490476.db2.gz DHKOCUKIHOWWFT-GCJKJVERSA-N 1 0 497.756 3.185 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001492436099 1065490540 /nfs/dbraw/zinc/49/05/40/1065490540.db2.gz DHKOCUKIHOWWFT-PGRDOPGGSA-N 1 0 497.756 3.185 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001492438422 1065496020 /nfs/dbraw/zinc/49/60/20/1065496020.db2.gz KENDJXPCASRMEM-UHFFFAOYSA-N 1 0 488.683 3.260 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)Cc3ccon3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001492449213 1065502325 /nfs/dbraw/zinc/50/23/25/1065502325.db2.gz RGETUXWPFKSVIL-UHFFFAOYSA-N 1 0 456.616 3.350 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CCN3CCOCC3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001492449122 1065502405 /nfs/dbraw/zinc/50/24/05/1065502405.db2.gz QHMFQCFMXBYICK-UHFFFAOYSA-N 1 0 472.703 3.379 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492462236 1065510609 /nfs/dbraw/zinc/51/06/09/1065510609.db2.gz NHYPGLDPJRAZHG-AVRDEDQJSA-N 1 0 499.603 3.493 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001492465692 1065512698 /nfs/dbraw/zinc/51/26/98/1065512698.db2.gz HNLYKMROFPNHFB-UHFFFAOYSA-N 1 0 456.660 3.422 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[NH+]2CCSCC2)cc1 ZINC001492465859 1065513114 /nfs/dbraw/zinc/51/31/14/1065513114.db2.gz NQGQIGATESCKBL-UHFFFAOYSA-N 1 0 488.727 3.232 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](C(C)C)CC3)n2CC2CCS(=O)(=O)CC2)cc1 ZINC001492465917 1065513270 /nfs/dbraw/zinc/51/32/70/1065513270.db2.gz PNPRTXWSTMHDOC-UHFFFAOYSA-N 1 0 477.700 3.234 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC[NH+]2CCCCCC2)cc1 ZINC001492466085 1065513853 /nfs/dbraw/zinc/51/38/53/1065513853.db2.gz WDWNUYSUIRTQKE-HXUWFJFHSA-N 1 0 456.660 3.422 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(=O)NCC2CC2)cc1 ZINC001492467892 1065515377 /nfs/dbraw/zinc/51/53/77/1065515377.db2.gz PJSDVVFPAFINNA-UHFFFAOYSA-N 1 0 456.660 3.183 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC[NH+]1CCC(C)CC1 ZINC001492470725 1065520642 /nfs/dbraw/zinc/52/06/42/1065520642.db2.gz YAIAHFTTXNIKKQ-HXUWFJFHSA-N 1 0 474.675 3.403 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CCNC(=O)c2cccc(C)c2)o1 ZINC001492471841 1065523284 /nfs/dbraw/zinc/52/32/84/1065523284.db2.gz VEUNSEFTWHYLJM-UHFFFAOYSA-N 1 0 480.613 3.132 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1C ZINC001300795352 1065525276 /nfs/dbraw/zinc/52/52/76/1065525276.db2.gz NWUSBZCPYISJQM-MIALQEHNSA-N 1 0 495.466 3.396 20 0 JGADRO CO[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCC(O)CC2)CC[C@H]1C ZINC001300795588 1065525823 /nfs/dbraw/zinc/52/58/23/1065525823.db2.gz OSKCDRDCUUXXDY-UTKZUKDTSA-N 1 0 479.572 3.255 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001300797632 1065529773 /nfs/dbraw/zinc/52/97/73/1065529773.db2.gz OFPWLQSRPGKQIC-TZBSWOFLSA-N 1 0 463.667 3.302 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CC(C)C)[NH+](C)C)CC1(C)C ZINC001300798882 1065531260 /nfs/dbraw/zinc/53/12/60/1065531260.db2.gz TYXAFDUKGBTACS-ROKPMTFOSA-N 1 0 451.656 3.156 20 0 JGADRO CO[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+]2CCCC2)CC1(C)C ZINC001300799942 1065532583 /nfs/dbraw/zinc/53/25/83/1065532583.db2.gz XZZCGYCQMOZPLZ-NBGIEHNGSA-N 1 0 463.667 3.302 20 0 JGADRO CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC[C@@H]1C ZINC001300800648 1065532663 /nfs/dbraw/zinc/53/26/63/1065532663.db2.gz UHJGZJBILJSKJS-CNNODRBYSA-N 1 0 489.064 3.455 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+]2CCCC2)CC1(C)C ZINC001300799943 1065532882 /nfs/dbraw/zinc/53/28/82/1065532882.db2.gz XZZCGYCQMOZPLZ-NLFFAJNJSA-N 1 0 463.667 3.302 20 0 JGADRO 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COC[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301249170 1066066358 /nfs/dbraw/zinc/06/63/58/1066066358.db2.gz UGYOTVICMNGFKK-XJUOHMSHSA-N 1 0 470.662 3.405 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@H](COC)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001301250842 1066068037 /nfs/dbraw/zinc/06/80/37/1066068037.db2.gz HXFCSYOJMWLSDB-LDVJMBRRSA-N 1 0 463.667 3.377 20 0 JGADRO COC[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001301264170 1066079665 /nfs/dbraw/zinc/07/96/65/1066079665.db2.gz WKXHAWRTIMASSW-MOPGFXCFSA-N 1 0 463.623 3.469 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001301265051 1066080628 /nfs/dbraw/zinc/08/06/28/1066080628.db2.gz VEDWUXREWVDUEF-MOPGFXCFSA-N 1 0 492.462 3.417 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001301277388 1066088226 /nfs/dbraw/zinc/08/82/26/1066088226.db2.gz WXQCQRMIZRXZIS-HXUWFJFHSA-N 1 0 456.635 3.016 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001301278338 1066088429 /nfs/dbraw/zinc/08/84/29/1066088429.db2.gz PVYDBCBCTOLAJA-JOCHJYFZSA-N 1 0 460.692 3.067 20 0 JGADRO COC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001301284030 1066092077 /nfs/dbraw/zinc/09/20/77/1066092077.db2.gz SJMVCWAGXSWDRY-QHCPKHFHSA-N 1 0 451.619 3.112 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001301294339 1066099150 /nfs/dbraw/zinc/09/91/50/1066099150.db2.gz MJHMGDYBXPCBBY-NQIIRXRSSA-N 1 0 479.572 3.376 20 0 JGADRO COCC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001301296795 1066101745 /nfs/dbraw/zinc/10/17/45/1066101745.db2.gz ZEHZUXXRGUCKOF-UHFFFAOYSA-N 1 0 479.572 3.256 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001301297818 1066103940 /nfs/dbraw/zinc/10/39/40/1066103940.db2.gz GCNWVDNPGIUMEE-NHCUHLMSSA-N 1 0 489.686 3.476 20 0 JGADRO COCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001301306603 1066110392 /nfs/dbraw/zinc/11/03/92/1066110392.db2.gz HGUHWGMVTAVQGR-OAQYLSRUSA-N 1 0 451.040 3.294 20 0 JGADRO COC[C@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001301318415 1066116597 /nfs/dbraw/zinc/11/65/97/1066116597.db2.gz DJZXQXCDBUTBJA-VQTJNVASSA-N 1 0 464.655 3.206 20 0 JGADRO COCC1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001301328366 1066121554 /nfs/dbraw/zinc/12/15/54/1066121554.db2.gz FMFMMDSQJFATJI-UHFFFAOYSA-N 1 0 452.578 3.398 20 0 JGADRO COC[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001301329030 1066122137 /nfs/dbraw/zinc/12/21/37/1066122137.db2.gz OMZFCEVHHMAYKX-NZQKXSOJSA-N 1 0 450.587 3.048 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(COC)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001301344599 1066135965 /nfs/dbraw/zinc/13/59/65/1066135965.db2.gz PCULLSVEGJZNOS-WWNPGLIZSA-N 1 0 475.609 3.307 20 0 JGADRO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001301345098 1066135971 /nfs/dbraw/zinc/13/59/71/1066135971.db2.gz FIUDSTJJSOCYJK-FCHUYYIVSA-N 1 0 484.645 3.119 20 0 JGADRO COC[C@H]1CN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC001301346113 1066137519 /nfs/dbraw/zinc/13/75/19/1066137519.db2.gz MAAHUOUUTPFJQW-LJQANCHMSA-N 1 0 451.681 3.179 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301356766 1066146212 /nfs/dbraw/zinc/14/62/12/1066146212.db2.gz HNOQCATXEKIYNO-MJGOQNOKSA-N 1 0 495.466 3.399 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC001301357419 1066146662 /nfs/dbraw/zinc/14/66/62/1066146662.db2.gz ACXHKLZUSZVAEH-WMZOPIPTSA-N 1 0 495.466 3.161 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001301359753 1066151092 /nfs/dbraw/zinc/15/10/92/1066151092.db2.gz QGIUZSWYVDPFAH-WMZOPIPTSA-N 1 0 481.439 3.008 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001301359782 1066151583 /nfs/dbraw/zinc/15/15/83/1066151583.db2.gz QKIDOTVRJPJESM-UYAOXDASSA-N 1 0 495.466 3.398 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC001301363618 1066158404 /nfs/dbraw/zinc/15/84/04/1066158404.db2.gz ZPZSUTDFLGPNHY-SIKLNZKXSA-N 1 0 469.586 3.075 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001301364217 1066159568 /nfs/dbraw/zinc/15/95/68/1066159568.db2.gz ZEIQGLAMQIIUCS-XLIONFOSSA-N 1 0 478.435 3.291 20 0 JGADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C3=CCCN(C(=O)OC(C)(C)C)CC3)C2)ccn1 ZINC001301364532 1066159867 /nfs/dbraw/zinc/15/98/67/1066159867.db2.gz PHAXKEWMHBGDRV-QFIPXVFZSA-N 1 0 458.603 3.470 20 0 JGADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cccn4ncc(Br)c34)C2)ccn1 ZINC001301364845 1066159958 /nfs/dbraw/zinc/15/99/58/1066159958.db2.gz ZBMXFLIAJKWDOS-QGZVFWFLSA-N 1 0 458.360 3.237 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001301368501 1066163154 /nfs/dbraw/zinc/16/31/54/1066163154.db2.gz JFWWPFSRXKMDFY-SJLPKXTDSA-N 1 0 496.425 3.430 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H](C)O1 ZINC001301368949 1066163516 /nfs/dbraw/zinc/16/35/16/1066163516.db2.gz MYRBSIBYNOBKTR-HOJAQTOUSA-N 1 0 496.027 3.335 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001301369849 1066164430 /nfs/dbraw/zinc/16/44/30/1066164430.db2.gz UQVKJMGEVZQMOC-APWZRJJASA-N 1 0 454.402 3.444 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001301369855 1066164434 /nfs/dbraw/zinc/16/44/34/1066164434.db2.gz UQVKJMGEVZQMOC-VQIMIIECSA-N 1 0 454.402 3.444 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCO1 ZINC001301370566 1066164753 /nfs/dbraw/zinc/16/47/53/1066164753.db2.gz AGJSYNYYLSIULF-KIVTUJJHSA-N 1 0 457.619 3.316 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC001301370568 1066164765 /nfs/dbraw/zinc/16/47/65/1066164765.db2.gz AGJSYNYYLSIULF-RZTXVSJASA-N 1 0 457.619 3.316 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001301372652 1066166946 /nfs/dbraw/zinc/16/69/46/1066166946.db2.gz GLVKKVNZUXYPCG-NRFANRHFSA-N 1 0 487.645 3.467 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H](C)O1 ZINC001301373708 1066167278 /nfs/dbraw/zinc/16/72/78/1066167278.db2.gz FUHVQMXDPAQQHE-URVUXULASA-N 1 0 457.619 3.314 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H](C)O1 ZINC001301377293 1066170902 /nfs/dbraw/zinc/17/09/02/1066170902.db2.gz XMILQRGERUGWGF-JTAQYXEDSA-N 1 0 457.619 3.314 20 0 JGADRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(OCC)cc3)ccc2C)C1 ZINC001301380005 1066172115 /nfs/dbraw/zinc/17/21/15/1066172115.db2.gz VITIDBSNQNMGSW-IBGZPJMESA-N 1 0 459.612 3.433 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@@H](C)O1 ZINC001301397515 1066178371 /nfs/dbraw/zinc/17/83/71/1066178371.db2.gz RARJBWOYMLNLMO-SJBKTWHCSA-N 1 0 459.610 3.369 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H](C)O1 ZINC001301397755 1066178537 /nfs/dbraw/zinc/17/85/37/1066178537.db2.gz UHTJMQIKXUEMAA-HLAWJBBLSA-N 1 0 469.586 3.014 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@H](C)O1 ZINC001301397763 1066178760 /nfs/dbraw/zinc/17/87/60/1066178760.db2.gz UKEORWLERMFMOH-GIWBLDEGSA-N 1 0 471.646 3.238 20 0 JGADRO COC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001301398496 1066179613 /nfs/dbraw/zinc/17/96/13/1066179613.db2.gz FUDLUBBVIDXUJR-SIKLNZKXSA-N 1 0 455.628 3.303 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H](C)O1 ZINC001301399842 1066180647 /nfs/dbraw/zinc/18/06/47/1066180647.db2.gz QDMKLNNXQUSTIG-WQTXXOFMSA-N 1 0 488.633 3.316 20 0 JGADRO COC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H](C)O1 ZINC001301400691 1066181237 /nfs/dbraw/zinc/18/12/37/1066181237.db2.gz CKQVSWCHPWFAIJ-YCSHWKNNSA-N 1 0 471.646 3.260 20 0 JGADRO C[NH+](C)CCn1nccc1C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC001301401832 1066182615 /nfs/dbraw/zinc/18/26/15/1066182615.db2.gz OKVFODRLNLZRSO-UHFFFAOYSA-N 1 0 456.182 3.168 20 0 JGADRO COC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001301404847 1066187033 /nfs/dbraw/zinc/18/70/33/1066187033.db2.gz HGKXPJYIPYPQFX-FGZHOGPDSA-N 1 0 457.619 3.200 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC001301406772 1066189182 /nfs/dbraw/zinc/18/91/82/1066189182.db2.gz MTGCUTSKAJMMAH-GGAORHGYSA-N 1 0 473.666 3.034 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC001301410290 1066197876 /nfs/dbraw/zinc/19/78/76/1066197876.db2.gz SWGLMZPJINRTOI-AEFFLSMTSA-N 1 0 484.428 3.500 20 0 JGADRO 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CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001302200905 1066695373 /nfs/dbraw/zinc/69/53/73/1066695373.db2.gz UCQVMJFCSFMOHU-UHFFFAOYSA-N 1 0 460.692 3.352 20 0 JGADRO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001301759792 1066697329 /nfs/dbraw/zinc/69/73/29/1066697329.db2.gz PLCQELWOQYWSAG-NRFANRHFSA-N 1 0 454.619 3.017 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2COCCO2)CC1 ZINC001302202839 1066698688 /nfs/dbraw/zinc/69/86/88/1066698688.db2.gz KHMUQTVGITZJCM-GOSISDBHSA-N 1 0 464.408 3.044 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2COCCO2)CC1 ZINC001302202840 1066698720 /nfs/dbraw/zinc/69/87/20/1066698720.db2.gz KHMUQTVGITZJCM-SFHVURJKSA-N 1 0 464.408 3.044 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCCC2)CC1 ZINC001302203551 1066699971 /nfs/dbraw/zinc/69/99/71/1066699971.db2.gz UJWKFTLWEVABDS-UHFFFAOYSA-N 1 0 460.573 3.113 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001302203515 1066700103 /nfs/dbraw/zinc/70/01/03/1066700103.db2.gz SUDAWZGBEALARF-UHFFFAOYSA-N 1 0 468.646 3.223 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC2CCOCC2)CC1 ZINC001302203778 1066700606 /nfs/dbraw/zinc/70/06/06/1066700606.db2.gz WGNDJRNRTZKCQR-UHFFFAOYSA-N 1 0 474.675 3.397 20 0 JGADRO CC(C)(C)[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(O)CCC2)CC1 ZINC001302204048 1066701326 /nfs/dbraw/zinc/70/13/26/1066701326.db2.gz VNEVHHQJGGVRLW-UHFFFAOYSA-N 1 0 475.037 3.087 20 0 JGADRO COCCN(CC(C)C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001301766991 1066708651 /nfs/dbraw/zinc/70/86/51/1066708651.db2.gz WIWMPPVIFSIKKB-UHFFFAOYSA-N 1 0 473.618 3.018 20 0 JGADRO COCCN(CC(C)C)c1nnc([C@@H]2CCCOC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001301771224 1066714886 /nfs/dbraw/zinc/71/48/86/1066714886.db2.gz FNGPTXASMHBBKO-JOCHJYFZSA-N 1 0 463.667 3.316 20 0 JGADRO CC(C)(C)NC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCCCC2)CC1 ZINC001302213946 1066716682 /nfs/dbraw/zinc/71/66/82/1066716682.db2.gz NJJVRSYNASPGFI-UHFFFAOYSA-N 1 0 489.615 3.263 20 0 JGADRO CC(=O)Nc1ccc(CCn2c(C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001301776877 1066723292 /nfs/dbraw/zinc/72/32/92/1066723292.db2.gz JWWOQAXWMRZJIX-KDURUIRLSA-N 1 0 454.619 3.113 20 0 JGADRO COCCOCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001302220893 1066726168 /nfs/dbraw/zinc/72/61/68/1066726168.db2.gz YCWDZEHRKRSZAM-UHFFFAOYSA-N 1 0 484.414 3.477 20 0 JGADRO COCCN(Cc1ccc(C)o1)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001301779279 1066727677 /nfs/dbraw/zinc/72/76/77/1066727677.db2.gz CNISNMSHHAWTSS-UHFFFAOYSA-N 1 0 453.591 3.412 20 0 JGADRO COCCOCCn1c(-c2ccccc2Br)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001302224375 1066735600 /nfs/dbraw/zinc/73/56/00/1066735600.db2.gz MCCMUVZEDZZDLY-UHFFFAOYSA-N 1 0 466.424 3.149 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001301802964 1066754190 /nfs/dbraw/zinc/75/41/90/1066754190.db2.gz KBQKYDRYZUHUSO-RBKXMNCYSA-N 1 0 453.635 3.344 20 0 JGADRO CCOc1ccc(-c2noc(CCC(=O)N3CC[NH2+][C@H](Cc4cccc(OC)c4)C3)n2)cc1 ZINC001301803283 1066754714 /nfs/dbraw/zinc/75/47/14/1066754714.db2.gz VHFNAJKQWDGHNU-HXUWFJFHSA-N 1 0 450.539 3.120 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001301804643 1066756167 /nfs/dbraw/zinc/75/61/67/1066756167.db2.gz XGSJTIPDSXDXGE-MTNXOHHFSA-N 1 0 492.093 3.314 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccn3C)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001301804687 1066756621 /nfs/dbraw/zinc/75/66/21/1066756621.db2.gz YEPSLMAAAGXNBP-JSRJAPPDSA-N 1 0 455.651 3.289 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc(CCc3ccccc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001301807374 1066760795 /nfs/dbraw/zinc/76/07/95/1066760795.db2.gz LCWBETUYBYKDLG-UHFFFAOYSA-N 1 0 450.631 3.209 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001301807483 1066760963 /nfs/dbraw/zinc/76/09/63/1066760963.db2.gz HNRRNOGDGAFKKV-UHFFFAOYSA-N 1 0 467.662 3.269 20 0 JGADRO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCc1ccncc1 ZINC001302239756 1066762278 /nfs/dbraw/zinc/76/22/78/1066762278.db2.gz CROCBTKTILSEDB-NRFANRHFSA-N 1 0 499.660 3.145 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001301807897 1066762395 /nfs/dbraw/zinc/76/23/95/1066762395.db2.gz SQMFVOWMHLOGNE-DNFKCEGXSA-N 1 0 484.693 3.144 20 0 JGADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCCO1 ZINC001302241001 1066764957 /nfs/dbraw/zinc/76/49/57/1066764957.db2.gz KUQQYIOBNBMTPM-WOJBJXKFSA-N 1 0 492.665 3.076 20 0 JGADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCO1 ZINC001302240997 1066765066 /nfs/dbraw/zinc/76/50/66/1066765066.db2.gz KUQQYIOBNBMTPM-VQTJNVASSA-N 1 0 492.665 3.076 20 0 JGADRO 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CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001301817386 1066775733 /nfs/dbraw/zinc/77/57/33/1066775733.db2.gz CGAKQCLNLKMVTM-MAUKXSAKSA-N 1 0 493.425 3.436 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302247889 1066779066 /nfs/dbraw/zinc/77/90/66/1066779066.db2.gz HUHYGEGJLQIPIC-GPFNJZLUSA-N 1 0 473.666 3.109 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)c2ccccc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302248078 1066779578 /nfs/dbraw/zinc/77/95/78/1066779578.db2.gz KWMMSJSIVMHRFI-XWGVYQGASA-N 1 0 485.673 3.477 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(F)cc3Br)n2CC2([NH+](C)C)CCC2)C1 ZINC001301818941 1066779675 /nfs/dbraw/zinc/77/96/75/1066779675.db2.gz PUAURFGDWIVHTR-QGZVFWFLSA-N 1 0 493.425 3.436 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC[N@H+]1CC=CCC1 ZINC001302248397 1066781038 /nfs/dbraw/zinc/78/10/38/1066781038.db2.gz LRMJETLEZGUSSS-UWJYYQICSA-N 1 0 465.520 3.318 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(F)(F)F)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001302248869 1066781908 /nfs/dbraw/zinc/78/19/08/1066781908.db2.gz XKRNQILOXQMNET-ROUUACIJSA-N 1 0 475.556 3.036 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(C)cs2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302248947 1066782462 /nfs/dbraw/zinc/78/24/62/1066782462.db2.gz ZSNRPANLVSRQOD-JLMWRMLUSA-N 1 0 465.689 3.446 20 0 JGADRO COCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301822783 1066784436 /nfs/dbraw/zinc/78/44/36/1066784436.db2.gz STDGCYOELNTYGT-UHFFFAOYSA-N 1 0 465.440 3.393 20 0 JGADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001301824888 1066787712 /nfs/dbraw/zinc/78/77/12/1066787712.db2.gz PBYMSOJUZGBZFX-YADHBBJMSA-N 1 0 453.635 3.121 20 0 JGADRO CC(C)(C)OC(=O)NCC(F)(F)Cn1c(C2CCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302251971 1066788001 /nfs/dbraw/zinc/78/80/01/1066788001.db2.gz IYUAMCLSXSNOMD-GOSISDBHSA-N 1 0 498.619 3.254 20 0 JGADRO COCCn1c(-c2ccc(Br)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001301825820 1066788096 /nfs/dbraw/zinc/78/80/96/1066788096.db2.gz VLNUVBBGZWAEDR-UHFFFAOYSA-N 1 0 491.478 3.349 20 0 JGADRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001302251944 1066788293 /nfs/dbraw/zinc/78/82/93/1066788293.db2.gz AUPCZRTYWQKBNI-NRFANRHFSA-N 1 0 499.660 3.194 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001301826397 1066790420 /nfs/dbraw/zinc/79/04/20/1066790420.db2.gz DGVQVSRAYJTJRB-SFYKDHMMSA-N 1 0 486.636 3.001 20 0 JGADRO COCCn1c(-c2ccc(Br)s2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001301827399 1066792559 /nfs/dbraw/zinc/79/25/59/1066792559.db2.gz HFTKJFZNSLWCRR-IRXDYDNUSA-N 1 0 497.507 3.410 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301829334 1066794908 /nfs/dbraw/zinc/79/49/08/1066794908.db2.gz OMNSOFBKPMKYBN-PQNGQFLHSA-N 1 0 452.647 3.289 20 0 JGADRO 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COCC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001301896075 1066918247 /nfs/dbraw/zinc/91/82/47/1066918247.db2.gz FADZFBHPEUAHNU-MSOLQXFVSA-N 1 0 484.542 3.125 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCSC[C@@H]2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001302320954 1066919011 /nfs/dbraw/zinc/91/90/11/1066919011.db2.gz LIEWGFAPXZPLLX-WJMWBRGCSA-N 1 0 451.681 3.454 20 0 JGADRO COC[C@H]1[C@@H]2CN(c3nnc(-c4cc(OC)ccc4Br)n3C[C@@H](C)[NH+](C)C)CC[C@H]12 ZINC001302321642 1066919074 /nfs/dbraw/zinc/91/90/74/1066919074.db2.gz ILCPBHSJVDGGLH-IWKCEXAMSA-N 1 0 478.435 3.385 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001301896711 1066920154 /nfs/dbraw/zinc/92/01/54/1066920154.db2.gz WTSPJFRUBLRVAE-FQEVSTJZSA-N 1 0 494.644 3.019 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC001301898763 1066923048 /nfs/dbraw/zinc/92/30/48/1066923048.db2.gz OVHGDEUXLLEYCS-INIZCTEOSA-N 1 0 464.492 3.377 20 0 JGADRO 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CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001301904637 1066930485 /nfs/dbraw/zinc/93/04/85/1066930485.db2.gz UGIQIENQXXTLEJ-DENIHFKCSA-N 1 0 475.037 3.060 20 0 JGADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCCCC[NH+]1CCCC1 ZINC001302330493 1066931115 /nfs/dbraw/zinc/93/11/15/1066931115.db2.gz RAOMOLBBAINMOA-YPAWHYETSA-N 1 0 495.734 3.476 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C3CCC3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC001301906809 1066931319 /nfs/dbraw/zinc/93/13/19/1066931319.db2.gz GLLXCAUCICDZJO-IBGZPJMESA-N 1 0 474.650 3.270 20 0 JGADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001302331262 1066931461 /nfs/dbraw/zinc/93/14/61/1066931461.db2.gz ZZXUUVZBQLVXHG-NHCUHLMSSA-N 1 0 468.646 3.264 20 0 JGADRO CC(C)(Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)CC1)[NH+]1CCCCC1 ZINC001302334640 1066934027 /nfs/dbraw/zinc/93/40/27/1066934027.db2.gz KKEQZZXUNRNZNK-UHFFFAOYSA-N 1 0 475.435 3.298 20 0 JGADRO CC(=O)NC[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001301911196 1066936922 /nfs/dbraw/zinc/93/69/22/1066936922.db2.gz HWTPNGHAXIYTRX-PQNGQFLHSA-N 1 0 474.694 3.110 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(C)ccc2OC)C[C@H]1C ZINC001301911616 1066937528 /nfs/dbraw/zinc/93/75/28/1066937528.db2.gz IEDQHIVKSYMEQJ-NFBKMPQASA-N 1 0 457.619 3.236 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001301911878 1066938280 /nfs/dbraw/zinc/93/82/80/1066938280.db2.gz NMWJLZMRSBZFRO-WOJBJXKFSA-N 1 0 478.682 3.423 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001301912660 1066939861 /nfs/dbraw/zinc/93/98/61/1066939861.db2.gz LWUOMWLZSZUISV-YLJYHZDGSA-N 1 0 482.551 3.333 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCOc2ccccc2C)C[C@H]1C ZINC001301912654 1066939914 /nfs/dbraw/zinc/93/99/14/1066939914.db2.gz LVDZEFPFDBZCSB-YADHBBJMSA-N 1 0 457.619 3.107 20 0 JGADRO 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Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001304011479 1067054331 /nfs/dbraw/zinc/05/43/31/1067054331.db2.gz SSBRDYAIDMZUPU-TZIWHRDSSA-N 1 0 495.672 3.326 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001304012524 1067056037 /nfs/dbraw/zinc/05/60/37/1067056037.db2.gz FRXSDRKJHAWYMH-TZIWHRDSSA-N 1 0 454.619 3.348 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001302457711 1067060508 /nfs/dbraw/zinc/06/05/08/1067060508.db2.gz BAOFXPYHTWGTCV-RTWAWAEBSA-N 1 0 472.634 3.201 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001302458850 1067061924 /nfs/dbraw/zinc/06/19/24/1067061924.db2.gz IXJJUEURGRMHFE-QHCPKHFHSA-N 1 0 467.662 3.269 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[NH+]2CCC(C)CC2)c1C ZINC001304021907 1067065875 /nfs/dbraw/zinc/06/58/75/1067065875.db2.gz AHZXIEGYQJXMIQ-FCHUYYIVSA-N 1 0 468.646 3.469 20 0 JGADRO CC(C)C(=O)NCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001302462434 1067065928 /nfs/dbraw/zinc/06/59/28/1067065928.db2.gz IEIVFUXUVWGFDH-GOSISDBHSA-N 1 0 475.037 3.376 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1C ZINC001304022494 1067066277 /nfs/dbraw/zinc/06/62/77/1067066277.db2.gz WCRHSTITRBEHCS-RTWAWAEBSA-N 1 0 468.646 3.469 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC001304023321 1067068102 /nfs/dbraw/zinc/06/81/02/1067068102.db2.gz LOBRFVUFUCAHFN-MZYLBHOOSA-N 1 0 498.672 3.238 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304023531 1067068866 /nfs/dbraw/zinc/06/88/66/1067068866.db2.gz NKRYCBLGYBIRDD-HMXCVIKNSA-N 1 0 468.646 3.480 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC(Cn4cncn4)CC3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304024542 1067069868 /nfs/dbraw/zinc/06/98/68/1067069868.db2.gz SJBLASCGUVWWJC-PZJWPPBQSA-N 1 0 466.634 3.493 20 0 JGADRO CC(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001302467837 1067071515 /nfs/dbraw/zinc/07/15/15/1067071515.db2.gz CDXHGFMKCVLNAH-QFIPXVFZSA-N 1 0 475.641 3.137 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCn2cc(CO)nn2)c1C ZINC001304026420 1067073677 /nfs/dbraw/zinc/07/36/77/1067073677.db2.gz SDURNJODTWVOBB-JOCHJYFZSA-N 1 0 496.660 3.130 20 0 JGADRO CC(C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001302470008 1067073814 /nfs/dbraw/zinc/07/38/14/1067073814.db2.gz FIDMUBXFEZTNJT-HSZRJFAPSA-N 1 0 452.647 3.494 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C4CCC4)CC3)n2CC(=O)NCC(F)(F)F)c1C ZINC001304027675 1067074714 /nfs/dbraw/zinc/07/47/14/1067074714.db2.gz AOINISDLHGJIPO-GOSISDBHSA-N 1 0 494.562 3.388 20 0 JGADRO CC(C)C(=O)NCCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001302470754 1067075083 /nfs/dbraw/zinc/07/50/83/1067075083.db2.gz QKYRGDLTZYMTCB-UHFFFAOYSA-N 1 0 456.610 3.235 20 0 JGADRO CC1=C(C)CN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001304031335 1067079750 /nfs/dbraw/zinc/07/97/50/1067079750.db2.gz FNAMRHDEOPURNT-LJQANCHMSA-N 1 0 452.422 3.382 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCC(=O)N2)c1C ZINC001304031991 1067080685 /nfs/dbraw/zinc/08/06/85/1067080685.db2.gz YUKJEDQSCPHOET-LEWJYISDSA-N 1 0 454.619 3.092 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)c1C ZINC001304032145 1067081214 /nfs/dbraw/zinc/08/12/14/1067081214.db2.gz ZZIHMNUEJVDJSZ-SIKLNZKXSA-N 1 0 468.646 3.483 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001302483151 1067082088 /nfs/dbraw/zinc/08/20/88/1067082088.db2.gz BFDJFAQTPNMSHH-RUZDIDTESA-N 1 0 469.609 3.289 20 0 JGADRO Cc1nc(CN2CCN(c3nnc([C@H]4CCCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)oc1C ZINC001304041596 1067085181 /nfs/dbraw/zinc/08/51/81/1067085181.db2.gz LXTZOJCAPLYMSV-VXKWHMMOSA-N 1 0 473.666 3.075 20 0 JGADRO Cc1nc(CN2CCN(c3nnc([C@H]4CCCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)oc1C ZINC001304041594 1067085300 /nfs/dbraw/zinc/08/53/00/1067085300.db2.gz LXTZOJCAPLYMSV-FCHUYYIVSA-N 1 0 473.666 3.075 20 0 JGADRO CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041951 1067085902 /nfs/dbraw/zinc/08/59/02/1067085902.db2.gz AHZPXPPEXDXUCG-ROUUACIJSA-N 1 0 454.384 3.429 20 0 JGADRO Cc1nc([C@@H]2CCCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(C)(C)C[NH+](C)C)C2)sc1C ZINC001304044200 1067086513 /nfs/dbraw/zinc/08/65/13/1067086513.db2.gz CUGPJXSWIQENOT-MOPGFXCFSA-N 1 0 494.731 3.225 20 0 JGADRO Cc1nc([C@H]2CCCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(C)(C)C[NH+](C)C)C2)sc1C ZINC001304044207 1067086803 /nfs/dbraw/zinc/08/68/03/1067086803.db2.gz CUGPJXSWIQENOT-RBUKOAKNSA-N 1 0 494.731 3.225 20 0 JGADRO Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCC[C@@H]3C)C2)sc1C ZINC001304045431 1067087952 /nfs/dbraw/zinc/08/79/52/1067087952.db2.gz PQVKQYSPPUZADG-LPHOPBHVSA-N 1 0 459.664 3.358 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001302488556 1067088343 /nfs/dbraw/zinc/08/83/43/1067088343.db2.gz PCTUHGHQAWOXBE-MUUNZHRXSA-N 1 0 496.700 3.394 20 0 JGADRO Cc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)sc1C ZINC001304046236 1067089297 /nfs/dbraw/zinc/08/92/97/1067089297.db2.gz PCSDQUCJGBEKSX-IBGZPJMESA-N 1 0 459.664 3.102 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001302494990 1067093856 /nfs/dbraw/zinc/09/38/56/1067093856.db2.gz CAQGKIFNJZFCSP-BWKNWUBXSA-N 1 0 459.610 3.431 20 0 JGADRO CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001302494999 1067094172 /nfs/dbraw/zinc/09/41/72/1067094172.db2.gz CAQGKIFNJZFCSP-PXDATVDWSA-N 1 0 459.610 3.431 20 0 JGADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@@H+](C)C(C)C ZINC001304057278 1067097806 /nfs/dbraw/zinc/09/78/06/1067097806.db2.gz MAEQCFAGOBZYRB-QGZVFWFLSA-N 1 0 467.643 3.384 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCCO[C@@H](C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304059657 1067102895 /nfs/dbraw/zinc/10/28/95/1067102895.db2.gz SFHAICZEABOOMB-AZUAARDMSA-N 1 0 491.706 3.138 20 0 JGADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(F)c(Br)cc2C1 ZINC001304059913 1067103515 /nfs/dbraw/zinc/10/35/15/1067103515.db2.gz JEKXZPOGKXHUTB-QGZVFWFLSA-N 1 0 458.372 3.318 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302506247 1067108708 /nfs/dbraw/zinc/10/87/08/1067108708.db2.gz WRINGFCWFHIXAT-CEYNDMKZSA-N 1 0 476.666 3.130 20 0 JGADRO C[S@](=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC001302508979 1067114140 /nfs/dbraw/zinc/11/41/40/1067114140.db2.gz WTJGZLYCPHBECJ-YTTGMZPUSA-N 1 0 465.708 3.249 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001302509830 1067115949 /nfs/dbraw/zinc/11/59/49/1067115949.db2.gz HOBHOEGFBHTUSJ-FUDKSRODSA-N 1 0 474.694 3.424 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001302509833 1067116635 /nfs/dbraw/zinc/11/66/35/1067116635.db2.gz HOBHOEGFBHTUSJ-QNWVGRARSA-N 1 0 474.694 3.424 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001302510588 1067118797 /nfs/dbraw/zinc/11/87/97/1067118797.db2.gz MJYJGBCHCPQWNR-XJUOHMSHSA-N 1 0 474.694 3.280 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[NH+]1CCCC1 ZINC001304076150 1067119945 /nfs/dbraw/zinc/11/99/45/1067119945.db2.gz GSLVSUVRCCEMFZ-UHFFFAOYSA-N 1 0 474.034 3.359 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001302511113 1067120493 /nfs/dbraw/zinc/12/04/93/1067120493.db2.gz QDHVPSUIZRJIAL-HXUWFJFHSA-N 1 0 476.710 3.355 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCCCC2)CC1 ZINC001302511137 1067121239 /nfs/dbraw/zinc/12/12/39/1067121239.db2.gz QPVLVLVWMDHFQD-IRLDBZIGSA-N 1 0 460.667 3.383 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCCC(C)(C)C2)cnn1C ZINC001304078872 1067123775 /nfs/dbraw/zinc/12/37/75/1067123775.db2.gz RWUZHNPDAIWVCD-UHFFFAOYSA-N 1 0 499.685 3.149 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001302512823 1067125537 /nfs/dbraw/zinc/12/55/37/1067125537.db2.gz GOPQKQSXBWLUFQ-KXBFYZLASA-N 1 0 493.425 3.279 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001302512499 1067125589 /nfs/dbraw/zinc/12/55/89/1067125589.db2.gz DEAHWBYTZXZECI-OAQYLSRUSA-N 1 0 458.010 3.325 20 0 JGADRO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cnn1C ZINC001304080172 1067125662 /nfs/dbraw/zinc/12/56/62/1067125662.db2.gz RAQAFFBFUBLMSB-URXFXBBRSA-N 1 0 487.674 3.361 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001302513050 1067127034 /nfs/dbraw/zinc/12/70/34/1067127034.db2.gz HETGIFWDXCZAPK-FXAWDEMLSA-N 1 0 478.435 3.290 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCCC1 ZINC001302513315 1067127354 /nfs/dbraw/zinc/12/73/54/1067127354.db2.gz IIAMBTYSUKIGMU-HXUWFJFHSA-N 1 0 476.572 3.369 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@H]1C)[NH+]1CCOCC1 ZINC001302514126 1067130041 /nfs/dbraw/zinc/13/00/41/1067130041.db2.gz OBTMUMUMYNSOJX-APWZRJJASA-N 1 0 497.507 3.345 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3ccccn3)n2Cc2cccc(OCC[NH+](C)C)c2)cnn1C ZINC001304083621 1067130163 /nfs/dbraw/zinc/13/01/63/1067130163.db2.gz LYWDYSWFZGKYMV-UHFFFAOYSA-N 1 0 460.586 3.007 20 0 JGADRO Cc1ncsc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304087737 1067132196 /nfs/dbraw/zinc/13/21/96/1067132196.db2.gz FSQWYMGZHFYPGB-NUJGCVRESA-N 1 0 459.664 3.387 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001302515141 1067132835 /nfs/dbraw/zinc/13/28/35/1067132835.db2.gz IRNVZCJWBPFDKO-XMSQKQJNSA-N 1 0 472.659 3.416 20 0 JGADRO CSC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302517153 1067136265 /nfs/dbraw/zinc/13/62/65/1067136265.db2.gz UZLJGDLNAYINEL-UHFFFAOYSA-N 1 0 492.715 3.012 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302517694 1067136924 /nfs/dbraw/zinc/13/69/24/1067136924.db2.gz AVYGGOVIQHXAJE-NZQKXSOJSA-N 1 0 498.594 3.170 20 0 JGADRO CSC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001302517369 1067136974 /nfs/dbraw/zinc/13/69/74/1067136974.db2.gz XUBJDGGCWMODGI-UHFFFAOYSA-N 1 0 495.715 3.037 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302518752 1067137738 /nfs/dbraw/zinc/13/77/38/1067137738.db2.gz IATCIDSYJDRSIA-MJGOQNOKSA-N 1 0 453.557 3.466 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)cnn1C ZINC001304097309 1067138742 /nfs/dbraw/zinc/13/87/42/1067138742.db2.gz LUYUASLGQYDKCQ-UHFFFAOYSA-N 1 0 488.036 3.036 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001302519205 1067138958 /nfs/dbraw/zinc/13/89/58/1067138958.db2.gz MDIDHFFSRMGGMX-WSTZPKSXSA-N 1 0 450.578 3.368 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302519208 1067139012 /nfs/dbraw/zinc/13/90/12/1067139012.db2.gz MDOPGEWWCWOFNN-RBBKRZOGSA-N 1 0 499.660 3.048 20 0 JGADRO Cc1occc1CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCC[NH+](C)C ZINC001304097697 1067139419 /nfs/dbraw/zinc/13/94/19/1067139419.db2.gz DXLBKMNFOAOBON-FQEVSTJZSA-N 1 0 476.622 3.466 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302520324 1067140187 /nfs/dbraw/zinc/14/01/87/1067140187.db2.gz UGWBCTINGASPGX-ICSRJNTNSA-N 1 0 457.623 3.497 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)cnn1C ZINC001304098685 1067141748 /nfs/dbraw/zinc/14/17/48/1067141748.db2.gz SAIRFZCMZKCOKQ-LJQANCHMSA-N 1 0 485.608 3.175 20 0 JGADRO Cc1ncsc1CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C ZINC001304098914 1067141758 /nfs/dbraw/zinc/14/17/58/1067141758.db2.gz URIIIGFDXODRFV-OIISXLGYSA-N 1 0 463.652 3.400 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[NH+]1CCCC1 ZINC001302522303 1067142266 /nfs/dbraw/zinc/14/22/66/1067142266.db2.gz DURKZGMJSGEKDS-HLLZYUAFSA-N 1 0 459.660 3.276 20 0 JGADRO Cc1ccsc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001304099069 1067142240 /nfs/dbraw/zinc/14/22/40/1067142240.db2.gz SVRHGSYXDJYJSX-UHFFFAOYSA-N 1 0 474.675 3.163 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCCC1 ZINC001302523408 1067144622 /nfs/dbraw/zinc/14/46/22/1067144622.db2.gz JNNUFBNJKIFZPN-UTKZUKDTSA-N 1 0 476.572 3.256 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302523941 1067145055 /nfs/dbraw/zinc/14/50/55/1067145055.db2.gz MGDROEXYNSBCCH-VQTJNVASSA-N 1 0 464.655 3.252 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1)[NH+]1CCCC1 ZINC001302523887 1067145136 /nfs/dbraw/zinc/14/51/36/1067145136.db2.gz LPMLXHCNJCZCFX-DHIUTWEWSA-N 1 0 476.710 3.087 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001302525241 1067147301 /nfs/dbraw/zinc/14/73/01/1067147301.db2.gz LYCADPPLIGCNJB-FCHUYYIVSA-N 1 0 483.661 3.488 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](C(C)C)CC1)N1CCOCC1 ZINC001302525603 1067148615 /nfs/dbraw/zinc/14/86/15/1067148615.db2.gz ONGLUGQWTMSKSO-DEOSSOPVSA-N 1 0 472.653 3.285 20 0 JGADRO CC(C)[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCCC1 ZINC001302527196 1067153060 /nfs/dbraw/zinc/15/30/60/1067153060.db2.gz AJOURSDSFFIFPF-JTHBVZDNSA-N 1 0 452.647 3.241 20 0 JGADRO CC(C)[C@H](Cn1c(N(C)CCS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1)[NH+]1CCCC1 ZINC001302528950 1067157096 /nfs/dbraw/zinc/15/70/96/1067157096.db2.gz OTOUEPIYHAGHGA-QFIPXVFZSA-N 1 0 473.687 3.349 20 0 JGADRO 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Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001304133859 1067172490 /nfs/dbraw/zinc/17/24/90/1067172490.db2.gz OSIJEHNUFCRXLG-NRFANRHFSA-N 1 0 483.661 3.228 20 0 JGADRO CS[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001302542125 1067173799 /nfs/dbraw/zinc/17/37/99/1067173799.db2.gz RJEJKLIBCBSGGQ-QGZVFWFLSA-N 1 0 465.067 3.391 20 0 JGADRO COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001304136443 1067174905 /nfs/dbraw/zinc/17/49/05/1067174905.db2.gz ZSLXKUWYRDBIMA-CLOONOSVSA-N 1 0 452.530 3.136 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H](C)[NH+](C)C ZINC001304138423 1067178136 /nfs/dbraw/zinc/17/81/36/1067178136.db2.gz FLOVIBLVOLJNGC-IAGOWNOFSA-N 1 0 472.055 3.119 20 0 JGADRO CC(C)c1nc([C@@H]2CCCN(c3nnc(-c4cnccn4)n3CCC[N@@H+](C)C(C)C)C2)no1 ZINC001302545553 1067179458 /nfs/dbraw/zinc/17/94/58/1067179458.db2.gz OLLSPBCKGHHXHW-GOSISDBHSA-N 1 0 453.595 3.356 20 0 JGADRO 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CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302560523 1067201004 /nfs/dbraw/zinc/20/10/04/1067201004.db2.gz ADDXYBRCUJHYTA-FXAWDEMLSA-N 1 0 462.664 3.367 20 0 JGADRO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302560529 1067201271 /nfs/dbraw/zinc/20/12/71/1067201271.db2.gz ADDXYBRCUJHYTA-YLJYHZDGSA-N 1 0 462.664 3.367 20 0 JGADRO CS[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001302565032 1067203883 /nfs/dbraw/zinc/20/38/83/1067203883.db2.gz UVHYFMYQZYJXMR-HXUWFJFHSA-N 1 0 457.692 3.010 20 0 JGADRO CS[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001302565382 1067204301 /nfs/dbraw/zinc/20/43/01/1067204301.db2.gz ZKDYTKWVZLJKME-SFHVURJKSA-N 1 0 457.623 3.205 20 0 JGADRO CS[C@H](C)Cn1c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001302570095 1067209185 /nfs/dbraw/zinc/20/91/85/1067209185.db2.gz PSJNHYDLHVRHSX-PWHSHALESA-N 1 0 451.681 3.381 20 0 JGADRO CC(C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001302571343 1067210744 /nfs/dbraw/zinc/21/07/44/1067210744.db2.gz NSVMZVDGGDGCQD-UUWRZZSWSA-N 1 0 483.686 3.126 20 0 JGADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C2CC2)[NH+](C)C)c(C)c1 ZINC001304163944 1067210832 /nfs/dbraw/zinc/21/08/32/1067210832.db2.gz KRPUAAIKXJHEIT-LEWJYISDSA-N 1 0 454.619 3.122 20 0 JGADRO C[N@@H+]1CC[C@H]2CN(C(=O)C[C@@H](Cc3cc(F)c(F)cc3F)NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC001302574628 1067213603 /nfs/dbraw/zinc/21/36/03/1067213603.db2.gz NNHPGGUKNFGZPK-NBQZKYEYSA-N 1 0 455.521 3.482 20 0 JGADRO CS[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)(C)C ZINC001302579991 1067217798 /nfs/dbraw/zinc/21/77/98/1067217798.db2.gz LDFYUOLLRBRYTM-RTWAWAEBSA-N 1 0 465.708 3.498 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001304171582 1067219613 /nfs/dbraw/zinc/21/96/13/1067219613.db2.gz SAUKTWHQHZMJMX-FGZHOGPDSA-N 1 0 468.646 3.405 20 0 JGADRO 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CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001302678550 1067304470 /nfs/dbraw/zinc/30/44/70/1067304470.db2.gz OKOAVDPOHPNYCW-FGZHOGPDSA-N 1 0 458.676 3.223 20 0 JGADRO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302679334 1067305209 /nfs/dbraw/zinc/30/52/09/1067305209.db2.gz KBKVFLWLUMOMKZ-FCHUYYIVSA-N 1 0 473.710 3.091 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304270749 1067305608 /nfs/dbraw/zinc/30/56/08/1067305608.db2.gz FCLCJYLZSDFCOX-HSZRJFAPSA-N 1 0 498.672 3.068 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC001304270893 1067305860 /nfs/dbraw/zinc/30/58/60/1067305860.db2.gz AXAIMCBVQKVEGM-URVUXULASA-N 1 0 474.675 3.270 20 0 JGADRO Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]3OCC[C@@H]3C2)[NH+](C)C)cc1 ZINC001304271917 1067307539 /nfs/dbraw/zinc/30/75/39/1067307539.db2.gz GNYFPKRUBLQBIX-FSSWDIPSSA-N 1 0 454.619 3.033 20 0 JGADRO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[NH+]2CCCC2)c1 ZINC001304272949 1067309008 /nfs/dbraw/zinc/30/90/08/1067309008.db2.gz IGCKFTZVWJZZGR-NRFANRHFSA-N 1 0 468.646 3.477 20 0 JGADRO Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC(C)(C)OC(C)(C)C2)[NH+](C)C)cc1 ZINC001304273260 1067309339 /nfs/dbraw/zinc/30/93/39/1067309339.db2.gz JOBYOWDMKRPIAH-FQEVSTJZSA-N 1 0 456.635 3.421 20 0 JGADRO Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)CC2)n1 ZINC001304273412 1067309849 /nfs/dbraw/zinc/30/98/49/1067309849.db2.gz KKAOASQKTIYOOK-OAQYLSRUSA-N 1 0 494.644 3.277 20 0 JGADRO Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001304274959 1067311971 /nfs/dbraw/zinc/31/19/71/1067311971.db2.gz OUWGWZDRDZZIKP-LEWJYISDSA-N 1 0 451.575 3.082 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001302688568 1067313098 /nfs/dbraw/zinc/31/30/98/1067313098.db2.gz AWOLBFCYNSVFLI-PKTZIBPZSA-N 1 0 473.710 3.189 20 0 JGADRO Cc1ccc([C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(CC(N)=O)CC2)[NH+](C)C)cc1 ZINC001304275482 1067313305 /nfs/dbraw/zinc/31/33/05/1067313305.db2.gz QDYUSIZNAHLYJH-HSZRJFAPSA-N 1 0 461.614 3.352 20 0 JGADRO CSCc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001302689378 1067313903 /nfs/dbraw/zinc/31/39/03/1067313903.db2.gz LJSJCDWGQFAUFT-NRFANRHFSA-N 1 0 491.727 3.402 20 0 JGADRO Cc1ccc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001304276732 1067315449 /nfs/dbraw/zinc/31/54/49/1067315449.db2.gz UQPCVCFVQMNDOX-QFIPXVFZSA-N 1 0 452.647 3.333 20 0 JGADRO Cc1ccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC001304277018 1067315559 /nfs/dbraw/zinc/31/55/59/1067315559.db2.gz XNEVFNBZXVQSQE-NZQKXSOJSA-N 1 0 482.654 3.355 20 0 JGADRO Cc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)CS(C)(=O)=O)[NH+]2CCCC2)cc1 ZINC001304277019 1067315771 /nfs/dbraw/zinc/31/57/71/1067315771.db2.gz XNEVFNBZXVQSQE-OFNKIYASSA-N 1 0 482.654 3.355 20 0 JGADRO 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Cc1ccc([C@H](Cn2c(N3CCCOCC3)nnc2[C@]2(OC(C)C)CCOC2)[NH+](C)C)cc1 ZINC001304278388 1067317638 /nfs/dbraw/zinc/31/76/38/1067317638.db2.gz ONEZEOHOYSARFP-DHLKQENFSA-N 1 0 457.619 3.157 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)[NH+](C)C)cc1 ZINC001304278589 1067318689 /nfs/dbraw/zinc/31/86/89/1067318689.db2.gz NCEFQBSVXAWLFN-NRSPTQNISA-N 1 0 480.579 3.466 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001302695012 1067320456 /nfs/dbraw/zinc/32/04/56/1067320456.db2.gz DDAMICGCFORKOX-YWZLYKJASA-N 1 0 484.439 3.245 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC001304280943 1067321315 /nfs/dbraw/zinc/32/13/15/1067321315.db2.gz APPDVHLKQRIZQF-FGZHOGPDSA-N 1 0 468.646 3.296 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001302696122 1067321501 /nfs/dbraw/zinc/32/15/01/1067321501.db2.gz LNJDZDULEZIRJR-ZRCGQRJVSA-N 1 0 451.681 3.382 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001302696120 1067321701 /nfs/dbraw/zinc/32/17/01/1067321701.db2.gz LNJDZDULEZIRJR-QTEQDKRBSA-N 1 0 451.681 3.382 20 0 JGADRO CC(C)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302697853 1067323350 /nfs/dbraw/zinc/32/33/50/1067323350.db2.gz BJAYRMQFHGXEGZ-CTNGQTDRSA-N 1 0 479.572 3.428 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001302698694 1067323790 /nfs/dbraw/zinc/32/37/90/1067323790.db2.gz MOQFVJFFSGYGDR-FQEVSTJZSA-N 1 0 475.581 3.462 20 0 JGADRO CC(C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001302699304 1067324520 /nfs/dbraw/zinc/32/45/20/1067324520.db2.gz PVKWGDBTACICES-ROKPMTFOSA-N 1 0 460.692 3.366 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001302700559 1067325227 /nfs/dbraw/zinc/32/52/27/1067325227.db2.gz VOUPSRRRUGDCOG-UHFFFAOYSA-N 1 0 484.645 3.326 20 0 JGADRO 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CSC[C@@H]1CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+](C)C)CCC1 ZINC001302707362 1067329200 /nfs/dbraw/zinc/32/92/00/1067329200.db2.gz PWAAPUNCFVRURY-OALUTQOASA-N 1 0 494.706 3.403 20 0 JGADRO CSC[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302708178 1067329591 /nfs/dbraw/zinc/32/95/91/1067329591.db2.gz VRZUJCCRVFQIQA-BVSLBCMMSA-N 1 0 491.727 3.423 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[NH+]2CCCCCC2)c1 ZINC001304288337 1067331771 /nfs/dbraw/zinc/33/17/71/1067331771.db2.gz FWSPCVZUYRSQAI-NRFANRHFSA-N 1 0 454.619 3.017 20 0 JGADRO CC(C)c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302711989 1067332975 /nfs/dbraw/zinc/33/29/75/1067332975.db2.gz JPLCEEDWSPIWHR-JTHBVZDNSA-N 1 0 451.619 3.414 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCNC(=O)c2ccco2)c1 ZINC001304289110 1067333780 /nfs/dbraw/zinc/33/37/80/1067333780.db2.gz NZRMEZQHHLSEER-UHFFFAOYSA-N 1 0 480.613 3.417 20 0 JGADRO 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CC(C)c1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCC3)CC2)n1 ZINC001302725645 1067341687 /nfs/dbraw/zinc/34/16/87/1067341687.db2.gz QPFVVPANGUJUAX-IBGZPJMESA-N 1 0 458.655 3.352 20 0 JGADRO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001304292830 1067341771 /nfs/dbraw/zinc/34/17/71/1067341771.db2.gz XGPAUWUMDPMVOF-UHFFFAOYSA-N 1 0 478.641 3.307 20 0 JGADRO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1Cc1ccccc1 ZINC001302727849 1067343683 /nfs/dbraw/zinc/34/36/83/1067343683.db2.gz UKHLDRGGRKZZQQ-NNWRFLSQSA-N 1 0 491.727 3.423 20 0 JGADRO CSCC[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N1CCOCC1 ZINC001302727837 1067343884 /nfs/dbraw/zinc/34/38/84/1067343884.db2.gz UHPZBOJOHMTNIC-SJORKVTESA-N 1 0 453.603 3.446 20 0 JGADRO CSCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001302727847 1067343927 /nfs/dbraw/zinc/34/39/27/1067343927.db2.gz UKHLDRGGRKZZQQ-ILWGZMRPSA-N 1 0 491.727 3.423 20 0 JGADRO Cc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001304295101 1067344192 /nfs/dbraw/zinc/34/41/92/1067344192.db2.gz XWKROLNCWSCSRJ-FGTMMUONSA-N 1 0 451.637 3.084 20 0 JGADRO CC(C)[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001302729606 1067344564 /nfs/dbraw/zinc/34/45/64/1067344564.db2.gz FCWJHXYRSVNDKF-RBBKRZOGSA-N 1 0 454.619 3.090 20 0 JGADRO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001304295542 1067344566 /nfs/dbraw/zinc/34/45/66/1067344566.db2.gz DOCVMCXTZKLOCT-RWQQGDIJSA-N 1 0 451.637 3.225 20 0 JGADRO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001304295538 1067344670 /nfs/dbraw/zinc/34/46/70/1067344670.db2.gz DOCVMCXTZKLOCT-DKKFBQAASA-N 1 0 451.637 3.225 20 0 JGADRO Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@H+](C)C(C)C)cc1Br ZINC001304295409 1067344731 /nfs/dbraw/zinc/34/47/31/1067344731.db2.gz FUTFQSQDLBXXJX-UHFFFAOYSA-N 1 0 465.440 3.317 20 0 JGADRO Cc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001304297594 1067346555 /nfs/dbraw/zinc/34/65/55/1067346555.db2.gz XZPOQRKRJMEYKY-ROUUACIJSA-N 1 0 455.607 3.333 20 0 JGADRO CC(C)[C@H]1CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001302732536 1067346854 /nfs/dbraw/zinc/34/68/54/1067346854.db2.gz WFZMTWCIABXYCO-LVXARBLLSA-N 1 0 490.693 3.332 20 0 JGADRO Cc1ccc(-c2nnc(N(C)Cc3cccc(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)o1 ZINC001304301281 1067349770 /nfs/dbraw/zinc/34/97/70/1067349770.db2.gz SWLRRWXAJUUORZ-NRFANRHFSA-N 1 0 460.376 3.312 20 0 JGADRO Cc1ccc(-c2nnc(N(C)CCN3CCOCC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001304304465 1067352278 /nfs/dbraw/zinc/35/22/78/1067352278.db2.gz MMZZEKSDAMUBMI-BGYRXZFFSA-N 1 0 458.651 3.371 20 0 JGADRO CSCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001302743523 1067353034 /nfs/dbraw/zinc/35/30/34/1067353034.db2.gz WNRIYLWTGRKZOL-UHFFFAOYSA-N 1 0 491.750 3.042 20 0 JGADRO Cc1ccc(-c2nnc(N(C)CCNC(=O)C(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)o1 ZINC001304305102 1067353392 /nfs/dbraw/zinc/35/33/92/1067353392.db2.gz ZLMDCWPMHAHSJR-UHFFFAOYSA-N 1 0 486.661 3.338 20 0 JGADRO Cc1ccc(-c2nnc(N3C[C@H](N4CCOCC4)[C@@H](C)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001304308666 1067356174 /nfs/dbraw/zinc/35/61/74/1067356174.db2.gz QNDQFLMAYSCHCS-WFXMLNOXSA-N 1 0 491.478 3.123 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2CC[N@@H+](C)C(C)C)o1 ZINC001304310908 1067358525 /nfs/dbraw/zinc/35/85/25/1067358525.db2.gz JDMCHPZMHCBJMZ-UHFFFAOYSA-N 1 0 456.513 3.082 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)n2CCC[NH+](C(C)C)C(C)C)o1 ZINC001304312953 1067360238 /nfs/dbraw/zinc/36/02/38/1067360238.db2.gz RYSLBTZVLXBARD-VWLOTQADSA-N 1 0 485.633 3.170 20 0 JGADRO CC(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001302755995 1067360475 /nfs/dbraw/zinc/36/04/75/1067360475.db2.gz GNFWBPNOCOFTQZ-QHCPKHFHSA-N 1 0 468.646 3.285 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ncn(C)n2)cc1Br ZINC001304314361 1067361498 /nfs/dbraw/zinc/36/14/98/1067361498.db2.gz BARGBHCYEHFAPR-UHFFFAOYSA-N 1 0 473.423 3.160 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2COCCO2)cc1Br ZINC001304314412 1067361957 /nfs/dbraw/zinc/36/19/57/1067361957.db2.gz DEVOZZKSUUOAPS-LJQANCHMSA-N 1 0 478.435 3.398 20 0 JGADRO CC(C)[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCC[NH+](C)C)C1 ZINC001302758756 1067362332 /nfs/dbraw/zinc/36/23/32/1067362332.db2.gz WVQPMVNXYNYNCP-NRFANRHFSA-N 1 0 478.682 3.453 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCCC1 ZINC001302762300 1067363871 /nfs/dbraw/zinc/36/38/71/1067363871.db2.gz QCDNNEKEUPUHEB-NHCUHLMSSA-N 1 0 451.681 3.173 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1Br ZINC001304316412 1067363879 /nfs/dbraw/zinc/36/38/79/1067363879.db2.gz AOBXGWGBIRWIJW-HSZRJFAPSA-N 1 0 489.462 3.415 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)o1 ZINC001304316291 1067364053 /nfs/dbraw/zinc/36/40/53/1067364053.db2.gz KPYQQEAHJIXGRM-VQTJNVASSA-N 1 0 488.633 3.187 20 0 JGADRO Cc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304316805 1067364234 /nfs/dbraw/zinc/36/42/34/1067364234.db2.gz DQVQJJIYXZNROL-OYRHEFFESA-N 1 0 486.661 3.429 20 0 JGADRO CC(C)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001302764396 1067364737 /nfs/dbraw/zinc/36/47/37/1067364737.db2.gz UEUAQQHQLQDICI-UHFFFAOYSA-N 1 0 487.718 3.168 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)n2CC[N@H+](C)C2CCCCC2)o1 ZINC001304318821 1067366584 /nfs/dbraw/zinc/36/65/84/1067366584.db2.gz BJFVEKLOQYVJDJ-HXUWFJFHSA-N 1 0 492.690 3.219 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)o1 ZINC001304319664 1067367311 /nfs/dbraw/zinc/36/73/11/1067367311.db2.gz FPMNDIMYKPKUHA-SFTDATJTSA-N 1 0 486.661 3.072 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CC(=O)N(C)C)cc1Br ZINC001304320720 1067367880 /nfs/dbraw/zinc/36/78/80/1067367880.db2.gz LVEXGLIVLLXYEL-SFHVURJKSA-N 1 0 475.435 3.169 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001304321855 1067368939 /nfs/dbraw/zinc/36/89/39/1067368939.db2.gz FBNDVGJRDBZRQK-WOJBJXKFSA-N 1 0 472.634 3.039 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCC2)CCS1 ZINC001302771790 1067369480 /nfs/dbraw/zinc/36/94/80/1067369480.db2.gz CTDALEJPGVJVHB-HXUWFJFHSA-N 1 0 477.700 3.411 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(c4cnn(C)c4)CC3)n2CCC[NH+](C(C)C)C(C)C)o1 ZINC001304324039 1067372129 /nfs/dbraw/zinc/37/21/29/1067372129.db2.gz OAKKUIUHZRUZSS-UHFFFAOYSA-N 1 0 454.623 3.416 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001304324400 1067372862 /nfs/dbraw/zinc/37/28/62/1067372862.db2.gz SWSOMRGZEKVQJF-SJORKVTESA-N 1 0 475.435 3.167 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001304325293 1067373918 /nfs/dbraw/zinc/37/39/18/1067373918.db2.gz UIBVTLTZUJAWFV-WNGUMJTMSA-N 1 0 490.718 3.389 20 0 JGADRO Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1Br ZINC001304329025 1067377388 /nfs/dbraw/zinc/37/73/88/1067377388.db2.gz ZXYRXGYRWXXNBS-HKUYNNGSSA-N 1 0 478.435 3.088 20 0 JGADRO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302788395 1067379903 /nfs/dbraw/zinc/37/99/03/1067379903.db2.gz IGHAOAGUWYKJFZ-FGZHOGPDSA-N 1 0 459.660 3.262 20 0 JGADRO CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302788396 1067380129 /nfs/dbraw/zinc/38/01/29/1067380129.db2.gz IGHAOAGUWYKJFZ-VXKWHMMOSA-N 1 0 459.660 3.262 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001302789045 1067380546 /nfs/dbraw/zinc/38/05/46/1067380546.db2.gz OLKDMUKLMFLKPO-SIKLNZKXSA-N 1 0 484.428 3.092 20 0 JGADRO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001302789271 1067380777 /nfs/dbraw/zinc/38/07/77/1067380777.db2.gz NCHOXSYEJGIXFF-HXUWFJFHSA-N 1 0 451.681 3.254 20 0 JGADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001304334546 1067381076 /nfs/dbraw/zinc/38/10/76/1067381076.db2.gz ZHBUOVRLRNWIQI-SESVDKBCSA-N 1 0 486.642 3.434 20 0 JGADRO Cc1ccc(CCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001304337537 1067383447 /nfs/dbraw/zinc/38/34/47/1067383447.db2.gz WRVKBTRFXAXIKX-UHFFFAOYSA-N 1 0 452.647 3.180 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC001304338649 1067384003 /nfs/dbraw/zinc/38/40/03/1067384003.db2.gz QNUWKTMWBAUNJO-DHLKQENFSA-N 1 0 475.634 3.213 20 0 JGADRO Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC001304341615 1067385950 /nfs/dbraw/zinc/38/59/50/1067385950.db2.gz BBMBKWMOJXAOFE-NRFANRHFSA-N 1 0 470.643 3.411 20 0 JGADRO Cc1ccc(CN(C)c2nnc(C3CCN(c4ncccn4)CC3)n2CC[N@@H+](C)C(C)C)o1 ZINC001304345390 1067387962 /nfs/dbraw/zinc/38/79/62/1067387962.db2.gz DIPGQPVAWLXHRY-UHFFFAOYSA-N 1 0 452.607 3.330 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC2CC[NH+](CCN(C)C)CC2)s1 ZINC001304346471 1067388918 /nfs/dbraw/zinc/38/89/18/1067388918.db2.gz RACZBSCXWZPYBS-OAQYLSRUSA-N 1 0 460.692 3.452 20 0 JGADRO Cc1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC([NH2+]C(C)C)CC2)cn1 ZINC001304348117 1067389594 /nfs/dbraw/zinc/38/95/94/1067389594.db2.gz CQJFKMHWRVKWGS-UHFFFAOYSA-N 1 0 468.627 3.067 20 0 JGADRO CC(C)CC(=O)Nc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001302802154 1067390736 /nfs/dbraw/zinc/39/07/36/1067390736.db2.gz CTNUBIMZOKKGIN-UHFFFAOYSA-N 1 0 464.618 3.242 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C ZINC001302801892 1067390853 /nfs/dbraw/zinc/39/08/53/1067390853.db2.gz BIESWJXXRSJCIT-KNQAVFIVSA-N 1 0 472.609 3.207 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccc2)CC1)[NH+](C)C ZINC001302803948 1067391848 /nfs/dbraw/zinc/39/18/48/1067391848.db2.gz LCXKDVZEIGAPDA-QFIPXVFZSA-N 1 0 476.629 3.228 20 0 JGADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304351401 1067392995 /nfs/dbraw/zinc/39/29/95/1067392995.db2.gz APQIJHZFVAGNIP-YUXAGFNASA-N 1 0 469.632 3.199 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)[NH+](C)C ZINC001302805158 1067393170 /nfs/dbraw/zinc/39/31/70/1067393170.db2.gz XQRBBZMCROEEAD-VQTJNVASSA-N 1 0 473.641 3.247 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCOC1)[NH+](C)C ZINC001302808032 1067395872 /nfs/dbraw/zinc/39/58/72/1067395872.db2.gz LXOUAFFOVJNYGJ-SJORKVTESA-N 1 0 453.429 3.248 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001302808723 1067397003 /nfs/dbraw/zinc/39/70/03/1067397003.db2.gz RIGVFRXYUIFQLU-DOTOQJQBSA-N 1 0 450.990 3.416 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001302810638 1067398602 /nfs/dbraw/zinc/39/86/02/1067398602.db2.gz BAQRVWMAYXPGHE-SFHVURJKSA-N 1 0 455.573 3.334 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CC2)C(=O)C1)[NH+](C)C ZINC001302811069 1067398982 /nfs/dbraw/zinc/39/89/82/1067398982.db2.gz DNSAWZZDYZXNSZ-SFHVURJKSA-N 1 0 489.462 3.495 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(Cc2ccccc2F)CC1)[NH+](C)C ZINC001302811079 1067398995 /nfs/dbraw/zinc/39/89/95/1067398995.db2.gz DPSQODLZKDXXTC-QFIPXVFZSA-N 1 0 483.636 3.368 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001302811669 1067399317 /nfs/dbraw/zinc/39/93/17/1067399317.db2.gz KFVKWKAZFDFIKF-TZIWHRDSSA-N 1 0 472.682 3.034 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1)[NH+](C)C ZINC001302815914 1067402941 /nfs/dbraw/zinc/40/29/41/1067402941.db2.gz CSGALXJUZLBDEG-NRFANRHFSA-N 1 0 494.688 3.049 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302816326 1067403153 /nfs/dbraw/zinc/40/31/53/1067403153.db2.gz GTHQKARJIHLHMD-ZWKOTPCHSA-N 1 0 458.632 3.026 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1)[NH+](C)C ZINC001302816642 1067403735 /nfs/dbraw/zinc/40/37/35/1067403735.db2.gz ALCIQWXXHDTUBC-AKFKNWHVSA-N 1 0 471.646 3.433 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302816683 1067403742 /nfs/dbraw/zinc/40/37/42/1067403742.db2.gz AUCWYPOQWOPHHM-WTGUMLROSA-N 1 0 464.655 3.108 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001302817345 1067404671 /nfs/dbraw/zinc/40/46/71/1067404671.db2.gz KCUGIJRSXNOFAM-QFIPXVFZSA-N 1 0 494.619 3.249 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001302817446 1067404713 /nfs/dbraw/zinc/40/47/13/1067404713.db2.gz DJHAMOAWSAMPKY-OFNKIYASSA-N 1 0 486.636 3.296 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@H]4CCCOC4)n3C[C@H](C)[NH+](C)C)CC2)cc1F ZINC001304366020 1067405108 /nfs/dbraw/zinc/40/51/08/1067405108.db2.gz BYVUMFBOWMVZCJ-UGKGYDQZSA-N 1 0 486.636 3.103 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302818022 1067405773 /nfs/dbraw/zinc/40/57/73/1067405773.db2.gz LSFYXXBPMBOCTR-HKBOAZHASA-N 1 0 494.681 3.226 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCc2c(ccnc2N(C)C)C1)[NH+](C)C ZINC001302820337 1067407452 /nfs/dbraw/zinc/40/74/52/1067407452.db2.gz OPRXBNRARSJMCG-JOCHJYFZSA-N 1 0 462.646 3.264 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001302820399 1067407823 /nfs/dbraw/zinc/40/78/23/1067407823.db2.gz PMCRZADVEXUBPL-GGAORHGYSA-N 1 0 450.635 3.043 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001302820401 1067407825 /nfs/dbraw/zinc/40/78/25/1067407825.db2.gz PMCRZADVEXUBPL-JTHBVZDNSA-N 1 0 450.635 3.043 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001302820368 1067407845 /nfs/dbraw/zinc/40/78/45/1067407845.db2.gz PDEDJWTTXHCEOA-IXGWMPLNSA-N 1 0 456.635 3.013 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1ccoc1)[NH+](C)C ZINC001302820462 1067407875 /nfs/dbraw/zinc/40/78/75/1067407875.db2.gz RTUJYFOXQWSTPZ-LJQANCHMSA-N 1 0 463.586 3.398 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1ccoc1)[NH+](C)C ZINC001302820461 1067407884 /nfs/dbraw/zinc/40/78/84/1067407884.db2.gz RTUJYFOXQWSTPZ-IBGZPJMESA-N 1 0 463.586 3.398 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nncn1C)[NH+](C)C ZINC001302820879 1067408766 /nfs/dbraw/zinc/40/87/66/1067408766.db2.gz RWLNJRXKVCVXFU-LEWJYISDSA-N 1 0 454.598 3.454 20 0 JGADRO CC(C)C[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1)[NH+](C)C ZINC001302821759 1067410539 /nfs/dbraw/zinc/41/05/39/1067410539.db2.gz YPQOTFJGFOIGQJ-FQEVSTJZSA-N 1 0 454.619 3.190 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001302821748 1067410556 /nfs/dbraw/zinc/41/05/56/1067410556.db2.gz YLTLNHIRTOQGPS-QMMLZNLJSA-N 1 0 476.572 3.062 20 0 JGADRO CC(C)C[C@H](Cn1c(N2CC[C@@H]3OCCC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001302822581 1067411450 /nfs/dbraw/zinc/41/14/50/1067411450.db2.gz NPEADTSLCUJVLF-MTQWNXOMSA-N 1 0 463.667 3.300 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001302822916 1067411959 /nfs/dbraw/zinc/41/19/59/1067411959.db2.gz PWQUPYPSGAHSTP-TZIWHRDSSA-N 1 0 458.676 3.402 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001302824379 1067412883 /nfs/dbraw/zinc/41/28/83/1067412883.db2.gz JFPUDIYPZNZPAS-SSSFQFABSA-N 1 0 476.666 3.108 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001304374890 1067414227 /nfs/dbraw/zinc/41/42/27/1067414227.db2.gz ORVTZDIFRYUCBQ-LJQANCHMSA-N 1 0 450.591 3.001 20 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CC(C)Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001302845909 1067431511 /nfs/dbraw/zinc/43/15/11/1067431511.db2.gz DGLNZEQFTWCTMD-FQEVSTJZSA-N 1 0 459.616 3.412 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1F ZINC001302851096 1067435537 /nfs/dbraw/zinc/43/55/37/1067435537.db2.gz YSIADMROORIXHK-NQIIRXRSSA-N 1 0 492.665 3.112 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C(F)(F)F ZINC001302851537 1067436163 /nfs/dbraw/zinc/43/61/63/1067436163.db2.gz LDGPBXMFTYRKLX-SJLPKXTDSA-N 1 0 451.541 3.001 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304386000 1067439049 /nfs/dbraw/zinc/43/90/49/1067439049.db2.gz CEKSPRUGKCMERN-TZIWHRDSSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC001304386361 1067440488 /nfs/dbraw/zinc/44/04/88/1067440488.db2.gz FBUOEEFMOAECNT-GLDPYIMESA-N 1 0 472.659 3.198 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001304387562 1067443197 /nfs/dbraw/zinc/44/31/97/1067443197.db2.gz CXVNBPSNAPJGNQ-FQEVSTJZSA-N 1 0 454.619 3.287 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C(F)(F)F ZINC001302860755 1067443339 /nfs/dbraw/zinc/44/33/39/1067443339.db2.gz CBUKZYWPWRLRHH-OXQOHEQNSA-N 1 0 469.527 3.489 20 0 JGADRO CC(C)Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302860915 1067443632 /nfs/dbraw/zinc/44/36/32/1067443632.db2.gz IZTOWALEQCELTN-JOCHJYFZSA-N 1 0 458.651 3.281 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001304387668 1067444152 /nfs/dbraw/zinc/44/41/52/1067444152.db2.gz FGLAJZDNKQNMRG-UHFFFAOYSA-N 1 0 464.618 3.326 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001304387692 1067444183 /nfs/dbraw/zinc/44/41/83/1067444183.db2.gz FSSGIIYGRASIQO-PMACEKPBSA-N 1 0 465.602 3.156 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCSCC2)cc1 ZINC001304387973 1067445085 /nfs/dbraw/zinc/44/50/85/1067445085.db2.gz JMFINHYFPUVXSE-UHFFFAOYSA-N 1 0 486.045 3.426 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304388573 1067446570 /nfs/dbraw/zinc/44/65/70/1067446570.db2.gz PQFCOSMTQGDBRR-JOCHJYFZSA-N 1 0 477.613 3.080 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CCc2ccccc2)n1CCNC(=O)OC(C)(C)C ZINC001302866331 1067447240 /nfs/dbraw/zinc/44/72/40/1067447240.db2.gz KVJQVJFPBAVCFO-OAQYLSRUSA-N 1 0 498.672 3.278 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(-c2cnn(C)c2)n1CC(F)(F)Br ZINC001302866094 1067447337 /nfs/dbraw/zinc/44/73/37/1067447337.db2.gz IRGFYUJYKNIUGQ-OAHLLOKOSA-N 1 0 480.361 3.377 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C[C@@H]1F ZINC001302867329 1067447769 /nfs/dbraw/zinc/44/77/69/1067447769.db2.gz SNIHDNJVVUCKET-CEXWTWQISA-N 1 0 468.618 3.161 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccccn2)n1CCSCC(F)(F)F ZINC001302866396 1067447833 /nfs/dbraw/zinc/44/78/33/1067447833.db2.gz NRCQSLIJEMAFGA-MRXNPFEDSA-N 1 0 470.565 3.325 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCC(=O)N2)n1CCSCC(F)(F)F ZINC001302866466 1067447924 /nfs/dbraw/zinc/44/79/24/1067447924.db2.gz NVYOEOORUOPDLO-AEFFLSMTSA-N 1 0 482.576 3.235 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(Cc4ccccn4)n3CC(C)(C)C[NH+](C)C)CC2)nc1 ZINC001304389646 1067448963 /nfs/dbraw/zinc/44/89/63/1067448963.db2.gz OMVJBFMOHJDMMV-UHFFFAOYSA-N 1 0 490.656 3.410 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(-c4cnn(C)c4)n3CC[NH+](C(C)C)C(C)C)CC2)nc1 ZINC001304390817 1067451093 /nfs/dbraw/zinc/45/10/93/1067451093.db2.gz YTZTXZNQLYJJFQ-UHFFFAOYSA-N 1 0 493.660 3.356 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001302872221 1067454566 /nfs/dbraw/zinc/45/45/66/1067454566.db2.gz SVPFYGAHXCSYDP-TZIWHRDSSA-N 1 0 469.634 3.242 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001304395260 1067457021 /nfs/dbraw/zinc/45/70/21/1067457021.db2.gz HGDHAFMVIJDCRW-QHCPKHFHSA-N 1 0 498.672 3.033 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)NC(=O)OC(C)(C)C ZINC001302873252 1067457017 /nfs/dbraw/zinc/45/70/17/1067457017.db2.gz QZBYQLFLWUEDJE-AQNXPRMDSA-N 1 0 462.639 3.498 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCCC[NH+]1CCOCC1 ZINC001302874802 1067457972 /nfs/dbraw/zinc/45/79/72/1067457972.db2.gz BLVBMLGKACHTBX-OAQYLSRUSA-N 1 0 461.573 3.119 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3cscn3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304397918 1067459196 /nfs/dbraw/zinc/45/91/96/1067459196.db2.gz NIUGDFPTRSKRBW-UHFFFAOYSA-N 1 0 456.616 3.369 20 0 JGADRO Cc1ccc(OC(F)F)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001304398075 1067460172 /nfs/dbraw/zinc/46/01/72/1067460172.db2.gz ZBCYXRSEHBJUMZ-UHFFFAOYSA-N 1 0 485.539 3.414 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304398756 1067460954 /nfs/dbraw/zinc/46/09/54/1067460954.db2.gz UOEOGPWJRRYXBT-QFIPXVFZSA-N 1 0 481.645 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001304399242 1067461970 /nfs/dbraw/zinc/46/19/70/1067461970.db2.gz XIOYXIBOETWGNJ-HKBOAZHASA-N 1 0 486.661 3.062 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3ccon3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001304399599 1067462750 /nfs/dbraw/zinc/46/27/50/1067462750.db2.gz GFXVVFFBZFIFPQ-QHCPKHFHSA-N 1 0 468.602 3.455 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001304405247 1067468271 /nfs/dbraw/zinc/46/82/71/1067468271.db2.gz IYOKTPKWQKFBNA-FQEVSTJZSA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)Nc4nncs4)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304405067 1067468276 /nfs/dbraw/zinc/46/82/76/1067468276.db2.gz RZQAQTIYLMAJTD-UHFFFAOYSA-N 1 0 498.657 3.212 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1C ZINC001304405756 1067469151 /nfs/dbraw/zinc/46/91/51/1067469151.db2.gz MSMVHUZCZRNPGZ-NRFANRHFSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001304406024 1067469542 /nfs/dbraw/zinc/46/95/42/1067469542.db2.gz OKVYHDNHHGXLNG-NHCUHLMSSA-N 1 0 456.635 3.117 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304406284 1067470113 /nfs/dbraw/zinc/47/01/13/1067470113.db2.gz PSZWWXXTOFBOJD-JTHBVZDNSA-N 1 0 468.646 3.261 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC1([S@](C)=O)CCC1 ZINC001302890631 1067470154 /nfs/dbraw/zinc/47/01/54/1067470154.db2.gz VJWPRYPYECYDIP-YTTGMZPUSA-N 1 0 465.708 3.107 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC001302891988 1067471591 /nfs/dbraw/zinc/47/15/91/1067471591.db2.gz XXRABANSWWKYRH-RZUBCFFCSA-N 1 0 457.619 3.165 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC(=O)N(C)Cc1ccccc1 ZINC001302892211 1067472055 /nfs/dbraw/zinc/47/20/55/1067472055.db2.gz CPNQXRNEVGNBKF-ZRZAMGCNSA-N 1 0 496.700 3.461 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001302893380 1067474425 /nfs/dbraw/zinc/47/44/25/1067474425.db2.gz ZCCHWVFCMNAKIG-ZBLYBZFDSA-N 1 0 498.720 3.367 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001302894458 1067475417 /nfs/dbraw/zinc/47/54/17/1067475417.db2.gz KKCFCYRKQBTEEV-NRFANRHFSA-N 1 0 459.660 3.155 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001304410911 1067477625 /nfs/dbraw/zinc/47/76/25/1067477625.db2.gz XQVDVFNRVRXXPY-UHFFFAOYSA-N 1 0 494.562 3.156 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001304410868 1067477640 /nfs/dbraw/zinc/47/76/40/1067477640.db2.gz MAYPZRWPXPPBHX-UHFFFAOYSA-N 1 0 456.635 3.295 20 0 JGADRO CC(C)Cc1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302896578 1067477888 /nfs/dbraw/zinc/47/78/88/1067477888.db2.gz KOQDVEZEMHSHBC-HXUWFJFHSA-N 1 0 450.031 3.015 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCNC(=O)C(C)C)cc1 ZINC001304411151 1067478575 /nfs/dbraw/zinc/47/85/75/1067478575.db2.gz BCSWQYYRPYXPPI-NRFANRHFSA-N 1 0 454.619 3.002 20 0 JGADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H](C)O1 ZINC001302898920 1067480761 /nfs/dbraw/zinc/48/07/61/1067480761.db2.gz OVGOZGXNZVGRIL-FUHIMQAGSA-N 1 0 486.617 3.325 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(-c4ccc[nH]4)n3CCNC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302901850 1067485971 /nfs/dbraw/zinc/48/59/71/1067485971.db2.gz RKAJNPBMHDZWDC-KDURUIRLSA-N 1 0 487.649 3.124 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(Cc2c(F)cccc2F)n1CCOCC(F)F ZINC001302901938 1067486005 /nfs/dbraw/zinc/48/60/05/1067486005.db2.gz UTYOKNRRJBEMAM-INIZCTEOSA-N 1 0 485.526 3.118 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(CNC(=O)c2cccs2)n1CCC(C)(F)F ZINC001302901796 1067486053 /nfs/dbraw/zinc/48/60/53/1067486053.db2.gz PVKMEFFMMWVDGF-INIZCTEOSA-N 1 0 482.601 3.004 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCC[NH+]2CCCC2)cc1 ZINC001304415278 1067486223 /nfs/dbraw/zinc/48/62/23/1067486223.db2.gz QAZMDIYVBRIDLA-UHFFFAOYSA-N 1 0 468.646 3.346 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCCCCO)CC2)C[C@H](C)O1 ZINC001302902198 1067487112 /nfs/dbraw/zinc/48/71/12/1067487112.db2.gz YKEMEWNPPHHUQZ-KDURUIRLSA-N 1 0 477.053 3.482 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001304415864 1067487246 /nfs/dbraw/zinc/48/72/46/1067487246.db2.gz KINMOYKRAPZGOD-YADHBBJMSA-N 1 0 468.646 3.391 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001302902600 1067487557 /nfs/dbraw/zinc/48/75/57/1067487557.db2.gz LUHAAEOUXVYYDB-ROUUACIJSA-N 1 0 472.600 3.149 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001304417004 1067489115 /nfs/dbraw/zinc/48/91/15/1067489115.db2.gz RVZVIMHCKPHSMP-UGKGYDQZSA-N 1 0 475.659 3.052 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCCCO3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC001302905517 1067490336 /nfs/dbraw/zinc/49/03/36/1067490336.db2.gz RJEJQPLBZRNXQM-ZFGGDYGUSA-N 1 0 470.662 3.175 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905727 1067490909 /nfs/dbraw/zinc/49/09/09/1067490909.db2.gz VQWSOTABCXBGLM-SGKWCMOWSA-N 1 0 470.662 3.020 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CC[N@H+](C)C2CCCCC2)cc1C ZINC001304417999 1067491280 /nfs/dbraw/zinc/49/12/80/1067491280.db2.gz JQVBIOJQKSWZJK-UHFFFAOYSA-N 1 0 454.619 3.017 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(Cc3cccnc3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC001302908869 1067493464 /nfs/dbraw/zinc/49/34/64/1067493464.db2.gz MFOCQCHVKZEYCZ-VWPQPMDRSA-N 1 0 483.686 3.174 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H](C)[N@H+](C)C2CC2)cc1C ZINC001304419324 1067493988 /nfs/dbraw/zinc/49/39/88/1067493988.db2.gz OCJLVSIVRCCOQJ-IBGZPJMESA-N 1 0 462.589 3.344 20 0 JGADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001302909844 1067495826 /nfs/dbraw/zinc/49/58/26/1067495826.db2.gz XDHDZUNQKDAEMR-FQEVSTJZSA-N 1 0 486.627 3.442 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)C1CCCCC1 ZINC001302910268 1067496242 /nfs/dbraw/zinc/49/62/42/1067496242.db2.gz JRLBNNVKZLBSQE-SFHVURJKSA-N 1 0 455.607 3.194 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001304422199 1067498205 /nfs/dbraw/zinc/49/82/05/1067498205.db2.gz LBVJQAPQXFQDJB-SZPZYZBQSA-N 1 0 457.619 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001304422957 1067499509 /nfs/dbraw/zinc/49/95/09/1067499509.db2.gz SQZVSWMRPDYAGJ-SFTDATJTSA-N 1 0 459.660 3.344 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304423971 1067500601 /nfs/dbraw/zinc/50/06/01/1067500601.db2.gz CFHPIESXBUQVAV-DEOSSOPVSA-N 1 0 471.646 3.182 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001302920776 1067501658 /nfs/dbraw/zinc/50/16/58/1067501658.db2.gz XFXMVLZAVZYRKI-IBGZPJMESA-N 1 0 466.696 3.267 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001302920777 1067501722 /nfs/dbraw/zinc/50/17/22/1067501722.db2.gz XFXMVLZAVZYRKI-LJQANCHMSA-N 1 0 466.696 3.267 20 0 JGADRO FC(F)(Br)Cn1c(C2CCCC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001302921972 1067502080 /nfs/dbraw/zinc/50/20/80/1067502080.db2.gz AMRMPWBXAIWGAF-UHFFFAOYSA-N 1 0 462.383 3.472 20 0 JGADRO FC(F)(Br)Cn1c(C2CCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302922150 1067502140 /nfs/dbraw/zinc/50/21/40/1067502140.db2.gz GPGUNXCUSYMVFO-UHFFFAOYSA-N 1 0 462.383 3.472 20 0 JGADRO FC(F)(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001302922625 1067502760 /nfs/dbraw/zinc/50/27/60/1067502760.db2.gz MKHJYPBMNKOEEJ-INIZCTEOSA-N 1 0 455.351 3.316 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302924052 1067503859 /nfs/dbraw/zinc/50/38/59/1067503859.db2.gz WKZCNYPWCHSMFK-ACRUOGEOSA-N 1 0 478.682 3.469 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001302923599 1067503932 /nfs/dbraw/zinc/50/39/32/1067503932.db2.gz SREBWUHWSOMIIU-CTNGQTDRSA-N 1 0 493.660 3.138 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001304427433 1067504358 /nfs/dbraw/zinc/50/43/58/1067504358.db2.gz DTKRGPBWYBBJHN-SFTDATJTSA-N 1 0 465.602 3.058 20 0 JGADRO CC(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302933246 1067508505 /nfs/dbraw/zinc/50/85/05/1067508505.db2.gz KBQGPSUENWDBGV-LJQANCHMSA-N 1 0 474.616 3.440 20 0 JGADRO FC(F)(F)CN1CCCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001302937934 1067511388 /nfs/dbraw/zinc/51/13/88/1067511388.db2.gz RULUHQCZGDZVOG-UHFFFAOYSA-N 1 0 462.564 3.400 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304432719 1067511594 /nfs/dbraw/zinc/51/15/94/1067511594.db2.gz DUSDPBPCWFDCJG-SJORKVTESA-N 1 0 482.576 3.230 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC(CC(N)=O)CC3)n2CC[NH+]2CCCCC2)cc1 ZINC001304433894 1067513006 /nfs/dbraw/zinc/51/30/06/1067513006.db2.gz KEUITYNYMGUHIB-UHFFFAOYSA-N 1 0 456.660 3.457 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001302939897 1067513785 /nfs/dbraw/zinc/51/37/85/1067513785.db2.gz OMIJVPBOVWZCDG-UHFFFAOYSA-N 1 0 457.022 3.354 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302940330 1067514764 /nfs/dbraw/zinc/51/47/64/1067514764.db2.gz ZPVQFJNXOPTAET-XMMPIXPASA-N 1 0 474.650 3.015 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC4CC4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001304436564 1067514873 /nfs/dbraw/zinc/51/48/73/1067514873.db2.gz FILALIBQSVEGBB-UHFFFAOYSA-N 1 0 456.660 3.183 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCS2)CC1 ZINC001302940917 1067514995 /nfs/dbraw/zinc/51/49/95/1067514995.db2.gz FHPHRCIWSKBXIJ-KRWDZBQOSA-N 1 0 485.580 3.112 20 0 JGADRO FC(F)(F)CSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302940797 1067515035 /nfs/dbraw/zinc/51/50/35/1067515035.db2.gz BGWJBQAEFMEKGR-MSOLQXFVSA-N 1 0 477.597 3.016 20 0 JGADRO FC(F)(F)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001302941055 1067515199 /nfs/dbraw/zinc/51/51/99/1067515199.db2.gz GKJMPLWFGGZEIA-MRXNPFEDSA-N 1 0 474.915 3.221 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CC(=O)NCC(F)F)cc1 ZINC001304436999 1067515841 /nfs/dbraw/zinc/51/58/41/1067515841.db2.gz FJEMKSXAUIMUTI-SFHVURJKSA-N 1 0 478.613 3.325 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001302943047 1067516370 /nfs/dbraw/zinc/51/63/70/1067516370.db2.gz CFPSAMWMJWVFIW-UHFFFAOYSA-N 1 0 459.683 3.327 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001302943936 1067516741 /nfs/dbraw/zinc/51/67/41/1067516741.db2.gz MNMMLNLMGQXRGG-UHFFFAOYSA-N 1 0 487.718 3.218 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001302944783 1067517612 /nfs/dbraw/zinc/51/76/12/1067517612.db2.gz WPDCFYWBEZWNOG-UHFFFAOYSA-N 1 0 497.688 3.193 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001304438114 1067518059 /nfs/dbraw/zinc/51/80/59/1067518059.db2.gz JQFZVLKDOSXRRV-QPPBQGQZSA-N 1 0 486.730 3.360 20 0 JGADRO FC(F)C(F)(F)CN1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001302945301 1067518136 /nfs/dbraw/zinc/51/81/36/1067518136.db2.gz OAWDXIDUXDACSA-UHFFFAOYSA-N 1 0 452.500 3.229 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302945592 1067518801 /nfs/dbraw/zinc/51/88/01/1067518801.db2.gz JBRIBCPHXNEGOJ-LEWJYISDSA-N 1 0 478.682 3.159 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001302946715 1067519913 /nfs/dbraw/zinc/51/99/13/1067519913.db2.gz QWSIFGYZFURASH-LJQANCHMSA-N 1 0 464.655 3.033 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302946803 1067520249 /nfs/dbraw/zinc/52/02/49/1067520249.db2.gz GSLOPFGAADDFFH-UHFFFAOYSA-N 1 0 475.632 3.107 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001302947239 1067520526 /nfs/dbraw/zinc/52/05/26/1067520526.db2.gz UIUQZVQHNRGHLK-QFIPXVFZSA-N 1 0 487.737 3.168 20 0 JGADRO Cc1nc([C@H]2CN(c3nnc(CSc4ccc(C)cc4)n3C[C@H](C)[NH+](C)C)CCO2)no1 ZINC001304440496 1067521144 /nfs/dbraw/zinc/52/11/44/1067521144.db2.gz JYLZRUFBOGLSSQ-QFBILLFUSA-N 1 0 457.604 3.098 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001302947978 1067521659 /nfs/dbraw/zinc/52/16/59/1067521659.db2.gz OVOJDDNBUFFKHP-LJQANCHMSA-N 1 0 460.671 3.454 20 0 JGADRO FC(F)CN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCC2)CC1 ZINC001302949081 1067522680 /nfs/dbraw/zinc/52/26/80/1067522680.db2.gz KZWAVQANVDQYPE-UHFFFAOYSA-N 1 0 469.378 3.191 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302948991 1067522690 /nfs/dbraw/zinc/52/26/90/1067522690.db2.gz WMALDLNCSVLJEO-GUDVDZBRSA-N 1 0 460.589 3.049 20 0 JGADRO Cc1ccc2oc(N3CCN(c4nnc(C(=O)NC(C)C)n4CC[NH+](C(C)C)C(C)C)CC3)nc2c1 ZINC001304442335 1067523384 /nfs/dbraw/zinc/52/33/84/1067523384.db2.gz BOWRZEFHEKRTLY-UHFFFAOYSA-N 1 0 496.660 3.311 20 0 JGADRO Cc1ccc2oc(N3CCN(c4nnc(C(=O)NC(C)C)n4C[C@@H](CC(C)C)[NH+](C)C)CC3)nc2c1 ZINC001304442369 1067523412 /nfs/dbraw/zinc/52/34/12/1067523412.db2.gz CQGHWCFFRVILOF-HXUWFJFHSA-N 1 0 496.660 3.169 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3cccc(O)c3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302949878 1067523601 /nfs/dbraw/zinc/52/36/01/1067523601.db2.gz LCPRQSUVOHYBEW-OYRHEFFESA-N 1 0 470.662 3.397 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)C)n3C[C@@]3([NH+](C)C)CCSC3)CC2)c1 ZINC001304442832 1067524806 /nfs/dbraw/zinc/52/48/06/1067524806.db2.gz HNMPHHZRINANAK-VWLOTQADSA-N 1 0 470.687 3.500 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1CCOCC[NH+](C)C ZINC001302954219 1067526061 /nfs/dbraw/zinc/52/60/61/1067526061.db2.gz IPIIZKGIFDXZOM-UHFFFAOYSA-N 1 0 470.449 3.083 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302959426 1067531345 /nfs/dbraw/zinc/53/13/45/1067531345.db2.gz UOLVSIUVBKLEBG-QHCPKHFHSA-N 1 0 487.737 3.168 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCN1CCOCC1(C)C ZINC001302961317 1067532630 /nfs/dbraw/zinc/53/26/30/1067532630.db2.gz KEESQMSXBHJTEL-JOCHJYFZSA-N 1 0 454.663 3.298 20 0 JGADRO CC(C)Cc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001302962168 1067533635 /nfs/dbraw/zinc/53/36/35/1067533635.db2.gz VALRSZVLUOCCGI-UHFFFAOYSA-N 1 0 489.064 3.090 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001302962523 1067533646 /nfs/dbraw/zinc/53/36/46/1067533646.db2.gz YATWTACQYDLWKJ-UHFFFAOYSA-N 1 0 490.590 3.144 20 0 JGADRO CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001302964940 1067535003 /nfs/dbraw/zinc/53/50/03/1067535003.db2.gz KRWSWUWARZOUFH-HXUWFJFHSA-N 1 0 459.660 3.012 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001304457405 1067537745 /nfs/dbraw/zinc/53/77/45/1067537745.db2.gz CGGYXVVEIWAEJT-SFHVURJKSA-N 1 0 473.576 3.262 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001304459994 1067539419 /nfs/dbraw/zinc/53/94/19/1067539419.db2.gz MRFRGNGCGFINEI-FQEVSTJZSA-N 1 0 455.632 3.221 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001302972541 1067540225 /nfs/dbraw/zinc/54/02/25/1067540225.db2.gz POANNPBLCZSFHF-NBGIEHNGSA-N 1 0 457.667 3.473 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302975445 1067541776 /nfs/dbraw/zinc/54/17/76/1067541776.db2.gz KJQHJIFHUMBCIN-AOHZBQACSA-N 1 0 455.647 3.424 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302977140 1067543223 /nfs/dbraw/zinc/54/32/23/1067543223.db2.gz SSNJVBHLQGWNBK-FQEVSTJZSA-N 1 0 478.682 3.329 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCS(=O)(=O)C(C)(C)C)n1 ZINC001304469902 1067549233 /nfs/dbraw/zinc/54/92/33/1067549233.db2.gz XFOCEPAJIYUBEP-UHFFFAOYSA-N 1 0 474.675 3.317 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[NH+]2CCCCC2)n1 ZINC001304474716 1067552674 /nfs/dbraw/zinc/55/26/74/1067552674.db2.gz XVDXHHYIXHAGNA-HXUWFJFHSA-N 1 0 453.635 3.266 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304475791 1067554034 /nfs/dbraw/zinc/55/40/34/1067554034.db2.gz RFJOQNJBQBLQLV-FQEVSTJZSA-N 1 0 482.654 3.182 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H](C)C[NH+]2CCCC2)n1 ZINC001304477640 1067555848 /nfs/dbraw/zinc/55/58/48/1067555848.db2.gz RNEQNODWOQOOFF-IEBWSBKVSA-N 1 0 465.568 3.453 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001302996573 1067556077 /nfs/dbraw/zinc/55/60/77/1067556077.db2.gz YIEMIYGNBRGMQM-FNZWTVRRSA-N 1 0 490.693 3.332 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001304478231 1067556740 /nfs/dbraw/zinc/55/67/40/1067556740.db2.gz XZWIHRWKZCIKJB-ZJOUEHCJSA-N 1 0 453.635 3.074 20 0 JGADRO Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001304479382 1067558588 /nfs/dbraw/zinc/55/85/88/1067558588.db2.gz SUJQZVXCACSMBO-UHFFFAOYSA-N 1 0 465.602 3.291 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)n1 ZINC001304479415 1067558645 /nfs/dbraw/zinc/55/86/45/1067558645.db2.gz XKUKZLXCWZACBN-QFIPXVFZSA-N 1 0 453.635 3.074 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(=O)N(C)C2CCCCC2)n1 ZINC001304479397 1067558718 /nfs/dbraw/zinc/55/87/18/1067558718.db2.gz XDQAKYKVTRJUFZ-UHFFFAOYSA-N 1 0 453.635 3.218 20 0 JGADRO Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304479644 1067558940 /nfs/dbraw/zinc/55/89/40/1067558940.db2.gz ZDWAQJZNEHMZSD-OAQYLSRUSA-N 1 0 495.594 3.080 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)n2CCCOC(C)C)n1 ZINC001304479854 1067559352 /nfs/dbraw/zinc/55/93/52/1067559352.db2.gz DMLKJZOMXDTSPB-GOTSBHOMSA-N 1 0 469.678 3.458 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[C@](C)(O)c2ccccc2)n1 ZINC001304480099 1067559744 /nfs/dbraw/zinc/55/97/44/1067559744.db2.gz IVRNXLAFNUDAPR-MHZLTWQESA-N 1 0 478.641 3.493 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCCN(C)CC(F)(F)F)n1 ZINC001304481017 1067560696 /nfs/dbraw/zinc/56/06/96/1067560696.db2.gz XQACRWVFYPXMAZ-GOSISDBHSA-N 1 0 451.541 3.207 20 0 JGADRO Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304481441 1067561284 /nfs/dbraw/zinc/56/12/84/1067561284.db2.gz FINSITOYOWBLPT-OAQYLSRUSA-N 1 0 456.635 3.401 20 0 JGADRO Cc1cccc([C@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)c1 ZINC001304482816 1067562419 /nfs/dbraw/zinc/56/24/19/1067562419.db2.gz LWVSUKCVDYOKFR-UYAOXDASSA-N 1 0 460.648 3.023 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)n1 ZINC001304484405 1067563625 /nfs/dbraw/zinc/56/36/25/1067563625.db2.gz IIUMQGIGFOWQKB-SFHVURJKSA-N 1 0 455.607 3.236 20 0 JGADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304498882 1067574163 /nfs/dbraw/zinc/57/41/63/1067574163.db2.gz ZUMSYIXXEWIXLY-TZIWHRDSSA-N 1 0 467.662 3.084 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001304500034 1067574882 /nfs/dbraw/zinc/57/48/82/1067574882.db2.gz HAERFBOYHQXXLT-FQEVSTJZSA-N 1 0 477.613 3.177 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)Cc3cnccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001304500123 1067574937 /nfs/dbraw/zinc/57/49/37/1067574937.db2.gz JJWAHYIWHUPBDI-NHCUHLMSSA-N 1 0 465.602 3.091 20 0 JGADRO NC(=O)[C@@H]1CCCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCCCC2)C1 ZINC001303022930 1067575088 /nfs/dbraw/zinc/57/50/88/1067575088.db2.gz QIKSAHZWIYJKGQ-OAHLLOKOSA-N 1 0 479.398 3.034 20 0 JGADRO NC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001303022992 1067575329 /nfs/dbraw/zinc/57/53/29/1067575329.db2.gz RQSWOKGXOZXRBN-GOSISDBHSA-N 1 0 475.435 3.285 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(N2CC[NH+](C3CCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303023191 1067575545 /nfs/dbraw/zinc/57/55/45/1067575545.db2.gz URXRVIXLTPBBJY-RPBOFIJWSA-N 1 0 463.667 3.180 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2CC[NH+](C3CCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303023188 1067575577 /nfs/dbraw/zinc/57/55/77/1067575577.db2.gz URXRVIXLTPBBJY-DQEYMECFSA-N 1 0 463.667 3.180 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)Cc3ccon3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001304503230 1067577557 /nfs/dbraw/zinc/57/75/57/1067577557.db2.gz XGDJYPIWQCZEHD-UHFFFAOYSA-N 1 0 454.575 3.025 20 0 JGADRO NC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@H+]2CC=CCC2)C1 ZINC001303025465 1067578067 /nfs/dbraw/zinc/57/80/67/1067578067.db2.gz XEAUKDYIYLTPLO-MRXNPFEDSA-N 1 0 479.412 3.128 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001304504596 1067578818 /nfs/dbraw/zinc/57/88/18/1067578818.db2.gz RYPIMIOZYMSRTQ-HXUWFJFHSA-N 1 0 477.675 3.157 20 0 JGADRO NC(=O)[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001303035845 1067582106 /nfs/dbraw/zinc/58/21/06/1067582106.db2.gz NHJLNFQWXXNVHP-KRWDZBQOSA-N 1 0 463.051 3.411 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304510384 1067584706 /nfs/dbraw/zinc/58/47/06/1067584706.db2.gz NDTQJNXYZCANJS-FQEVSTJZSA-N 1 0 454.619 3.001 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001303041129 1067585806 /nfs/dbraw/zinc/58/58/06/1067585806.db2.gz MLMKFGCJAZGPQE-QGZVFWFLSA-N 1 0 453.429 3.365 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1CCC(O)CC1 ZINC001303041445 1067586300 /nfs/dbraw/zinc/58/63/00/1067586300.db2.gz PYMGJGOVYJCBDE-UHFFFAOYSA-N 1 0 467.456 3.375 20 0 JGADRO Cc1nnc(CCCn2c(COc3cccc(C)c3)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001304511983 1067588310 /nfs/dbraw/zinc/58/83/10/1067588310.db2.gz VDOIWKYHRFZXJB-UHFFFAOYSA-N 1 0 455.632 3.489 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(c4nc(C)cc(C)n4)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001304512431 1067589226 /nfs/dbraw/zinc/58/92/26/1067589226.db2.gz PECNWSUVFKZPQA-UHFFFAOYSA-N 1 0 492.672 3.487 20 0 JGADRO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)cc2)cc1 ZINC001303049037 1067590303 /nfs/dbraw/zinc/59/03/03/1067590303.db2.gz AOGUYSYQBCCJRK-HSZRJFAPSA-N 1 0 451.567 3.208 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001304513481 1067590784 /nfs/dbraw/zinc/59/07/84/1067590784.db2.gz UZPFWZAGWXWDFY-UHFFFAOYSA-N 1 0 470.662 3.054 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS[C@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001304513809 1067591101 /nfs/dbraw/zinc/59/11/01/1067591101.db2.gz DQXALFCQLJYAFX-NHCUHLMSSA-N 1 0 459.660 3.344 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001304515035 1067591603 /nfs/dbraw/zinc/59/16/03/1067591603.db2.gz MNHKMYKTAADTLK-YKSBVNFPSA-N 1 0 459.660 3.245 20 0 JGADRO CC(C)CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001303053928 1067593588 /nfs/dbraw/zinc/59/35/88/1067593588.db2.gz KFTPGVJHBCYBQQ-NHCUHLMSSA-N 1 0 453.635 3.498 20 0 JGADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001304518273 1067593737 /nfs/dbraw/zinc/59/37/37/1067593737.db2.gz OSTHYKAQUDKUBV-UHFFFAOYSA-N 1 0 497.688 3.242 20 0 JGADRO O=C(c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCSCC(F)(F)F)N1CCCC1 ZINC001303055836 1067594597 /nfs/dbraw/zinc/59/45/97/1067594597.db2.gz MSYTWRAVSGGDLV-QGZVFWFLSA-N 1 0 474.597 3.122 20 0 JGADRO Cc1ccccc1C(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001304519240 1067594844 /nfs/dbraw/zinc/59/48/44/1067594844.db2.gz ZAAIVQWUANBWAD-HSZRJFAPSA-N 1 0 495.672 3.055 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001304519411 1067594898 /nfs/dbraw/zinc/59/48/98/1067594898.db2.gz IIPLMDOHGUWVEX-SFTDATJTSA-N 1 0 456.635 3.279 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)C[NH+]1CCCC1 ZINC001304519704 1067595179 /nfs/dbraw/zinc/59/51/79/1067595179.db2.gz LLDLEPIBBBQKBK-RLLQIKCJSA-N 1 0 462.664 3.126 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304519975 1067595571 /nfs/dbraw/zinc/59/55/71/1067595571.db2.gz OJNIHIKMPUZPSM-NRFANRHFSA-N 1 0 464.662 3.458 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001304524027 1067597925 /nfs/dbraw/zinc/59/79/25/1067597925.db2.gz CUNNOVMYJWNHLF-HSZRJFAPSA-N 1 0 468.646 3.059 20 0 JGADRO Cc1ccccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001304526442 1067599396 /nfs/dbraw/zinc/59/93/96/1067599396.db2.gz PTRPNZUWQGFOSD-FQEVSTJZSA-N 1 0 459.660 3.387 20 0 JGADRO Cc1ccccc1-c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304527995 1067599923 /nfs/dbraw/zinc/59/99/23/1067599923.db2.gz LEXPQHTZGOMWJL-IFMALSPDSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001304529669 1067601512 /nfs/dbraw/zinc/60/15/12/1067601512.db2.gz JFUQWMHWMTZRLB-HXUWFJFHSA-N 1 0 484.645 3.468 20 0 JGADRO CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001303067934 1067602639 /nfs/dbraw/zinc/60/26/39/1067602639.db2.gz JTANDBWRUBDKCM-KNQAVFIVSA-N 1 0 472.609 3.346 20 0 JGADRO CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001303067935 1067602652 /nfs/dbraw/zinc/60/26/52/1067602652.db2.gz JTANDBWRUBDKCM-SIKLNZKXSA-N 1 0 472.609 3.346 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304535849 1067606178 /nfs/dbraw/zinc/60/61/78/1067606178.db2.gz WWSQUBZIHFFJDS-JOCHJYFZSA-N 1 0 495.716 3.411 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304536296 1067606986 /nfs/dbraw/zinc/60/69/86/1067606986.db2.gz YIPXQRVMWFHOCO-UHFFFAOYSA-N 1 0 497.688 3.119 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001304536559 1067607458 /nfs/dbraw/zinc/60/74/58/1067607458.db2.gz BPLFRCIOGJIDCD-HXUWFJFHSA-N 1 0 480.579 3.295 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001304536558 1067607482 /nfs/dbraw/zinc/60/74/82/1067607482.db2.gz BPLFRCIOGJIDCD-FQEVSTJZSA-N 1 0 480.579 3.295 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCN(C)CC(F)(F)F ZINC001304536817 1067608186 /nfs/dbraw/zinc/60/81/86/1067608186.db2.gz GTEDDOUFYGFFKC-UHFFFAOYSA-N 1 0 480.579 3.296 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304537087 1067608603 /nfs/dbraw/zinc/60/86/03/1067608603.db2.gz MQEOQIPGNPYNQD-UHFFFAOYSA-N 1 0 493.622 3.211 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001304537566 1067609423 /nfs/dbraw/zinc/60/94/23/1067609423.db2.gz QOVXQZQICAYQAW-PMACEKPBSA-N 1 0 480.579 3.173 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304540176 1067610866 /nfs/dbraw/zinc/61/08/66/1067610866.db2.gz SHDHELCGQZCUPQ-LJQANCHMSA-N 1 0 466.552 3.047 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001304541823 1067612648 /nfs/dbraw/zinc/61/26/48/1067612648.db2.gz GLGVURJTGDJCNQ-DHIUTWEWSA-N 1 0 496.700 3.489 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001304547943 1067616760 /nfs/dbraw/zinc/61/67/60/1067616760.db2.gz RQVQKQKNKKQXJQ-IRLDBZIGSA-N 1 0 459.660 3.065 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001304547942 1067616797 /nfs/dbraw/zinc/61/67/97/1067616797.db2.gz RQVQKQKNKKQXJQ-IFMALSPDSA-N 1 0 459.660 3.065 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCc2cnccn2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304548051 1067617222 /nfs/dbraw/zinc/61/72/22/1067617222.db2.gz LSNLRFBHNMFNJB-VXKWHMMOSA-N 1 0 463.630 3.146 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001304548763 1067617662 /nfs/dbraw/zinc/61/76/62/1067617662.db2.gz RTOVCUPCDROFAU-UHFFFAOYSA-N 1 0 468.690 3.456 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCC(=O)N(C)C ZINC001304549708 1067618996 /nfs/dbraw/zinc/61/89/96/1067618996.db2.gz BPAVLJCVYGXGCQ-ZRZAMGCNSA-N 1 0 496.700 3.371 20 0 JGADRO O=C(NCC(F)(F)F)[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CC[NH+]2CCCCCC2)C1 ZINC001303088124 1067622104 /nfs/dbraw/zinc/62/21/04/1067622104.db2.gz MNXFWJINMSVIPP-OAQYLSRUSA-N 1 0 492.590 3.444 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CC[N@@H+](C)C(C)C ZINC001304554099 1067623270 /nfs/dbraw/zinc/62/32/70/1067623270.db2.gz UHUUOFKGIRCIRU-UHFFFAOYSA-N 1 0 482.658 3.224 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(=O)NCC(F)(F)F ZINC001304555626 1067624151 /nfs/dbraw/zinc/62/41/51/1067624151.db2.gz BHNVQSGKCIPGAA-UHFFFAOYSA-N 1 0 466.552 3.166 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001303090189 1067626651 /nfs/dbraw/zinc/62/66/51/1067626651.db2.gz ONBRGURYYVKEBJ-UHFFFAOYSA-N 1 0 483.082 3.232 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(N3CCN(c4cnccn4)CC3)nnc2C(C)(C)C)CC1 ZINC001303090935 1067627447 /nfs/dbraw/zinc/62/74/47/1067627447.db2.gz IAIYDZVXDHWGES-UHFFFAOYSA-N 1 0 454.667 3.450 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)CC1 ZINC001303091146 1067627763 /nfs/dbraw/zinc/62/77/63/1067627763.db2.gz NTHJUKGWOUUDDI-OAQYLSRUSA-N 1 0 451.681 3.319 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(N3CCC(C(=O)N4CCOCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001303091019 1067627775 /nfs/dbraw/zinc/62/77/75/1067627775.db2.gz JZDPPWURFDLOGN-UHFFFAOYSA-N 1 0 488.721 3.409 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001303091175 1067627880 /nfs/dbraw/zinc/62/78/80/1067627880.db2.gz OVPXBYXKCORMNJ-UHFFFAOYSA-N 1 0 456.610 3.045 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001303091674 1067628976 /nfs/dbraw/zinc/62/89/76/1067628976.db2.gz VKFCCACYKMXDOT-WOJBJXKFSA-N 1 0 487.661 3.420 20 0 JGADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2nnc(-c3ccc[nH]3)n2CCSC(F)(F)F)CC1 ZINC001303092165 1067629776 /nfs/dbraw/zinc/62/97/76/1067629776.db2.gz NURMTMYBMJYUHH-UHFFFAOYSA-N 1 0 499.607 3.345 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304560280 1067629908 /nfs/dbraw/zinc/62/99/08/1067629908.db2.gz GIZQGMFSMNGDSL-PXDATVDWSA-N 1 0 454.619 3.185 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001303094756 1067631457 /nfs/dbraw/zinc/63/14/57/1067631457.db2.gz JCROWFLJVBDYKO-NBGIEHNGSA-N 1 0 486.686 3.119 20 0 JGADRO Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304561322 1067631552 /nfs/dbraw/zinc/63/15/52/1067631552.db2.gz TVGFVDCEAGCGHK-SZPZYZBQSA-N 1 0 454.663 3.065 20 0 JGADRO COc1ccc(C2(C(=O)NCCC3(O)CC[NH+](Cc4ccccc4)CC3)CCOCC2)cc1 ZINC001303095063 1067631701 /nfs/dbraw/zinc/63/17/01/1067631701.db2.gz OKDDQIKVYCGXSA-UHFFFAOYSA-N 1 0 452.595 3.277 20 0 JGADRO Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001304570599 1067638441 /nfs/dbraw/zinc/63/84/41/1067638441.db2.gz FQUCWNQKSTUMSJ-QHCPKHFHSA-N 1 0 454.663 3.349 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)NC(C)C)CC1 ZINC001304571295 1067639447 /nfs/dbraw/zinc/63/94/47/1067639447.db2.gz XOTFQSLVEBYNHT-UHFFFAOYSA-N 1 0 466.655 3.476 20 0 JGADRO Cc1ccccc1OCCn1c(-c2cccnc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304577559 1067645576 /nfs/dbraw/zinc/64/55/76/1067645576.db2.gz QTEQOZYOIVNITR-UHFFFAOYSA-N 1 0 450.587 3.275 20 0 JGADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001304577853 1067646165 /nfs/dbraw/zinc/64/61/65/1067646165.db2.gz PARVDKUPNALVNJ-SFTDATJTSA-N 1 0 454.619 3.173 20 0 JGADRO Cc1ccccc1OCCN(C)c1nnc(-c2cccnc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304578153 1067646494 /nfs/dbraw/zinc/64/64/94/1067646494.db2.gz SKBGJMPPZYPDBS-UHFFFAOYSA-N 1 0 463.630 3.190 20 0 JGADRO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001304579692 1067648495 /nfs/dbraw/zinc/64/84/95/1067648495.db2.gz OPBDBAZAOGUHSG-UHFFFAOYSA-N 1 0 476.691 3.340 20 0 JGADRO CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001303110381 1067648601 /nfs/dbraw/zinc/64/86/01/1067648601.db2.gz UMJLNMRQWRUHJN-WOJBJXKFSA-N 1 0 455.607 3.051 20 0 JGADRO 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CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001303277805 1067805288 /nfs/dbraw/zinc/80/52/88/1067805288.db2.gz VHAUGXMIHSEBTB-UHFFFAOYSA-N 1 0 475.641 3.345 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001303278071 1067805545 /nfs/dbraw/zinc/80/55/45/1067805545.db2.gz YKOYMRVMJXGGIN-ROUUACIJSA-N 1 0 476.025 3.026 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001303278640 1067807043 /nfs/dbraw/zinc/80/70/43/1067807043.db2.gz LTRICUAPEDXTBG-CIAFKFPVSA-N 1 0 464.699 3.082 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001303278906 1067807664 /nfs/dbraw/zinc/80/76/64/1067807664.db2.gz UROVDTFSPLGAQL-GOSISDBHSA-N 1 0 461.010 3.052 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(F)cc2C1 ZINC001303278686 1067808024 /nfs/dbraw/zinc/80/80/24/1067808024.db2.gz NBLNFFVBABSDQI-UHFFFAOYSA-N 1 0 456.591 3.312 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001303278979 1067808520 /nfs/dbraw/zinc/80/85/20/1067808520.db2.gz XLUVQRDOGWAUMC-DHIUTWEWSA-N 1 0 498.672 3.205 20 0 JGADRO CC(C)N(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303285034 1067811919 /nfs/dbraw/zinc/81/19/19/1067811919.db2.gz IPULCCZVBGHOML-QFIPXVFZSA-N 1 0 462.689 3.428 20 0 JGADRO CC(C)N(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303285033 1067811954 /nfs/dbraw/zinc/81/19/54/1067811954.db2.gz IPULCCZVBGHOML-JOCHJYFZSA-N 1 0 462.689 3.428 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001304739474 1067813097 /nfs/dbraw/zinc/81/30/97/1067813097.db2.gz DHMMQRVVBUVHGO-WOJBJXKFSA-N 1 0 492.672 3.243 20 0 JGADRO CC(C)N(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001303288613 1067813684 /nfs/dbraw/zinc/81/36/84/1067813684.db2.gz VRDJZKOYQMWUIR-QGZVFWFLSA-N 1 0 451.662 3.141 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC(C)(C)[C@H]1C)C(C)C ZINC001303290831 1067814861 /nfs/dbraw/zinc/81/48/61/1067814861.db2.gz DXSXKUQIKGGYMM-HXUWFJFHSA-N 1 0 481.649 3.433 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)C(C)C ZINC001303291009 1067814896 /nfs/dbraw/zinc/81/48/96/1067814896.db2.gz INFCHMNXQFJXHO-RUZDIDTESA-N 1 0 466.634 3.335 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3ccccc3)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001304740289 1067815116 /nfs/dbraw/zinc/81/51/16/1067815116.db2.gz HPXREVIXOKYFNP-HXUWFJFHSA-N 1 0 465.646 3.226 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)CC1)C(C)C ZINC001303291222 1067815203 /nfs/dbraw/zinc/81/52/03/1067815203.db2.gz FVWPTQIFDPSAQV-UHFFFAOYSA-N 1 0 499.582 3.199 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001304741088 1067816583 /nfs/dbraw/zinc/81/65/83/1067816583.db2.gz YDENEIGSGQOPEY-HXUWFJFHSA-N 1 0 478.645 3.140 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)C(C)C ZINC001303292136 1067817563 /nfs/dbraw/zinc/81/75/63/1067817563.db2.gz VBFWWWLKTBYOLI-PXDATVDWSA-N 1 0 456.635 3.157 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)C(C)C ZINC001303292444 1067817832 /nfs/dbraw/zinc/81/78/32/1067817832.db2.gz FJCUYKGCHRVBRQ-SFHVURJKSA-N 1 0 474.572 3.181 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)C(C)C ZINC001303292787 1067818210 /nfs/dbraw/zinc/81/82/10/1067818210.db2.gz PJAZXZOJGLKIBR-YYTDSSBASA-N 1 0 474.694 3.420 20 0 JGADRO CC(C)[NH+](CCCn1c(CNC(=O)c2cccs2)nnc1N1CCc2oncc2C1)C(C)C ZINC001303292654 1067818271 /nfs/dbraw/zinc/81/82/71/1067818271.db2.gz LRQSNALEIFNAJV-UHFFFAOYSA-N 1 0 471.631 3.329 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)C(C)C ZINC001303292785 1067818418 /nfs/dbraw/zinc/81/84/18/1067818418.db2.gz PJAZXZOJGLKIBR-CUDBPUKSSA-N 1 0 474.694 3.420 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001303292805 1067818446 /nfs/dbraw/zinc/81/84/46/1067818446.db2.gz PTMICPHWCAQCSB-NRFANRHFSA-N 1 0 486.686 3.482 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1)C(C)C ZINC001303292845 1067818631 /nfs/dbraw/zinc/81/86/31/1067818631.db2.gz QWKCWTREOYCZLX-UHFFFAOYSA-N 1 0 492.628 3.076 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1)C(C)C ZINC001303296032 1067819996 /nfs/dbraw/zinc/81/99/96/1067819996.db2.gz BCBXODJOGAOGKG-UHFFFAOYSA-N 1 0 489.668 3.274 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1)C(C)C ZINC001303296386 1067820217 /nfs/dbraw/zinc/82/02/17/1067820217.db2.gz HMTGBFHZVSACSX-HSZRJFAPSA-N 1 0 469.609 3.229 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)C(C)C ZINC001303296714 1067820473 /nfs/dbraw/zinc/82/04/73/1067820473.db2.gz UADHEWWVQDPZHL-VQTJNVASSA-N 1 0 463.026 3.497 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1)C(C)C ZINC001303296938 1067820746 /nfs/dbraw/zinc/82/07/46/1067820746.db2.gz MYWIDZLKWKLPOZ-QHCPKHFHSA-N 1 0 494.750 3.001 20 0 JGADRO CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1)C(C)C ZINC001303297129 1067820819 /nfs/dbraw/zinc/82/08/19/1067820819.db2.gz ODDLBBJQSLBWHM-FCHUYYIVSA-N 1 0 460.667 3.162 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001304743663 1067821316 /nfs/dbraw/zinc/82/13/16/1067821316.db2.gz VWVLSILEYLZBBD-FQEVSTJZSA-N 1 0 482.036 3.466 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001303297701 1067821789 /nfs/dbraw/zinc/82/17/89/1067821789.db2.gz KHOGBHITAWRNNZ-KRWDZBQOSA-N 1 0 495.466 3.134 20 0 JGADRO CC(C)[NH+](CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1)C(C)C ZINC001303297739 1067821851 /nfs/dbraw/zinc/82/18/51/1067821851.db2.gz MCOBVFAUAJZMLP-UHFFFAOYSA-N 1 0 484.624 3.175 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C ZINC001303298001 1067822181 /nfs/dbraw/zinc/82/21/81/1067822181.db2.gz ZFHXLQAVFNMTLH-IBGZPJMESA-N 1 0 467.584 3.456 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1)C(C)C ZINC001303298054 1067822326 /nfs/dbraw/zinc/82/23/26/1067822326.db2.gz HCAXKAQJZWJIQS-SFHVURJKSA-N 1 0 496.582 3.405 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001303298345 1067823186 /nfs/dbraw/zinc/82/31/86/1067823186.db2.gz QULIKSHMKJWNJD-KRWDZBQOSA-N 1 0 465.545 3.007 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CCC(=O)NC3CCCCC3)CC2)CC1 ZINC001303298814 1067823412 /nfs/dbraw/zinc/82/34/12/1067823412.db2.gz WYISJXYFIGPZNO-UHFFFAOYSA-N 1 0 487.737 3.409 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001303299043 1067823932 /nfs/dbraw/zinc/82/39/32/1067823932.db2.gz YBBJIIJNJGEBRS-SFHVURJKSA-N 1 0 460.648 3.008 20 0 JGADRO CC(C)[NH+](CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)C ZINC001303299526 1067824080 /nfs/dbraw/zinc/82/40/80/1067824080.db2.gz VPAFXWNGVIHJAB-IBGZPJMESA-N 1 0 487.674 3.015 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](COc2ccccc2)C1)C(C)C ZINC001303299707 1067824587 /nfs/dbraw/zinc/82/45/87/1067824587.db2.gz YMJJPDWFYMUKEA-IFMALSPDSA-N 1 0 454.619 3.253 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001303301326 1067825359 /nfs/dbraw/zinc/82/53/59/1067825359.db2.gz GSOBCENVYRDYIR-FQEVSTJZSA-N 1 0 462.038 3.230 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3c(F)cccc3F)nnc2N(C)Cc2ccon2)CC1 ZINC001303301587 1067825643 /nfs/dbraw/zinc/82/56/43/1067825643.db2.gz KLYSKJDFCGPTEW-UHFFFAOYSA-N 1 0 460.529 3.007 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001303301795 1067826038 /nfs/dbraw/zinc/82/60/38/1067826038.db2.gz QOBPDIMEOFJDEE-OAQYLSRUSA-N 1 0 456.635 3.359 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304747355 1067826210 /nfs/dbraw/zinc/82/62/10/1067826210.db2.gz AFUXXVDCYVCXLD-IFMALSPDSA-N 1 0 484.693 3.001 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001303301973 1067826399 /nfs/dbraw/zinc/82/63/99/1067826399.db2.gz XTIJYPDXCWEHSH-IBGZPJMESA-N 1 0 487.649 3.002 20 0 JGADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001303301900 1067826433 /nfs/dbraw/zinc/82/64/33/1067826433.db2.gz USLGEUBRKKPGCT-OAQYLSRUSA-N 1 0 472.609 3.019 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001304747965 1067827220 /nfs/dbraw/zinc/82/72/20/1067827220.db2.gz GGDSDARJAMNHDT-XMMPIXPASA-N 1 0 498.720 3.343 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001303302914 1067827693 /nfs/dbraw/zinc/82/76/93/1067827693.db2.gz CEJIQHCCMUMHGW-ZWKOTPCHSA-N 1 0 467.540 3.403 20 0 JGADRO 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C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+](C)C1CCCCC1 ZINC001304906716 1067950613 /nfs/dbraw/zinc/95/06/13/1067950613.db2.gz SZPBECLAHPCKNL-QGZVFWFLSA-N 1 0 460.026 3.315 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001304908543 1067951927 /nfs/dbraw/zinc/95/19/27/1067951927.db2.gz AXUPBYXGAQQGJN-OALUTQOASA-N 1 0 474.675 3.110 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304908546 1067952009 /nfs/dbraw/zinc/95/20/09/1067952009.db2.gz AYHDPVRSEXHNMX-BURNTYAHSA-N 1 0 460.667 3.178 20 0 JGADRO CC(C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001303426978 1067952048 /nfs/dbraw/zinc/95/20/48/1067952048.db2.gz DHMRBHQYJAXCCY-UHFFFAOYSA-N 1 0 465.577 3.106 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001304909128 1067952634 /nfs/dbraw/zinc/95/26/34/1067952634.db2.gz AYRBHMUHKAKZDW-ROUUACIJSA-N 1 0 451.681 3.001 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001304909008 1067952661 /nfs/dbraw/zinc/95/26/61/1067952661.db2.gz CVZJZRABYQEDEX-OALUTQOASA-N 1 0 474.675 3.110 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)C1 ZINC001304910766 1067953748 /nfs/dbraw/zinc/95/37/48/1067953748.db2.gz IPQDXFVBAYEKMK-ZPTVKNSZSA-N 1 0 469.671 3.121 20 0 JGADRO CC(C)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304911924 1067955550 /nfs/dbraw/zinc/95/55/50/1067955550.db2.gz OCFCLKYRSBYUJU-OALUTQOASA-N 1 0 458.630 3.414 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304911989 1067955621 /nfs/dbraw/zinc/95/56/21/1067955621.db2.gz NQSAVONMJXEUNI-FDFHNCONSA-N 1 0 476.710 3.433 20 0 JGADRO CC(C)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304911923 1067955635 /nfs/dbraw/zinc/95/56/35/1067955635.db2.gz OCFCLKYRSBYUJU-KDURUIRLSA-N 1 0 458.630 3.414 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304912060 1067955682 /nfs/dbraw/zinc/95/56/82/1067955682.db2.gz ONMUUVDMWYCPOE-SJBKTWHCSA-N 1 0 474.694 3.426 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001304913021 1067957316 /nfs/dbraw/zinc/95/73/16/1067957316.db2.gz SELZQVYEONTIOL-NJYVYQBISA-N 1 0 460.667 3.132 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304913732 1067957893 /nfs/dbraw/zinc/95/78/93/1067957893.db2.gz XGUWATIXQXHVOM-OYRHEFFESA-N 1 0 484.693 3.286 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CO)CC2)C1 ZINC001304913611 1067957902 /nfs/dbraw/zinc/95/79/02/1067957902.db2.gz UXJSRIFQELFOFK-KDURUIRLSA-N 1 0 488.702 3.235 20 0 JGADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCOc2ccccc2)n1CCC[N@H+](C)C1CCCCC1 ZINC001304913972 1067958302 /nfs/dbraw/zinc/95/83/02/1067958302.db2.gz VZDQIKAKLQANOX-OAQYLSRUSA-N 1 0 468.646 3.221 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001304914308 1067958336 /nfs/dbraw/zinc/95/83/36/1067958336.db2.gz YPYCHBWKBNGBJR-WOJBJXKFSA-N 1 0 488.702 3.034 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)CCOC1 ZINC001304915232 1067959497 /nfs/dbraw/zinc/95/94/97/1067959497.db2.gz BYAOOYOOFMMFRZ-TYBLODHISA-N 1 0 463.667 3.036 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001303436127 1067959541 /nfs/dbraw/zinc/95/95/41/1067959541.db2.gz PFLGMNWKCOPQOO-KRWDZBQOSA-N 1 0 478.439 3.013 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001303436128 1067959560 /nfs/dbraw/zinc/95/95/60/1067959560.db2.gz PFLGMNWKCOPQOO-QGZVFWFLSA-N 1 0 478.439 3.013 20 0 JGADRO C[C@@H]1C[C@H](C)CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[NH+]2CCCC2)C1 ZINC001304919292 1067961586 /nfs/dbraw/zinc/96/15/86/1067961586.db2.gz PNUYFTUNTBOSSX-BGYRXZFFSA-N 1 0 474.675 3.164 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001304920805 1067962198 /nfs/dbraw/zinc/96/21/98/1067962198.db2.gz UIWZKGXVCFODOC-VAMGGRTRSA-N 1 0 476.691 3.259 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001304920809 1067962214 /nfs/dbraw/zinc/96/22/14/1067962214.db2.gz UIWZKGXVCFODOC-ZCNNSNEGSA-N 1 0 476.691 3.259 20 0 JGADRO C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCSCC2)C1 ZINC001304921454 1067962620 /nfs/dbraw/zinc/96/26/20/1067962620.db2.gz RMBBYKCVGMNSCT-HSALFYBXSA-N 1 0 494.706 3.118 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)C1 ZINC001304923149 1067964364 /nfs/dbraw/zinc/96/43/64/1067964364.db2.gz ATDPQTXNHWNOSC-APAFKAMOSA-N 1 0 452.594 3.325 20 0 JGADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC001304923239 1067964769 /nfs/dbraw/zinc/96/47/69/1067964769.db2.gz AOBOGXATVZHHEK-KAOXLYBCSA-N 1 0 460.711 3.491 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001303442813 1067964791 /nfs/dbraw/zinc/96/47/91/1067964791.db2.gz DDTWLEVGDMZNOV-QHCPKHFHSA-N 1 0 465.646 3.362 20 0 JGADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001304923237 1067964864 /nfs/dbraw/zinc/96/48/64/1067964864.db2.gz AOBOGXATVZHHEK-BJESRGMDSA-N 1 0 460.711 3.491 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[NH+]1CCSCC1 ZINC001303443330 1067965370 /nfs/dbraw/zinc/96/53/70/1067965370.db2.gz LMOBGBSDJGYRFL-UHFFFAOYSA-N 1 0 483.107 3.233 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304923521 1067965463 /nfs/dbraw/zinc/96/54/63/1067965463.db2.gz BXIDRFIUJJGNJZ-RZUBCFFCSA-N 1 0 474.675 3.112 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cccnc3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001304923632 1067965472 /nfs/dbraw/zinc/96/54/72/1067965472.db2.gz DIMYLYSSPMYMFJ-KDURUIRLSA-N 1 0 465.568 3.392 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304923703 1067965478 /nfs/dbraw/zinc/96/54/78/1067965478.db2.gz CSMOHHZPKGCYNZ-FNAHDJPLSA-N 1 0 497.750 3.436 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001304924016 1067966236 /nfs/dbraw/zinc/96/62/36/1067966236.db2.gz GZRJAXCGUMLBSG-XAPVIXHLSA-N 1 0 498.676 3.453 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(C3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001304924067 1067966346 /nfs/dbraw/zinc/96/63/46/1067966346.db2.gz HFWYBHNQQNVODE-SFHLNBCPSA-N 1 0 476.666 3.253 20 0 JGADRO CC(C)NC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001303445212 1067966821 /nfs/dbraw/zinc/96/68/21/1067966821.db2.gz ZNABBHRXRFOTDT-RTBURBONSA-N 1 0 458.582 3.146 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304924364 1067966958 /nfs/dbraw/zinc/96/69/58/1067966958.db2.gz IUABAAXMHIXHSY-OYRHEFFESA-N 1 0 460.667 3.181 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001304924558 1067967358 /nfs/dbraw/zinc/96/73/58/1067967358.db2.gz JNECTWDYKHIOJR-GUDVDZBRSA-N 1 0 480.583 3.176 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001304924502 1067967376 /nfs/dbraw/zinc/96/73/76/1067967376.db2.gz HYRKPMWVRYPAGW-HBMCJLEFSA-N 1 0 486.636 3.421 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccn3C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304925163 1067968078 /nfs/dbraw/zinc/96/80/78/1067968078.db2.gz LXLJXYFAKPVJSV-NJDAHSKKSA-N 1 0 476.691 3.055 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(F)(F)C2)C1 ZINC001304925077 1067968110 /nfs/dbraw/zinc/96/81/10/1067968110.db2.gz BMZLSHFVXVULNT-IAGOWNOFSA-N 1 0 466.602 3.483 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(N3CCN(c4ccc(C(N)=O)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001304924981 1067968157 /nfs/dbraw/zinc/96/81/57/1067968157.db2.gz ARJGRBRJDHCIRI-SFTDATJTSA-N 1 0 481.689 3.369 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304925745 1067969110 /nfs/dbraw/zinc/96/91/10/1067969110.db2.gz DUNYLDNIWWQOJX-PMACEKPBSA-N 1 0 458.626 3.337 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304925796 1067969396 /nfs/dbraw/zinc/96/93/96/1067969396.db2.gz OUEFQSSCSJVVTI-OYRHEFFESA-N 1 0 455.651 3.336 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304925900 1067969428 /nfs/dbraw/zinc/96/94/28/1067969428.db2.gz MZXHKWAGHQMCBD-PMACEKPBSA-N 1 0 478.682 3.010 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304925854 1067969437 /nfs/dbraw/zinc/96/94/37/1067969437.db2.gz PDROFUZBYOTISK-BRWVUGGUSA-N 1 0 494.482 3.114 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2C2CCC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926608 1067970658 /nfs/dbraw/zinc/97/06/58/1067970658.db2.gz SPADVOTZNMYZSG-YOUFYPILSA-N 1 0 466.696 3.025 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001304926551 1067970692 /nfs/dbraw/zinc/97/06/92/1067970692.db2.gz SELOZEVHKXTJIS-HBMCJLEFSA-N 1 0 489.686 3.189 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926721 1067971147 /nfs/dbraw/zinc/97/11/47/1067971147.db2.gz SZZQUFDTKIEHDW-HDICACEKSA-N 1 0 474.053 3.395 20 0 JGADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001304926727 1067971271 /nfs/dbraw/zinc/97/12/71/1067971271.db2.gz HCTNYRBWUVZRDT-FCGDIQPGSA-N 1 0 470.584 3.403 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304926866 1067971729 /nfs/dbraw/zinc/97/17/29/1067971729.db2.gz RSKRSKZFCGPMRS-SBHAEUEKSA-N 1 0 479.716 3.312 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304926870 1067971930 /nfs/dbraw/zinc/97/19/30/1067971930.db2.gz RSKRSKZFCGPMRS-SVFBPWRDSA-N 1 0 479.716 3.312 20 0 JGADRO C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927081 1067972268 /nfs/dbraw/zinc/97/22/68/1067972268.db2.gz INOQGNHSYFNFKG-YRPNKDGESA-N 1 0 463.648 3.339 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001304927238 1067972876 /nfs/dbraw/zinc/97/28/76/1067972876.db2.gz SYKUBCFWLFBLPQ-YDIMBITNSA-N 1 0 458.676 3.390 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001304927235 1067972950 /nfs/dbraw/zinc/97/29/50/1067972950.db2.gz SYKUBCFWLFBLPQ-GLDPYIMESA-N 1 0 458.676 3.390 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001304927243 1067973001 /nfs/dbraw/zinc/97/30/01/1067973001.db2.gz VVQZGDNBBLTLLJ-QKLQHJQFSA-N 1 0 460.026 3.282 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)C[C@H]3CCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001304927483 1067973329 /nfs/dbraw/zinc/97/33/29/1067973329.db2.gz JXQSHRYNKAZNJV-FFHOAYQKSA-N 1 0 463.667 3.302 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)C[C@H]3CCCO3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCOC1 ZINC001304927486 1067973337 /nfs/dbraw/zinc/97/33/37/1067973337.db2.gz JXQSHRYNKAZNJV-XAISMOLKSA-N 1 0 463.667 3.302 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)C[C@H]3CCCO3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCOC1 ZINC001304927484 1067973369 /nfs/dbraw/zinc/97/33/69/1067973369.db2.gz JXQSHRYNKAZNJV-NMOFPLQQSA-N 1 0 463.667 3.302 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)CC2)C1 ZINC001304927655 1067973877 /nfs/dbraw/zinc/97/38/77/1067973877.db2.gz XJXSWPRCMAURNU-ROUUACIJSA-N 1 0 489.462 3.402 20 0 JGADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304927631 1067974008 /nfs/dbraw/zinc/97/40/08/1067974008.db2.gz XCGZDGPZSGRKNC-BDTNDASRSA-N 1 0 484.693 3.035 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001304927822 1067974249 /nfs/dbraw/zinc/97/42/49/1067974249.db2.gz YAQUPSXREFUVFM-WOJBJXKFSA-N 1 0 470.666 3.271 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928125 1067975141 /nfs/dbraw/zinc/97/51/41/1067975141.db2.gz SMWDNQBOHOAGJX-MBDNFAEBSA-N 1 0 460.667 3.180 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304928065 1067975182 /nfs/dbraw/zinc/97/51/82/1067975182.db2.gz LWHQLFMSYASCAG-DHIUTWEWSA-N 1 0 483.705 3.179 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001304928108 1067975280 /nfs/dbraw/zinc/97/52/80/1067975280.db2.gz MHGXMBKJLLGISK-WOZUAGRISA-N 1 0 465.708 3.421 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001304928106 1067975309 /nfs/dbraw/zinc/97/53/09/1067975309.db2.gz MHGXMBKJLLGISK-MHTWAQMVSA-N 1 0 465.708 3.421 20 0 JGADRO CC(C)[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928172 1067975666 /nfs/dbraw/zinc/97/56/66/1067975666.db2.gz UDRFQZCPAPNVTJ-JSXRDJHFSA-N 1 0 468.712 3.129 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001304928308 1067975703 /nfs/dbraw/zinc/97/57/03/1067975703.db2.gz ZOBFNGMNVKVVAB-HBMCJLEFSA-N 1 0 470.637 3.433 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304928305 1067975714 /nfs/dbraw/zinc/97/57/14/1067975714.db2.gz ZNDKTWMOHIFPJF-MQSCRBSSSA-N 1 0 488.702 3.035 20 0 JGADRO CC(C)[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928177 1067975750 /nfs/dbraw/zinc/97/57/50/1067975750.db2.gz UDRFQZCPAPNVTJ-WOZUAGRISA-N 1 0 468.712 3.129 20 0 JGADRO CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928480 1067976076 /nfs/dbraw/zinc/97/60/76/1067976076.db2.gz OARMKMBQERHZIH-MHTWAQMVSA-N 1 0 451.681 3.173 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304929065 1067977000 /nfs/dbraw/zinc/97/70/00/1067977000.db2.gz YUZWKMDACXKCSW-VAMGGRTRSA-N 1 0 484.645 3.175 20 0 JGADRO CC(C)NC(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001303459803 1067978929 /nfs/dbraw/zinc/97/89/29/1067978929.db2.gz DHTIVPIFGKGFTN-NRFANRHFSA-N 1 0 487.718 3.022 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC1 ZINC001303462635 1067981782 /nfs/dbraw/zinc/98/17/82/1067981782.db2.gz HFRUANWTSALXQW-MRXNPFEDSA-N 1 0 458.998 3.215 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001303462411 1067981853 /nfs/dbraw/zinc/98/18/53/1067981853.db2.gz BNHRKNLCXANSGU-RHGYRFJNSA-N 1 0 461.582 3.064 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303463053 1067982277 /nfs/dbraw/zinc/98/22/77/1067982277.db2.gz MVVBQKRTEJUCAE-MHZLTWQESA-N 1 0 498.672 3.036 20 0 JGADRO C[C@@H]1C[C@@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC001304933485 1067982390 /nfs/dbraw/zinc/98/23/90/1067982390.db2.gz SQMKLSODUAZKEX-UXHICEINSA-N 1 0 489.686 3.474 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)c2ccccc2)CC1 ZINC001303463460 1067982634 /nfs/dbraw/zinc/98/26/34/1067982634.db2.gz RZTRAFSOXVJXMI-SANMLTNESA-N 1 0 470.662 3.422 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)c2ccccc2)CC1 ZINC001303463459 1067982695 /nfs/dbraw/zinc/98/26/95/1067982695.db2.gz RZTRAFSOXVJXMI-AREMUKBSSA-N 1 0 470.662 3.422 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)C2CC2)CC1 ZINC001303463654 1067983046 /nfs/dbraw/zinc/98/30/46/1067983046.db2.gz WQDMSEBTAHIWME-AVRDEDQJSA-N 1 0 474.675 3.049 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(F)F)CC1 ZINC001303464367 1067983473 /nfs/dbraw/zinc/98/34/73/1067983473.db2.gz ASUMUSUFZYQYLS-UHFFFAOYSA-N 1 0 478.592 3.048 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303464690 1067983854 /nfs/dbraw/zinc/98/38/54/1067983854.db2.gz HTAHPKMCTFCKGH-FQEVSTJZSA-N 1 0 482.551 3.252 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303465419 1067984772 /nfs/dbraw/zinc/98/47/72/1067984772.db2.gz PPVIDFWDDLFVGP-LJQANCHMSA-N 1 0 484.649 3.349 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NC2CCCCC2)CC1 ZINC001303466033 1067985185 /nfs/dbraw/zinc/98/51/85/1067985185.db2.gz NSLMJSVRWWMYMB-UHFFFAOYSA-N 1 0 468.646 3.315 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSc2ccccc2)CC1 ZINC001303465803 1067985309 /nfs/dbraw/zinc/98/53/09/1067985309.db2.gz TWJVQNCMKHNELH-IBGZPJMESA-N 1 0 477.700 3.329 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2CCSCc2ccccc2F)CC1 ZINC001303466594 1067985530 /nfs/dbraw/zinc/98/55/30/1067985530.db2.gz SCKSBPGKVLRHDY-UHFFFAOYSA-N 1 0 474.650 3.440 20 0 JGADRO C[C@H]1C[C@@H](CCn2c(C3CC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCO1 ZINC001304938051 1067987022 /nfs/dbraw/zinc/98/70/22/1067987022.db2.gz LMJFCAFMCQQBFD-ROUUACIJSA-N 1 0 459.557 3.452 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCc2ccco2)CC1 ZINC001303468030 1067987136 /nfs/dbraw/zinc/98/71/36/1067987136.db2.gz QGLAZORENNQUGA-IFMALSPDSA-N 1 0 472.634 3.073 20 0 JGADRO C[C@@H]1C[C@@H](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC001304938992 1067988170 /nfs/dbraw/zinc/98/81/70/1067988170.db2.gz PMBIZSPXQJBPLQ-MISYRCLQSA-N 1 0 499.603 3.479 20 0 JGADRO C[C@H]1C[C@H](N(C)c2nnc(-c3ccccn3)n2CCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304946730 1067998599 /nfs/dbraw/zinc/99/85/99/1067998599.db2.gz DEGZXSHIJGKGTM-RBBKRZOGSA-N 1 0 461.614 3.308 20 0 JGADRO C[C@@H]1C[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304947610 1067998738 /nfs/dbraw/zinc/99/87/38/1067998738.db2.gz HMVLPUMQYVOTLD-QZTJIDSGSA-N 1 0 452.525 3.011 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H](C2CC2)[NH+](C)C)CCOC1 ZINC001303480315 1067999979 /nfs/dbraw/zinc/99/99/79/1067999979.db2.gz CGURJDRWVRNARF-AVRDEDQJSA-N 1 0 499.582 3.048 20 0 JGADRO C[C@H]1C[C@H](N(C)c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001304952751 1068001173 /nfs/dbraw/zinc/00/11/73/1068001173.db2.gz QUEYDYMUVVAFHK-XUZZJYLKSA-N 1 0 496.681 3.188 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001304957537 1068003175 /nfs/dbraw/zinc/00/31/75/1068003175.db2.gz FDQCBVHMVJBTNN-AJYBTWMASA-N 1 0 454.685 3.024 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCOC1 ZINC001303482451 1068004596 /nfs/dbraw/zinc/00/45/96/1068004596.db2.gz ZQFWDJMBHNJOTD-RDGATRHJSA-N 1 0 485.608 3.131 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001303488259 1068011952 /nfs/dbraw/zinc/01/19/52/1068011952.db2.gz AVJZXULQLBSVGG-RPWUZVMVSA-N 1 0 481.707 3.150 20 0 JGADRO CC1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304973965 1068013826 /nfs/dbraw/zinc/01/38/26/1068013826.db2.gz DDKJRZYLASVINV-LIKPIUCQSA-N 1 0 460.667 3.477 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001303489710 1068013927 /nfs/dbraw/zinc/01/39/27/1068013927.db2.gz MCIODQIXMCXREF-XLNZFTOWSA-N 1 0 461.607 3.218 20 0 JGADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)O)CC1 ZINC001304975126 1068014754 /nfs/dbraw/zinc/01/47/54/1068014754.db2.gz KYBVXWKVWVNDOW-KDURUIRLSA-N 1 0 461.054 3.364 20 0 JGADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3cccnc3)n2CC(F)(F)Br)CC1 ZINC001304977107 1068016047 /nfs/dbraw/zinc/01/60/47/1068016047.db2.gz QATASPWRFRHLHQ-IRXDYDNUSA-N 1 0 498.420 3.323 20 0 JGADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)O)CC1 ZINC001304977286 1068016346 /nfs/dbraw/zinc/01/63/46/1068016346.db2.gz QSWQPWFLPVGVGQ-OALUTQOASA-N 1 0 492.615 3.312 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC(C)(C)C[NH+]2CCCC2)CCOC1 ZINC001303492546 1068017430 /nfs/dbraw/zinc/01/74/30/1068017430.db2.gz TUXYTKOZRIJFJV-NBGIEHNGSA-N 1 0 463.667 3.444 20 0 JGADRO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001303492482 1068017645 /nfs/dbraw/zinc/01/76/45/1068017645.db2.gz FFIUHXGAFAIPHG-REWPJTCUSA-N 1 0 457.596 3.108 20 0 JGADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001303492444 1068017827 /nfs/dbraw/zinc/01/78/27/1068017827.db2.gz GXPYROHLSMBGTF-YJBOKZPZSA-N 1 0 463.372 3.485 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC(C)(C)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303493293 1068018604 /nfs/dbraw/zinc/01/86/04/1068018604.db2.gz GWXVBMWQQHTPPG-PXDATVDWSA-N 1 0 463.667 3.446 20 0 JGADRO CC1CCC([NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CC[S@@](=O)C(C)(C)C)CC2)CC1 ZINC001304980413 1068019427 /nfs/dbraw/zinc/01/94/27/1068019427.db2.gz LKZJLKBFYABEOM-RODHJWBLSA-N 1 0 451.681 3.030 20 0 JGADRO C[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[N@H+](C)C1CC1 ZINC001304980953 1068020370 /nfs/dbraw/zinc/02/03/70/1068020370.db2.gz KWEUCAWHBDGGCD-ZACQAIPSSA-N 1 0 479.716 3.483 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304981408 1068021501 /nfs/dbraw/zinc/02/15/01/1068021501.db2.gz SHPWWWSWAWKNNU-YRXWBPOGSA-N 1 0 488.702 3.331 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981905 1068022351 /nfs/dbraw/zinc/02/23/51/1068022351.db2.gz BUUGAOHUYYTYAG-JIPXPUAJSA-N 1 0 499.679 3.388 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(F)(F)F)([NH+](C)C)C1 ZINC001304981922 1068022755 /nfs/dbraw/zinc/02/27/55/1068022755.db2.gz BYDQAUAESCAGFE-QRWLVFNGSA-N 1 0 453.513 3.434 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC([NH+]4CCCCC4)CC3)n2C[C@@](C)(O)C(C)C)CCOC1 ZINC001303497451 1068025254 /nfs/dbraw/zinc/02/52/54/1068025254.db2.gz UVPPBZYNJNWTLV-RPBOFIJWSA-N 1 0 463.667 3.180 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)([NH+](C)C)C1 ZINC001304983460 1068025556 /nfs/dbraw/zinc/02/55/56/1068025556.db2.gz DQZYUZRNXGDXFV-UMEGOILYSA-N 1 0 460.667 3.162 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(C)(C)C)C2)([NH+](C)C)C1 ZINC001304983456 1068025705 /nfs/dbraw/zinc/02/57/05/1068025705.db2.gz DQZYUZRNXGDXFV-OHUGHZGNSA-N 1 0 460.667 3.162 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304983811 1068025991 /nfs/dbraw/zinc/02/59/91/1068025991.db2.gz MHYGIJHOXCQDCO-FRBSRZPYSA-N 1 0 472.609 3.379 20 0 JGADRO C[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCS(C)(=O)=O)C[NH+]1CCCC1 ZINC001304984340 1068026689 /nfs/dbraw/zinc/02/66/89/1068026689.db2.gz PKANNLXRXPHMLY-QZTJIDSGSA-N 1 0 479.716 3.344 20 0 JGADRO C[C@H]1CCC[C@](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)C2)([NH+](C)C)C1 ZINC001304984513 1068027214 /nfs/dbraw/zinc/02/72/14/1068027214.db2.gz HQTWKXGZELNGHB-UUOWRZLLSA-N 1 0 459.038 3.311 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)C2)([NH+](C)C)C1 ZINC001304984510 1068027228 /nfs/dbraw/zinc/02/72/28/1068027228.db2.gz HQTWKXGZELNGHB-HOYKHHGWSA-N 1 0 459.038 3.311 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304984797 1068027940 /nfs/dbraw/zinc/02/79/40/1068027940.db2.gz SNYGCXUNEXMXBO-MSYCTHLASA-N 1 0 468.712 3.415 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(F)cc3C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304986640 1068029539 /nfs/dbraw/zinc/02/95/39/1068029539.db2.gz YZPVPOGSMWHUHV-QZTZHPFYSA-N 1 0 492.665 3.101 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)CCOC1 ZINC001303501685 1068030054 /nfs/dbraw/zinc/03/00/54/1068030054.db2.gz JXNGHSGFPXGWAH-HFZDXXHNSA-N 1 0 493.693 3.213 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)CCOC1 ZINC001303501686 1068030136 /nfs/dbraw/zinc/03/01/36/1068030136.db2.gz JXNGHSGFPXGWAH-LVXARBLLSA-N 1 0 493.693 3.213 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)([NH+](C)C)C1 ZINC001304987458 1068030360 /nfs/dbraw/zinc/03/03/60/1068030360.db2.gz ODPFLCZLBZUTCA-AYCKEJKLSA-N 1 0 456.610 3.220 20 0 JGADRO C[C@H]1CCC[C@](Cn2c(COc3ccc(F)cc3)nnc2N(C)CCN2CCOCC2)([NH+](C)C)C1 ZINC001304989195 1068031628 /nfs/dbraw/zinc/03/16/28/1068031628.db2.gz RCLMDUYVFGQEPX-LVXARBLLSA-N 1 0 488.652 3.275 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(-c3cnccn3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)([NH+](C)C)C1 ZINC001304989893 1068032280 /nfs/dbraw/zinc/03/22/80/1068032280.db2.gz STTMSZZOWNBELB-WYEJZRMESA-N 1 0 484.649 3.349 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC001304991236 1068033266 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/nfs/dbraw/zinc/04/54/55/1068045455.db2.gz OFSCUXMKNGLVGB-ILSIFQBBSA-N 1 0 495.734 3.396 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCS[C@H](C(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001303510498 1068045483 /nfs/dbraw/zinc/04/54/83/1068045483.db2.gz OFSCUXMKNGLVGB-XOEOCAAJSA-N 1 0 495.734 3.396 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303510828 1068046197 /nfs/dbraw/zinc/04/61/97/1068046197.db2.gz QANKGXARKGKMDR-GECPAALWSA-N 1 0 481.707 3.150 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001305012853 1068053282 /nfs/dbraw/zinc/05/32/82/1068053282.db2.gz BMMPPJZJETUFPW-GOSISDBHSA-N 1 0 493.578 3.500 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001305012854 1068053510 /nfs/dbraw/zinc/05/35/10/1068053510.db2.gz BMMPPJZJETUFPW-SFHVURJKSA-N 1 0 493.578 3.500 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(-c2cccn2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305013381 1068054006 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JGADRO C[C@H]1CCC[N@@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001305059869 1068124331 /nfs/dbraw/zinc/12/43/31/1068124331.db2.gz QNJWRIAJDGBHPE-KRWDZBQOSA-N 1 0 454.516 3.177 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305060314 1068125229 /nfs/dbraw/zinc/12/52/29/1068125229.db2.gz VSYWVJINMTUKIH-RTBURBONSA-N 1 0 462.639 3.102 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001305060653 1068125328 /nfs/dbraw/zinc/12/53/28/1068125328.db2.gz WPMOHEKWPORXGS-AABGKKOBSA-N 1 0 462.639 3.498 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001305061271 1068126425 /nfs/dbraw/zinc/12/64/25/1068126425.db2.gz DCTZBMWKOYZWBB-LEWJYISDSA-N 1 0 455.651 3.382 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=CCC1)[NH+]1CCC(C)CC1 ZINC001305061243 1068126457 /nfs/dbraw/zinc/12/64/57/1068126457.db2.gz CMXXTJHTOJOIJO-FQEVSTJZSA-N 1 0 472.659 3.082 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001305061353 1068127162 /nfs/dbraw/zinc/12/71/62/1068127162.db2.gz YTMGGZWMNCWHNM-PSTIOWGYSA-N 1 0 452.628 3.122 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001305061811 1068127756 /nfs/dbraw/zinc/12/77/56/1068127756.db2.gz IGAGSTSFNFQLOV-GOSISDBHSA-N 1 0 461.010 3.053 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001305062037 1068128769 /nfs/dbraw/zinc/12/87/69/1068128769.db2.gz LLJZXWQBVHKJBK-LJQANCHMSA-N 1 0 468.646 3.341 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCCNC(=O)C1CCC1)[NH+]1CCC(C)CC1 ZINC001305061975 1068128823 /nfs/dbraw/zinc/12/88/23/1068128823.db2.gz HYKGOHHSZQKNTG-FQEVSTJZSA-N 1 0 453.635 3.203 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3[C@H]2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305062998 1068131248 /nfs/dbraw/zinc/13/12/48/1068131248.db2.gz MDPATWYAQRXBNN-VAMGGRTRSA-N 1 0 474.675 3.132 20 0 JGADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001305063210 1068131328 /nfs/dbraw/zinc/13/13/28/1068131328.db2.gz FPFKWXYOAPSHAC-ROUUACIJSA-N 1 0 456.557 3.413 20 0 JGADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCc2ccccc21)[NH+]1CCC(C)CC1 ZINC001305063431 1068132188 /nfs/dbraw/zinc/13/21/88/1068132188.db2.gz PBBMVZIKRQROKP-KNKQGSTJSA-N 1 0 474.675 3.132 20 0 JGADRO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001303602710 1068133145 /nfs/dbraw/zinc/13/31/45/1068133145.db2.gz OZOXPKKHLFYMBC-LZQZEXGQSA-N 1 0 454.600 3.497 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001305063707 1068133264 /nfs/dbraw/zinc/13/32/64/1068133264.db2.gz ZHFFDBYGGYXNNR-HSZRJFAPSA-N 1 0 474.694 3.377 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCC(C)CC1 ZINC001305063760 1068133342 /nfs/dbraw/zinc/13/33/42/1068133342.db2.gz AKKGZIWPRGNKCB-FQEVSTJZSA-N 1 0 461.614 3.120 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305063852 1068134067 /nfs/dbraw/zinc/13/40/67/1068134067.db2.gz BHDBPQNOKHRBSF-LJQANCHMSA-N 1 0 476.616 3.476 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001305065955 1068138027 /nfs/dbraw/zinc/13/80/27/1068138027.db2.gz MFZCUBYTQLNZKR-HSALFYBXSA-N 1 0 462.639 3.006 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001305065961 1068138092 /nfs/dbraw/zinc/13/80/92/1068138092.db2.gz MFZCUBYTQLNZKR-XUVXKRRUSA-N 1 0 462.639 3.006 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C(N)=O)cc1)[NH+]1CCC(C)CC1 ZINC001305066688 1068139148 /nfs/dbraw/zinc/13/91/48/1068139148.db2.gz OSMUAYBUSCZDHT-FQEVSTJZSA-N 1 0 461.614 3.120 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001305067488 1068140718 /nfs/dbraw/zinc/14/07/18/1068140718.db2.gz SGRRWSQUXUVARK-PWRODBHTSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305067829 1068141295 /nfs/dbraw/zinc/14/12/95/1068141295.db2.gz TYVSFRJYFMHXOQ-RTBURBONSA-N 1 0 458.573 3.324 20 0 JGADRO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001303606944 1068142140 /nfs/dbraw/zinc/14/21/40/1068142140.db2.gz UJTQQZDPDYWFRZ-FQEVSTJZSA-N 1 0 470.662 3.342 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCOC1 ZINC001305068547 1068142331 /nfs/dbraw/zinc/14/23/31/1068142331.db2.gz YUSZZNTXIIOMKF-SQJMNOBHSA-N 1 0 456.635 3.471 20 0 JGADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001305068628 1068142341 /nfs/dbraw/zinc/14/23/41/1068142341.db2.gz WZMMWFJHLHWFDL-OTWHNJEPSA-N 1 0 452.594 3.248 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001305068829 1068142772 /nfs/dbraw/zinc/14/27/72/1068142772.db2.gz YGUWWYHIJXSHQP-MOPGFXCFSA-N 1 0 455.607 3.050 20 0 JGADRO C[C@@H](c1ccccc1)N(C)c1nnc(-c2cccnc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303611712 1068146215 /nfs/dbraw/zinc/14/62/15/1068146215.db2.gz TVVCWPGSUAZRIM-NZQKXSOJSA-N 1 0 461.614 3.480 20 0 JGADRO C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001305072701 1068146808 /nfs/dbraw/zinc/14/68/08/1068146808.db2.gz FZVWANCXJPZOGD-ORAYPTAESA-N 1 0 454.800 3.274 20 0 JGADRO C[C@@H]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@]2(O)CC[N@H+](C)C2)[C@H]1C ZINC001305072903 1068146911 /nfs/dbraw/zinc/14/69/11/1068146911.db2.gz VSOTZTUVKIDVRG-LAPQFRIASA-N 1 0 452.372 3.148 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001305075063 1068149143 /nfs/dbraw/zinc/14/91/43/1068149143.db2.gz ARPGWNLKMLXGDU-MOPGFXCFSA-N 1 0 462.664 3.018 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001305081510 1068154195 /nfs/dbraw/zinc/15/41/95/1068154195.db2.gz DDRUUGXYSQXZCE-RTBURBONSA-N 1 0 451.619 3.405 20 0 JGADRO CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001305092719 1068160610 /nfs/dbraw/zinc/16/06/10/1068160610.db2.gz MAKRRFHDZKXNDQ-QFIPXVFZSA-N 1 0 490.693 3.476 20 0 JGADRO CC1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001305092717 1068160671 /nfs/dbraw/zinc/16/06/71/1068160671.db2.gz MAKRRFHDZKXNDQ-JOCHJYFZSA-N 1 0 490.693 3.476 20 0 JGADRO C[C@H]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOCC(F)F)[C@H]1C ZINC001305093798 1068161213 /nfs/dbraw/zinc/16/12/13/1068161213.db2.gz KTYZOLQQZAFQOT-PMACEKPBSA-N 1 0 462.589 3.159 20 0 JGADRO C[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C2CCCC2)C1 ZINC001305098561 1068165460 /nfs/dbraw/zinc/16/54/60/1068165460.db2.gz ZKACBJWWXMFNAI-AZUAARDMSA-N 1 0 462.639 3.307 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305102402 1068168375 /nfs/dbraw/zinc/16/83/75/1068168375.db2.gz SIMNSHAXKYCJDW-PMACEKPBSA-N 1 0 468.712 3.273 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001305102523 1068168936 /nfs/dbraw/zinc/16/89/36/1068168936.db2.gz TYXWDMITKVWGHL-FGZHOGPDSA-N 1 0 460.667 3.035 20 0 JGADRO CC1CC[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001305102942 1068169537 /nfs/dbraw/zinc/16/95/37/1068169537.db2.gz ZSZAEYZIKZKKTF-JOCHJYFZSA-N 1 0 484.693 3.322 20 0 JGADRO CC1CC[NH+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001305103038 1068169557 /nfs/dbraw/zinc/16/95/57/1068169557.db2.gz CODRGOTYELAIKH-JOCHJYFZSA-N 1 0 477.650 3.143 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103263 1068170033 /nfs/dbraw/zinc/17/00/33/1068170033.db2.gz DCDSPCIVDCMBSG-FQEVSTJZSA-N 1 0 486.665 3.429 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103264 1068170072 /nfs/dbraw/zinc/17/00/72/1068170072.db2.gz DCDSPCIVDCMBSG-HXUWFJFHSA-N 1 0 486.665 3.429 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3cccc(Br)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001305103344 1068170531 /nfs/dbraw/zinc/17/05/31/1068170531.db2.gz GKDJQZWIZNSYJZ-UHFFFAOYSA-N 1 0 480.476 3.398 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103322 1068170551 /nfs/dbraw/zinc/17/05/51/1068170551.db2.gz FHXXRPPWRNSJIV-UGKGYDQZSA-N 1 0 492.665 3.491 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103794 1068170959 /nfs/dbraw/zinc/17/09/59/1068170959.db2.gz MZZUSUKPWDLSOQ-CTNGQTDRSA-N 1 0 492.665 3.143 20 0 JGADRO CC1CC[NH+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001305103771 1068170992 /nfs/dbraw/zinc/17/09/92/1068170992.db2.gz NGVAISGYRRZTSM-LJQANCHMSA-N 1 0 495.640 3.283 20 0 JGADRO CC1CC[NH+](CCCCn2c(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)nnc2C(C)(C)C)CC1 ZINC001305103459 1068171045 /nfs/dbraw/zinc/17/10/45/1068171045.db2.gz HJMHBYVKBYWZAA-OAQYLSRUSA-N 1 0 482.739 3.196 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103796 1068171531 /nfs/dbraw/zinc/17/15/31/1068171531.db2.gz MZZUSUKPWDLSOQ-FPOVZHCZSA-N 1 0 492.665 3.143 20 0 JGADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CC(=O)N(C)C)C2)CC1 ZINC001305105446 1068173192 /nfs/dbraw/zinc/17/31/92/1068173192.db2.gz DYSBYTOHMQNVSO-OAQYLSRUSA-N 1 0 456.610 3.045 20 0 JGADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001305106095 1068174106 /nfs/dbraw/zinc/17/41/06/1068174106.db2.gz BIHCESMQBGBSPN-YADHBBJMSA-N 1 0 460.667 3.240 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001303646043 1068174379 /nfs/dbraw/zinc/17/43/79/1068174379.db2.gz ORGUAGXQNKWOKO-BEFAXECRSA-N 1 0 475.435 3.425 20 0 JGADRO CC1CC[NH+](CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001305106956 1068175199 /nfs/dbraw/zinc/17/51/99/1068175199.db2.gz LIXINWTUYPDDJT-UHFFFAOYSA-N 1 0 469.634 3.441 20 0 JGADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[NH+]1CCC(C)CC1 ZINC001305107044 1068175636 /nfs/dbraw/zinc/17/56/36/1068175636.db2.gz NBFPEARVQKTOQU-WOJBJXKFSA-N 1 0 499.685 3.325 20 0 JGADRO O=C(N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1[nH]ncc1I ZINC001305107199 1068175846 /nfs/dbraw/zinc/17/58/46/1068175846.db2.gz IXSAEJWEFYQSNG-PMPSAXMXSA-N 1 0 450.324 3.045 20 0 JGADRO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H]1C ZINC001305107576 1068176766 /nfs/dbraw/zinc/17/67/66/1068176766.db2.gz JRAYLTMAITVVKZ-SBHAEUEKSA-N 1 0 472.609 3.174 20 0 JGADRO CC1CC[NH+](CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001305108412 1068177348 /nfs/dbraw/zinc/17/73/48/1068177348.db2.gz SKLVOZUHCUYOHX-LEWJYISDSA-N 1 0 476.666 3.350 20 0 JGADRO CC1CC[NH+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)OC2CCCC2)CC1 ZINC001305108312 1068177369 /nfs/dbraw/zinc/17/73/69/1068177369.db2.gz VATLQOFQLPZMMV-UHFFFAOYSA-N 1 0 490.674 3.238 20 0 JGADRO CC1CC[NH+](CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001305108378 1068177406 /nfs/dbraw/zinc/17/74/06/1068177406.db2.gz RRVRIBMMDLVXTL-LEWJYISDSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@H]2CCOC2)n1CC[NH+]1CCC(C)CC1 ZINC001305108638 1068177999 /nfs/dbraw/zinc/17/79/99/1068177999.db2.gz VXWQNCAMRDBWCW-FPOVZHCZSA-N 1 0 475.659 3.115 20 0 JGADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc([C@H]2CCOC2)n1CC[NH+]1CCC(C)CC1 ZINC001305108636 1068178007 /nfs/dbraw/zinc/17/80/07/1068178007.db2.gz VXWQNCAMRDBWCW-CTNGQTDRSA-N 1 0 475.659 3.115 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001305109029 1068178385 /nfs/dbraw/zinc/17/83/85/1068178385.db2.gz YHONUAURBDLAAJ-GOSISDBHSA-N 1 0 466.051 3.344 20 0 JGADRO CC1CC[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001305109801 1068180138 /nfs/dbraw/zinc/18/01/38/1068180138.db2.gz UQKSPCIFDRJXAK-GOSISDBHSA-N 1 0 495.550 3.205 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1Cc1ccc(Cl)nc1 ZINC001305110083 1068180693 /nfs/dbraw/zinc/18/06/93/1068180693.db2.gz VWFDIADAQHVIDQ-HXUWFJFHSA-N 1 0 474.053 3.461 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001305110227 1068181142 /nfs/dbraw/zinc/18/11/42/1068181142.db2.gz GMEVIBAAPTVDMB-NNMXDRDESA-N 1 0 489.583 3.207 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CCOC[C@@H]1C ZINC001305110514 1068181252 /nfs/dbraw/zinc/18/12/52/1068181252.db2.gz YZJOGSRDJBHRNF-FDFHNCONSA-N 1 0 460.667 3.037 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001305110623 1068181740 /nfs/dbraw/zinc/18/17/40/1068181740.db2.gz MOUKNDNWRBATOR-QFIPXVFZSA-N 1 0 483.661 3.441 20 0 JGADRO C[C@@H](N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(F)(F)F ZINC001305111432 1068183667 /nfs/dbraw/zinc/18/36/67/1068183667.db2.gz CKFBXQGOLFDMKU-KZNAEPCWSA-N 1 0 472.600 3.191 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC001305111709 1068184018 /nfs/dbraw/zinc/18/40/18/1068184018.db2.gz FPWYGLXIIPSLNS-XPNTWCBSSA-N 1 0 482.673 3.043 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001305111884 1068184881 /nfs/dbraw/zinc/18/48/81/1068184881.db2.gz GUBIPESYLGPGBV-ROUUACIJSA-N 1 0 450.672 3.105 20 0 JGADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305111773 1068184952 /nfs/dbraw/zinc/18/49/52/1068184952.db2.gz CBFPTDBEUHIJBD-NHCUHLMSSA-N 1 0 499.704 3.255 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001305112157 1068185286 /nfs/dbraw/zinc/18/52/86/1068185286.db2.gz JMAGCKNFZHFOIZ-KCZVDYSFSA-N 1 0 456.635 3.013 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303654395 1068186033 /nfs/dbraw/zinc/18/60/33/1068186033.db2.gz VOJQXPHVYVKCHM-VFNWGFHPSA-N 1 0 483.107 3.361 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(F)cc(F)c2)C[C@@H](C)O1 ZINC001305112411 1068186684 /nfs/dbraw/zinc/18/66/84/1068186684.db2.gz LRXOJWHVGOCYHQ-QZTJIDSGSA-N 1 0 490.599 3.203 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCn2cccn2)C[C@H](C)O1 ZINC001305112498 1068186777 /nfs/dbraw/zinc/18/67/77/1068186777.db2.gz IGCNVYIBKNIWRX-ROUUACIJSA-N 1 0 473.025 3.214 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)C[C@H](C)O1 ZINC001305112917 1068188654 /nfs/dbraw/zinc/18/86/54/1068188654.db2.gz QMBGJABTPNLKEW-OYRHEFFESA-N 1 0 497.688 3.112 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001305113353 1068189430 /nfs/dbraw/zinc/18/94/30/1068189430.db2.gz NWHVBOQTZJSSHA-QBPKDAKJSA-N 1 0 467.540 3.258 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCC(C(F)(F)F)CC2)C[C@@H](C)O1 ZINC001305114076 1068191243 /nfs/dbraw/zinc/19/12/43/1068191243.db2.gz XHYIFGXXFZCQFC-ZACQAIPSSA-N 1 0 459.557 3.449 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C3CCC3)nnc2N(CCO)CCc2ccccc2)C[C@H](C)O1 ZINC001305114119 1068191358 /nfs/dbraw/zinc/19/13/58/1068191358.db2.gz XUEWKFNLZJRTTD-OYRHEFFESA-N 1 0 455.647 3.475 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCCCCC1 ZINC001305114288 1068191616 /nfs/dbraw/zinc/19/16/16/1068191616.db2.gz CBJFOPOFKYIODE-MRXNPFEDSA-N 1 0 493.425 3.390 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCOC3)C2)C[C@@H](C)O1 ZINC001305114452 1068192505 /nfs/dbraw/zinc/19/25/05/1068192505.db2.gz YFGXXDNEHRUKLQ-MVOHMCPASA-N 1 0 463.667 3.139 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@H](C)O1 ZINC001305114486 1068192561 /nfs/dbraw/zinc/19/25/61/1068192561.db2.gz YMNWGNCMWCBBKJ-FDFHNCONSA-N 1 0 482.673 3.008 20 0 JGADRO C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303662338 1068193447 /nfs/dbraw/zinc/19/34/47/1068193447.db2.gz DXAYYBYTDIDLIH-VQTJNVASSA-N 1 0 469.634 3.441 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305115912 1068195127 /nfs/dbraw/zinc/19/51/27/1068195127.db2.gz AAELFKSGHUGURS-VQIMIIECSA-N 1 0 472.590 3.028 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305115909 1068195140 /nfs/dbraw/zinc/19/51/40/1068195140.db2.gz AAELFKSGHUGURS-QFBILLFUSA-N 1 0 472.590 3.028 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1([NH+](C)C)CCC1 ZINC001305117120 1068196769 /nfs/dbraw/zinc/19/67/69/1068196769.db2.gz HUKBITDWXWTJSO-IBGZPJMESA-N 1 0 468.646 3.306 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(COc3ccccc3)o2)n1CC(C)(C)C[NH+](C)C ZINC001305117215 1068197211 /nfs/dbraw/zinc/19/72/11/1068197211.db2.gz KFPUNXCKRFFIEB-IBGZPJMESA-N 1 0 480.613 3.372 20 0 JGADRO C[C@H](CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303664454 1068197330 /nfs/dbraw/zinc/19/73/30/1068197330.db2.gz KTYIGYSCJLRUEK-YADHBBJMSA-N 1 0 488.702 3.317 20 0 JGADRO C[C@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303664447 1068197400 /nfs/dbraw/zinc/19/74/00/1068197400.db2.gz KTRRALBJVRHZCW-IFMALSPDSA-N 1 0 482.654 3.264 20 0 JGADRO C[C@H](CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCCC1 ZINC001303666062 1068200119 /nfs/dbraw/zinc/20/01/19/1068200119.db2.gz WMSAQZLHGIWEBK-QZTJIDSGSA-N 1 0 466.051 3.486 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001303666804 1068200868 /nfs/dbraw/zinc/20/08/68/1068200868.db2.gz MDFVWTRYBMOBAH-WTGUMLROSA-N 1 0 491.681 3.013 20 0 JGADRO C[C@@H](CCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001303667657 1068202390 /nfs/dbraw/zinc/20/23/90/1068202390.db2.gz TWCSTBWNANRLHS-IBGZPJMESA-N 1 0 463.630 3.143 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001305120727 1068202580 /nfs/dbraw/zinc/20/25/80/1068202580.db2.gz GBCAFRQQQPRVDJ-XKPYVIEYSA-N 1 0 486.636 3.306 20 0 JGADRO C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303668008 1068202921 /nfs/dbraw/zinc/20/29/21/1068202921.db2.gz WQSWRWSCDNVFOR-YMPZKCBVSA-N 1 0 489.686 3.444 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cc(F)ccc2Br)n1CC1([NH+](C)C)CCCC1 ZINC001305120860 1068203101 /nfs/dbraw/zinc/20/31/01/1068203101.db2.gz XSCUOKNRQPCNDM-HNNXBMFYSA-N 1 0 493.425 3.388 20 0 JGADRO C[C@@H](CCn1c(Cc2ccsc2)nnc1N1CCS(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC001303669029 1068203226 /nfs/dbraw/zinc/20/32/26/1068203226.db2.gz RRHTUMBAZPHPRX-IBGZPJMESA-N 1 0 457.669 3.410 20 0 JGADRO C[C@H](CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC001303669018 1068203391 /nfs/dbraw/zinc/20/33/91/1068203391.db2.gz RQJPJIPEIXQWDN-TZIWHRDSSA-N 1 0 454.619 3.418 20 0 JGADRO C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC001303668822 1068203407 /nfs/dbraw/zinc/20/34/07/1068203407.db2.gz QELKXOKZNPMOJA-AQNXPRMDSA-N 1 0 451.681 3.317 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC001303669907 1068204440 /nfs/dbraw/zinc/20/44/40/1068204440.db2.gz WKSWSRXJFXXIBF-HKUYNNGSSA-N 1 0 487.592 3.479 20 0 JGADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1)[NH+](C)C ZINC001305122891 1068206913 /nfs/dbraw/zinc/20/69/13/1068206913.db2.gz YMLDGEDMKNOAMN-CVEARBPZSA-N 1 0 475.435 3.350 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001305123117 1068207276 /nfs/dbraw/zinc/20/72/76/1068207276.db2.gz DORMJZDLZRBWPW-LJQANCHMSA-N 1 0 468.646 3.003 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001303673880 1068210938 /nfs/dbraw/zinc/21/09/38/1068210938.db2.gz HRGSVMQNRVHSBV-RBUKOAKNSA-N 1 0 450.628 3.163 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303674005 1068211470 /nfs/dbraw/zinc/21/14/70/1068211470.db2.gz IWAHTMVHPFRTKM-OALUTQOASA-N 1 0 464.655 3.206 20 0 JGADRO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001305125429 1068212030 /nfs/dbraw/zinc/21/20/30/1068212030.db2.gz WUDSUXQKLBFLHK-RBUKOAKNSA-N 1 0 455.607 3.050 20 0 JGADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC001305127272 1068213572 /nfs/dbraw/zinc/21/35/72/1068213572.db2.gz KWTVBIPDPHPOLT-GMAHTHKFSA-N 1 0 454.663 3.255 20 0 JGADRO CC(C)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001305129840 1068214932 /nfs/dbraw/zinc/21/49/32/1068214932.db2.gz PWIDFSBOUOTMKU-RLWLMLJZSA-N 1 0 471.646 3.359 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001305131133 1068216031 /nfs/dbraw/zinc/21/60/31/1068216031.db2.gz AGFSHIBJGUICSF-QZTJIDSGSA-N 1 0 454.685 3.025 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccn3C)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001303678677 1068216698 /nfs/dbraw/zinc/21/66/98/1068216698.db2.gz MRYLDIGDTKECNW-SFHVURJKSA-N 1 0 457.648 3.215 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001305134943 1068222572 /nfs/dbraw/zinc/22/25/72/1068222572.db2.gz BSMLOKBKZIJEGT-SWLSCSKDSA-N 1 0 477.329 3.288 20 0 JGADRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(F)F)C1)[NH+](C)C ZINC001303688847 1068227684 /nfs/dbraw/zinc/22/76/84/1068227684.db2.gz PGWLMUSNQXXRFE-HOCLYGCPSA-N 1 0 454.953 3.293 20 0 JGADRO C[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001305137591 1068228186 /nfs/dbraw/zinc/22/81/86/1068228186.db2.gz VYSHASKCMCDIAO-NMLBUPMWSA-N 1 0 494.731 3.129 20 0 JGADRO C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001305137594 1068228400 /nfs/dbraw/zinc/22/84/00/1068228400.db2.gz VYSHASKCMCDIAO-ZRNYENFQSA-N 1 0 494.731 3.129 20 0 JGADRO C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001303689364 1068228825 /nfs/dbraw/zinc/22/88/25/1068228825.db2.gz SGQXCSUGFHNTPY-VQIMIIECSA-N 1 0 463.026 3.063 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001303691164 1068230814 /nfs/dbraw/zinc/23/08/14/1068230814.db2.gz BLDPBAUWSUYEJX-HZPDHXFCSA-N 1 0 488.434 3.256 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(C1)CCCOC2)[NH+](C)C ZINC001303691757 1068231655 /nfs/dbraw/zinc/23/16/55/1068231655.db2.gz IUMJMROCTZQZGC-MGPUTAFESA-N 1 0 451.413 3.003 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001303691983 1068232641 /nfs/dbraw/zinc/23/26/41/1068232641.db2.gz NGSQANRYRBPWTN-MRXNPFEDSA-N 1 0 490.425 3.447 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)NC(C)(C)C)[N@H+](C)C1CC1 ZINC001303692304 1068233594 /nfs/dbraw/zinc/23/35/94/1068233594.db2.gz URGRHGVNGOTJRU-HNNXBMFYSA-N 1 0 464.561 3.380 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001303692326 1068234043 /nfs/dbraw/zinc/23/40/43/1068234043.db2.gz VKBUFOORADJXGI-VWKPWSFCSA-N 1 0 464.408 3.042 20 0 JGADRO C[C@H](Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303692462 1068234102 /nfs/dbraw/zinc/23/41/02/1068234102.db2.gz XKDQSLLSBMALAX-CABCVRRESA-N 1 0 493.425 3.292 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001303692329 1068234150 /nfs/dbraw/zinc/23/41/50/1068234150.db2.gz VKBUFOORADJXGI-ZOCZFRKYSA-N 1 0 464.408 3.042 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccc(O)c2)CC1)[NH+](C)C ZINC001303692526 1068234511 /nfs/dbraw/zinc/23/45/11/1068234511.db2.gz YNSVIOXSNFWVRJ-HNNXBMFYSA-N 1 0 474.407 3.018 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](Cn2cccn2)C1)[NH+](C)C ZINC001303693767 1068236500 /nfs/dbraw/zinc/23/65/00/1068236500.db2.gz JLHACIVEBJPXGO-RDJZCZTQSA-N 1 0 464.401 3.304 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)c2nccs2)CC1 ZINC001303694065 1068236511 /nfs/dbraw/zinc/23/65/11/1068236511.db2.gz DHIAEXMOKNEGHH-QGZVFWFLSA-N 1 0 474.656 3.139 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001303694676 1068237206 /nfs/dbraw/zinc/23/72/06/1068237206.db2.gz PVVCNTVLBBGRNQ-YESZJQIVSA-N 1 0 453.006 3.233 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001303694679 1068237307 /nfs/dbraw/zinc/23/73/07/1068237307.db2.gz PVVCNTVLBBGRNQ-ZACQAIPSSA-N 1 0 453.006 3.233 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(N2CCNC2=O)CC1)[NH+](C)C ZINC001303695639 1068238884 /nfs/dbraw/zinc/23/88/84/1068238884.db2.gz UULXXVLNSJEOJQ-SFHVURJKSA-N 1 0 453.635 3.187 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001303695691 1068239071 /nfs/dbraw/zinc/23/90/71/1068239071.db2.gz VQHITDUEVRAKOU-IAGOWNOFSA-N 1 0 462.042 3.322 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001305143410 1068242274 /nfs/dbraw/zinc/24/22/74/1068242274.db2.gz SULSFQNLTYEKGM-MRXNPFEDSA-N 1 0 464.408 3.044 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)Nc2nncs2)CC1)[NH+](C)C ZINC001303699891 1068242608 /nfs/dbraw/zinc/24/26/08/1068242608.db2.gz MQOUQXXGJBMXSX-AWEZNQCLSA-N 1 0 475.022 3.255 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)CN1CCOCC1)[N@H+](C)C1CC1 ZINC001303700051 1068242705 /nfs/dbraw/zinc/24/27/05/1068242705.db2.gz AIXDISSGJBPQCK-LJQANCHMSA-N 1 0 458.626 3.362 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001305143753 1068242952 /nfs/dbraw/zinc/24/29/52/1068242952.db2.gz LZFZWERLXPSXAR-WOJBJXKFSA-N 1 0 475.659 3.228 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303700328 1068243214 /nfs/dbraw/zinc/24/32/14/1068243214.db2.gz DIYVCHRLLOWJCH-ZWKOTPCHSA-N 1 0 455.607 3.174 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001303700657 1068243746 /nfs/dbraw/zinc/24/37/46/1068243746.db2.gz RPTFWHPWGZOLRS-IBGZPJMESA-N 1 0 453.635 3.496 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCC2)CCN1CC(F)(F)F ZINC001305145156 1068245440 /nfs/dbraw/zinc/24/54/40/1068245440.db2.gz DPRPEPADPUALBP-OAHLLOKOSA-N 1 0 457.932 3.162 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[N@H+](C)C1CC1 ZINC001303701514 1068245785 /nfs/dbraw/zinc/24/57/85/1068245785.db2.gz QZFJNWCWRBVRSW-OAHLLOKOSA-N 1 0 457.529 3.119 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001305145228 1068245927 /nfs/dbraw/zinc/24/59/27/1068245927.db2.gz FLCHWAHJLLGUBO-PMAPCBKXSA-N 1 0 463.026 3.497 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001305145311 1068246433 /nfs/dbraw/zinc/24/64/33/1068246433.db2.gz XQYUVVISPDOQHJ-OPYAIIAOSA-N 1 0 486.642 3.184 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+](C)C2CCCCC2)CC(=O)N1C ZINC001305145440 1068246539 /nfs/dbraw/zinc/24/65/39/1068246539.db2.gz GAQGXHXOGXDCOX-KRWDZBQOSA-N 1 0 460.026 3.315 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+](C)C2CCCCC2)CC(=O)N1C ZINC001305145441 1068246651 /nfs/dbraw/zinc/24/66/51/1068246651.db2.gz GAQGXHXOGXDCOX-QGZVFWFLSA-N 1 0 460.026 3.315 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001305145623 1068247143 /nfs/dbraw/zinc/24/71/43/1068247143.db2.gz ZVKPSMMYJSPBNL-LJQANCHMSA-N 1 0 489.686 3.474 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001305145622 1068247182 /nfs/dbraw/zinc/24/71/82/1068247182.db2.gz ZVKPSMMYJSPBNL-IBGZPJMESA-N 1 0 489.686 3.474 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303703400 1068247486 /nfs/dbraw/zinc/24/74/86/1068247486.db2.gz PFCSZZVIYCRDFQ-RTBURBONSA-N 1 0 455.651 3.145 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC(=O)N1C ZINC001305146612 1068247627 /nfs/dbraw/zinc/24/76/27/1068247627.db2.gz NYQZYOYIQWZPFF-GOSISDBHSA-N 1 0 498.031 3.039 20 0 JGADRO C[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303706364 1068250583 /nfs/dbraw/zinc/25/05/83/1068250583.db2.gz ZINJLUUGXXWQCK-MSOLQXFVSA-N 1 0 467.618 3.490 20 0 JGADRO C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+](C)C ZINC001303706569 1068251271 /nfs/dbraw/zinc/25/12/71/1068251271.db2.gz BCURIEYPSFMJEX-LJQANCHMSA-N 1 0 467.618 3.097 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCS1 ZINC001305148482 1068251507 /nfs/dbraw/zinc/25/15/07/1068251507.db2.gz YVUOPTQHTWKLAZ-FUHWJXTLSA-N 1 0 451.040 3.172 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCS1 ZINC001305148485 1068251704 /nfs/dbraw/zinc/25/17/04/1068251704.db2.gz YVUOPTQHTWKLAZ-SJLPKXTDSA-N 1 0 451.040 3.172 20 0 JGADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001303707537 1068252792 /nfs/dbraw/zinc/25/27/92/1068252792.db2.gz IVPXKRASTVRNSB-IERDGZPVSA-N 1 0 458.010 3.232 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001303708403 1068254544 /nfs/dbraw/zinc/25/45/44/1068254544.db2.gz PHOCBZSEQPLMQP-TZIWHRDSSA-N 1 0 492.628 3.359 20 0 JGADRO C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1)[NH+](C)C ZINC001303708452 1068254628 /nfs/dbraw/zinc/25/46/28/1068254628.db2.gz OXVQWCZLQFMVEZ-LLVKDONJSA-N 1 0 482.429 3.277 20 0 JGADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303708933 1068255186 /nfs/dbraw/zinc/25/51/86/1068255186.db2.gz SEGRBVWJQIWHEG-RTBURBONSA-N 1 0 490.578 3.272 20 0 JGADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ncc(Cl)n1C)[N@H+](C)Cc1ccccc1 ZINC001303709637 1068255719 /nfs/dbraw/zinc/25/57/19/1068255719.db2.gz XVMZBDJSHIARLP-KRWDZBQOSA-N 1 0 465.993 3.279 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001305150420 1068255832 /nfs/dbraw/zinc/25/58/32/1068255832.db2.gz KVRRGFMYPYWNLG-JXFKEZNVSA-N 1 0 478.519 3.228 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C(F)(F)F)[N@H+](C)C1CC1 ZINC001303714344 1068260201 /nfs/dbraw/zinc/26/02/01/1068260201.db2.gz YEBNPRWJSOAKCF-KBXCAEBGSA-N 1 0 450.509 3.367 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303715125 1068261072 /nfs/dbraw/zinc/26/10/72/1068261072.db2.gz AJHDUIKGUMEGAJ-AQNXPRMDSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1)[NH+](C)C ZINC001303715702 1068262364 /nfs/dbraw/zinc/26/23/64/1068262364.db2.gz AZAPFSZTSWXIDC-YLJYHZDGSA-N 1 0 461.010 3.086 20 0 JGADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1[C@H]1CCCO1)[NH+](C)C ZINC001303715729 1068262509 /nfs/dbraw/zinc/26/25/09/1068262509.db2.gz DXQRMUIHFPLJBK-HMXCVIKNSA-N 1 0 476.666 3.491 20 0 JGADRO C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H]1CCOC1)[N@H+](C)C1CC1 ZINC001303715881 1068263326 /nfs/dbraw/zinc/26/33/26/1068263326.db2.gz FHBQEVROESXXAD-RBUKOAKNSA-N 1 0 476.666 3.348 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303716859 1068264279 /nfs/dbraw/zinc/26/42/79/1068264279.db2.gz JHYJGOVTMALYSZ-VQTJNVASSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303716855 1068264382 /nfs/dbraw/zinc/26/43/82/1068264382.db2.gz JHYJGOVTMALYSZ-PMACEKPBSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305157032 1068265710 /nfs/dbraw/zinc/26/57/10/1068265710.db2.gz YDOGRQMZRJXTOC-YVHKJVDXSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCCC[NH+]2CCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305163262 1068271440 /nfs/dbraw/zinc/27/14/40/1068271440.db2.gz DPXWOJGBIWJOHK-MJGOQNOKSA-N 1 0 469.556 3.491 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+](C)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001305163642 1068272592 /nfs/dbraw/zinc/27/25/92/1068272592.db2.gz ANZCJSKWIVRGEU-HXUWFJFHSA-N 1 0 492.628 3.313 20 0 JGADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)N1CCOCC1 ZINC001303723415 1068273895 /nfs/dbraw/zinc/27/38/95/1068273895.db2.gz GRVJESQVBSAWBJ-JOCHJYFZSA-N 1 0 454.663 3.300 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC[NH+](C)C)C[C@@H](C)S1 ZINC001305164375 1068274256 /nfs/dbraw/zinc/27/42/56/1068274256.db2.gz LRQNPYQYWPYRKS-RTBURBONSA-N 1 0 455.632 3.039 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305164624 1068274272 /nfs/dbraw/zinc/27/42/72/1068274272.db2.gz IOIOVPDXCMEUDT-DYXWJJEUSA-N 1 0 484.649 3.205 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC[NH+](C)C)C[C@H](C)S1 ZINC001305164373 1068274291 /nfs/dbraw/zinc/27/42/91/1068274291.db2.gz LRQNPYQYWPYRKS-OALUTQOASA-N 1 0 455.632 3.039 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001303723685 1068274432 /nfs/dbraw/zinc/27/44/32/1068274432.db2.gz UPASAVNTAUBEPV-RBUKOAKNSA-N 1 0 464.655 3.348 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCSCC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC001305164730 1068274617 /nfs/dbraw/zinc/27/46/17/1068274617.db2.gz JNWUOYJEEXRVRT-OAHLLOKOSA-N 1 0 455.554 3.341 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001303725262 1068276738 /nfs/dbraw/zinc/27/67/38/1068276738.db2.gz UDEGDHKCDRKZSP-QYZOEREBSA-N 1 0 464.655 3.409 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C1CCC1)[NH+](C)C ZINC001303725479 1068277525 /nfs/dbraw/zinc/27/75/25/1068277525.db2.gz VUSFZAUVORGSTB-YZGWKJHDSA-N 1 0 462.639 3.306 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001305166994 1068277823 /nfs/dbraw/zinc/27/78/23/1068277823.db2.gz JCODWPCCMTZHRV-QAPCUYQASA-N 1 0 493.534 3.480 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303727028 1068280457 /nfs/dbraw/zinc/28/04/57/1068280457.db2.gz IXYJJAQIRJMNRA-FXAWDEMLSA-N 1 0 460.598 3.404 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303727029 1068280575 /nfs/dbraw/zinc/28/05/75/1068280575.db2.gz IXYJJAQIRJMNRA-PXNSSMCTSA-N 1 0 460.598 3.404 20 0 JGADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303728157 1068282390 /nfs/dbraw/zinc/28/23/90/1068282390.db2.gz PVFKBRNISSWAEN-YLNUKYHNSA-N 1 0 458.582 3.062 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303728834 1068283318 /nfs/dbraw/zinc/28/33/18/1068283318.db2.gz VMMWDALOVXSXMQ-XLIONFOSSA-N 1 0 460.598 3.452 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305173710 1068286200 /nfs/dbraw/zinc/28/62/00/1068286200.db2.gz FKFDFCRJCMATSZ-SQNIBIBYSA-N 1 0 459.557 3.450 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CC2CC2)CC1)N(C)C(=O)OC(C)(C)C 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ZINC001305183259 1068301144 /nfs/dbraw/zinc/30/11/44/1068301144.db2.gz JROXVPQVXRYSQG-KDYSTLNUSA-N 1 0 485.673 3.434 20 0 JGADRO C[C@@H](Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1C1(c2ccccc2)CCC1)[NH+](C)C ZINC001303742628 1068301253 /nfs/dbraw/zinc/30/12/53/1068301253.db2.gz CAOVIWGZIYKQCW-SFHVURJKSA-N 1 0 450.553 3.383 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183707 1068301721 /nfs/dbraw/zinc/30/17/21/1068301721.db2.gz RMSIDPITESPJDT-UFYCRDLUSA-N 1 0 451.681 3.173 20 0 JGADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC001303743376 1068302427 /nfs/dbraw/zinc/30/24/27/1068302427.db2.gz AUICHTMLURSGNF-FPOVZHCZSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1)[NH+](C)C ZINC001303743472 1068302673 /nfs/dbraw/zinc/30/26/73/1068302673.db2.gz CFDRAVTVCTZYLY-XUVXKRRUSA-N 1 0 481.707 3.085 20 0 JGADRO 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20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC001303744225 1068303870 /nfs/dbraw/zinc/30/38/70/1068303870.db2.gz CCBDFVJJIFNGHM-IRXDYDNUSA-N 1 0 475.435 3.106 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)C1)C[NH+]1CCCC1 ZINC001303744165 1068304189 /nfs/dbraw/zinc/30/41/89/1068304189.db2.gz BAVBYZMMZWRRFX-PGYGNJIDSA-N 1 0 463.623 3.265 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303744238 1068304382 /nfs/dbraw/zinc/30/43/82/1068304382.db2.gz GPGYLYJIKPYYIJ-UNMCSNQZSA-N 1 0 454.619 3.196 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC001303744353 1068304621 /nfs/dbraw/zinc/30/46/21/1068304621.db2.gz HINUXJAISMVTOK-KZNAEPCWSA-N 1 0 481.613 3.388 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305186490 1068304737 /nfs/dbraw/zinc/30/47/37/1068304737.db2.gz DXLWUPNCDLHIDC-MOPGFXCFSA-N 1 0 477.600 3.388 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001303745850 1068306558 /nfs/dbraw/zinc/30/65/58/1068306558.db2.gz PXRPSKWJVXFDPA-LMMKCTJWSA-N 1 0 452.525 3.152 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001305187886 1068307018 /nfs/dbraw/zinc/30/70/18/1068307018.db2.gz GBPXLWPNCJDTCY-KNQAVFIVSA-N 1 0 489.064 3.080 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H](C)C[NH+]1CCCC1 ZINC001303746167 1068306892 /nfs/dbraw/zinc/30/68/92/1068306892.db2.gz KBCCDULNFVJKDJ-MRXNPFEDSA-N 1 0 450.990 3.430 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CCCS(C)(=O)=O)C[NH+]1CCCC1 ZINC001303746189 1068307107 /nfs/dbraw/zinc/30/71/07/1068307107.db2.gz KLATVFRNMUDUBZ-QGZVFWFLSA-N 1 0 454.040 3.201 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C[NH+]1CCCC1 ZINC001303746606 1068307413 /nfs/dbraw/zinc/30/74/13/1068307413.db2.gz MQZQLRZWDLMUSE-IAGOWNOFSA-N 1 0 482.526 3.321 20 0 JGADRO 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C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC(C)(C)O1 ZINC001305189701 1068309557 /nfs/dbraw/zinc/30/95/57/1068309557.db2.gz AARFWLFPXAOAFS-OAQYLSRUSA-N 1 0 478.641 3.451 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305190142 1068310490 /nfs/dbraw/zinc/31/04/90/1068310490.db2.gz DWISRZFSVJUGFX-XLIONFOSSA-N 1 0 498.569 3.190 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC001305189961 1068310667 /nfs/dbraw/zinc/31/06/67/1068310667.db2.gz XEPDTYJPMJIXRO-QGZVFWFLSA-N 1 0 464.630 3.115 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC001305189960 1068310850 /nfs/dbraw/zinc/31/08/50/1068310850.db2.gz XEPDTYJPMJIXRO-KRWDZBQOSA-N 1 0 464.630 3.115 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001305190343 1068312069 /nfs/dbraw/zinc/31/20/69/1068312069.db2.gz RDLRDPAUJRWBKN-YLJYHZDGSA-N 1 0 459.038 3.310 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)CC3CCOCC3)n2C[C@@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303753203 1068314659 /nfs/dbraw/zinc/31/46/59/1068314659.db2.gz LYBJXVFQCBFLLM-OFVILXPXSA-N 1 0 463.667 3.304 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001303753570 1068315428 /nfs/dbraw/zinc/31/54/28/1068315428.db2.gz CJIKGDZAMGFJDS-OAGGEKHMSA-N 1 0 484.464 3.351 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001305192272 1068315535 /nfs/dbraw/zinc/31/55/35/1068315535.db2.gz PEGIBFNPHKBFKH-LZQZEXGQSA-N 1 0 469.508 3.287 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)C[NH+]1CCOCC1 ZINC001303753871 1068316212 /nfs/dbraw/zinc/31/62/12/1068316212.db2.gz FDHZQJMEYFUMGE-VYDXJSESSA-N 1 0 488.942 3.118 20 0 JGADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC001303754440 1068317208 /nfs/dbraw/zinc/31/72/08/1068317208.db2.gz RUXAVRYFVDEJEG-RDGATRHJSA-N 1 0 495.716 3.337 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C[NH+]1CCCCC1 ZINC001303754547 1068317301 /nfs/dbraw/zinc/31/73/01/1068317301.db2.gz INCYMPOQOWYLBK-DXBBTUNJSA-N 1 0 495.734 3.332 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCCCC1)C[NH+]1CCOCC1 ZINC001303754962 1068317832 /nfs/dbraw/zinc/31/78/32/1068317832.db2.gz KKXDQBMZOPQORC-KRWDZBQOSA-N 1 0 465.440 3.395 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCNC(=O)OC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001305193723 1068318006 /nfs/dbraw/zinc/31/80/06/1068318006.db2.gz CKMIOVCCZZENKK-HXUWFJFHSA-N 1 0 483.661 3.489 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C[NH+]1CCCCC1 ZINC001303755277 1068318531 /nfs/dbraw/zinc/31/85/31/1068318531.db2.gz VRLMTWZDRVCFFV-IBGZPJMESA-N 1 0 477.650 3.143 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC001305194541 1068318997 /nfs/dbraw/zinc/31/89/97/1068318997.db2.gz AAUADLXDWYNMHF-SFTDATJTSA-N 1 0 464.614 3.256 20 0 JGADRO 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C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1c(F)cccc1Cl)C[NH+]1CCOCC1 ZINC001303759496 1068324747 /nfs/dbraw/zinc/32/47/47/1068324747.db2.gz RTOUXHCKXNCVCN-MRXNPFEDSA-N 1 0 461.973 3.076 20 0 JGADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)C[NH+]1CCOCC1 ZINC001303760079 1068325861 /nfs/dbraw/zinc/32/58/61/1068325861.db2.gz ATLRTGSGTDJSSI-FPOVZHCZSA-N 1 0 488.702 3.030 20 0 JGADRO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001303763167 1068331456 /nfs/dbraw/zinc/33/14/56/1068331456.db2.gz VLBNBKZUYMYEDE-QRVBRYPASA-N 1 0 457.623 3.117 20 0 JGADRO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001303764623 1068335099 /nfs/dbraw/zinc/33/50/99/1068335099.db2.gz GIQTXEBXGRFVHR-GMAHTHKFSA-N 1 0 498.672 3.308 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001305208149 1068336614 /nfs/dbraw/zinc/33/66/14/1068336614.db2.gz HWQGXDCAGNFLLB-MJGOQNOKSA-N 1 0 460.648 3.004 20 0 JGADRO 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C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)C(C)(C)C ZINC001305224649 1068366980 /nfs/dbraw/zinc/36/69/80/1068366980.db2.gz RQFPTHARSQPJMB-IFMALSPDSA-N 1 0 473.687 3.340 20 0 JGADRO C[C@@H]1C[N@H+](CCCn2c(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224676 1068367429 /nfs/dbraw/zinc/36/74/29/1068367429.db2.gz YLUIUKHIWGVAAW-WOJBJXKFSA-N 1 0 462.683 3.208 20 0 JGADRO C[C@@H]1C[N@H+](CCCn2c(N3CCC[C@H](NC(=O)C(C)(C)C)C3)nnc2C(C)(C)C)CCCO1 ZINC001305224668 1068367658 /nfs/dbraw/zinc/36/76/58/1068367658.db2.gz YLUIUKHIWGVAAW-UXHICEINSA-N 1 0 462.683 3.208 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CCCCNC(=O)OC(C)(C)C ZINC001305225031 1068368113 /nfs/dbraw/zinc/36/81/13/1068368113.db2.gz SLGIJBIFKGYAFM-TZIWHRDSSA-N 1 0 469.634 3.242 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)C2CCCC2)CC1)C(F)(F)F ZINC001303787998 1068369674 /nfs/dbraw/zinc/36/96/74/1068369674.db2.gz JFSVGWIZKBQKPH-QGZVFWFLSA-N 1 0 451.541 3.287 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305226349 1068370124 /nfs/dbraw/zinc/37/01/24/1068370124.db2.gz YPXJVSCAXZCESW-MJGOQNOKSA-N 1 0 491.587 3.097 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCSCC2)CC1)C(F)(F)F ZINC001303788549 1068370835 /nfs/dbraw/zinc/37/08/35/1068370835.db2.gz NMNUDRLAEUCMLN-HNNXBMFYSA-N 1 0 489.999 3.115 20 0 JGADRO C[C@@H](N1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCCC3)CCOCC2)CC1)C(F)(F)F ZINC001303789815 1068373549 /nfs/dbraw/zinc/37/35/49/1068373549.db2.gz RNPPRSZTQKKTKH-GOSISDBHSA-N 1 0 472.600 3.293 20 0 JGADRO C[C@H]1COCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C1CCCCC1 ZINC001305232780 1068378870 /nfs/dbraw/zinc/37/88/70/1068378870.db2.gz SDTKBYCHLYQPOZ-FPOVZHCZSA-N 1 0 492.665 3.076 20 0 JGADRO C[C@H](N1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+](C)C2CCCCC2)CC1)C(F)(F)F ZINC001303794714 1068380171 /nfs/dbraw/zinc/38/01/71/1068380171.db2.gz COKBJKXCRMMMKO-PKOBYXMFSA-N 1 0 458.573 3.467 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303795822 1068383883 /nfs/dbraw/zinc/38/38/83/1068383883.db2.gz GLVROBFTESVPBM-HAGHYFMRSA-N 1 0 476.666 3.394 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303795825 1068383925 /nfs/dbraw/zinc/38/39/25/1068383925.db2.gz GLVROBFTESVPBM-WCIQWLHISA-N 1 0 476.666 3.394 20 0 JGADRO C[C@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305236544 1068386095 /nfs/dbraw/zinc/38/60/95/1068386095.db2.gz HUIJEXRCGLUKLB-KRWDZBQOSA-N 1 0 464.630 3.115 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCOCC[NH+](C)C)C1 ZINC001303797416 1068388122 /nfs/dbraw/zinc/38/81/22/1068388122.db2.gz KVTSMERBYUNUMU-UYAOXDASSA-N 1 0 464.655 3.253 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccn3)n2CCCC[NH+]2CCOCC2)C1 ZINC001303798812 1068391393 /nfs/dbraw/zinc/39/13/93/1068391393.db2.gz SJUXPXGVYQGBDJ-SFTDATJTSA-N 1 0 499.660 3.192 20 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C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001303800590 1068395409 /nfs/dbraw/zinc/39/54/09/1068395409.db2.gz ZFUVOMDWGNOVOP-QZTJIDSGSA-N 1 0 472.638 3.062 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CC=CCC2)C1 ZINC001303801283 1068397110 /nfs/dbraw/zinc/39/71/10/1068397110.db2.gz VIOJSEOTOUWPAX-VQTJNVASSA-N 1 0 482.633 3.127 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001303801511 1068397649 /nfs/dbraw/zinc/39/76/49/1068397649.db2.gz WVJCGMYYXOZPHL-JBACZVJFSA-N 1 0 476.666 3.132 20 0 JGADRO CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)c2)cc1 ZINC001303802373 1068399389 /nfs/dbraw/zinc/39/93/89/1068399389.db2.gz VLGNDXNAVFINMU-XOBRGWDASA-N 1 0 451.976 3.362 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1)c1ccccc1 ZINC001303802802 1068399551 /nfs/dbraw/zinc/39/95/51/1068399551.db2.gz DJXBGJKBECFCNQ-IEBWSBKVSA-N 1 0 488.683 3.403 20 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TXAIERSLRCKWAZ-XYJFISCASA-N 1 0 466.677 3.164 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@H]2CCCO2)nnc1N(C)CCN1CCOCC1)c1ccccc1 ZINC001303805141 1068407470 /nfs/dbraw/zinc/40/74/70/1068407470.db2.gz XKHQOAKEOJJIHF-IFMALSPDSA-N 1 0 456.635 3.027 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccccc1 ZINC001303805191 1068407491 /nfs/dbraw/zinc/40/74/91/1068407491.db2.gz XYEOCSWGGSQKKL-RBUKOAKNSA-N 1 0 474.675 3.145 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001303805421 1068408103 /nfs/dbraw/zinc/40/81/03/1068408103.db2.gz YNILUUNBMOAJMV-CEWLAPEOSA-N 1 0 475.659 3.272 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C[C@H]1CC1(C)C ZINC001303805607 1068409612 /nfs/dbraw/zinc/40/96/12/1068409612.db2.gz GCYXQZPHHAUILW-CEWLAPEOSA-N 1 0 474.675 3.035 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001303807618 1068413464 /nfs/dbraw/zinc/41/34/64/1068413464.db2.gz BCQMJAOYCCPSJG-UXHICEINSA-N 1 0 499.685 3.337 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@@H]1CC1(C)C ZINC001303808841 1068415547 /nfs/dbraw/zinc/41/55/47/1068415547.db2.gz SWTHYYVLPMEGPU-ICSRJNTNSA-N 1 0 474.675 3.035 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303809234 1068416111 /nfs/dbraw/zinc/41/61/11/1068416111.db2.gz HEIAVMBPKRKMDK-ROUUACIJSA-N 1 0 483.082 3.443 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001305256092 1068419420 /nfs/dbraw/zinc/41/94/20/1068419420.db2.gz PKQKGEPVXQGAQJ-DXIQSLLYSA-N 1 0 491.727 3.399 20 0 JGADRO C[C@@H]1SCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2([NH+](C)C)CCSC2)[C@H]1C ZINC001305256594 1068419930 /nfs/dbraw/zinc/41/99/30/1068419930.db2.gz HWAWBCWZALSYDD-QYWGDWMGSA-N 1 0 480.729 3.037 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc(CN2CCCC2=O)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305256970 1068419949 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/nfs/dbraw/zinc/43/20/72/1068432072.db2.gz FUTUHAZZMXBINK-PMACEKPBSA-N 1 0 488.080 3.120 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001305262427 1068434053 /nfs/dbraw/zinc/43/40/53/1068434053.db2.gz BJQKKLRGSFIUSO-QGZVFWFLSA-N 1 0 494.482 3.129 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2c(F)cccc2F)C2CC2)n1CC[NH+]1CCCCCC1 ZINC001303820245 1068436115 /nfs/dbraw/zinc/43/61/15/1068436115.db2.gz MHDPCPHCTNXRQH-QGZVFWFLSA-N 1 0 496.628 3.212 20 0 JGADRO CC(C)N(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCCCCC1 ZINC001303820875 1068438171 /nfs/dbraw/zinc/43/81/71/1068438171.db2.gz UDJORQXNPKKKJG-GOSISDBHSA-N 1 0 468.693 3.241 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC001305264386 1068441681 /nfs/dbraw/zinc/44/16/81/1068441681.db2.gz FPIOUIPRVWFUFS-AGILITTLSA-N 1 0 482.673 3.292 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001305265091 1068444220 /nfs/dbraw/zinc/44/42/20/1068444220.db2.gz MCISOHDDLTXOKF-GHTZIAJQSA-N 1 0 496.612 3.353 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001305265106 1068444288 /nfs/dbraw/zinc/44/42/88/1068444288.db2.gz MCISOHDDLTXOKF-WIYYLYMNSA-N 1 0 496.612 3.353 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001305265598 1068446221 /nfs/dbraw/zinc/44/62/21/1068446221.db2.gz HNJZCPAAQJBBCH-RBBKRZOGSA-N 1 0 454.619 3.001 20 0 JGADRO CC(C)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303828314 1068448942 /nfs/dbraw/zinc/44/89/42/1068448942.db2.gz MXTYFPXMMWEFQX-WIYYLYMNSA-N 1 0 462.664 3.064 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001305267133 1068452681 /nfs/dbraw/zinc/45/26/81/1068452681.db2.gz KOIPSDYSGKFWQA-NRFANRHFSA-N 1 0 484.645 3.093 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C)[NH+]1CCCC1 ZINC001303829932 1068452819 /nfs/dbraw/zinc/45/28/19/1068452819.db2.gz FWSSFUXTLGUZNT-BAMDZGJYSA-N 1 0 488.702 3.391 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001303830431 1068454035 /nfs/dbraw/zinc/45/40/35/1068454035.db2.gz YEBGVJHKLKLEFQ-LJQANCHMSA-N 1 0 474.675 3.159 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001305267747 1068456057 /nfs/dbraw/zinc/45/60/57/1068456057.db2.gz MVOLFZRTXWXPDS-JOCHJYFZSA-N 1 0 468.646 3.419 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(C)C)CC1 ZINC001303833262 1068460711 /nfs/dbraw/zinc/46/07/11/1068460711.db2.gz FVPMPMDOZHNKAT-SFHVURJKSA-N 1 0 456.701 3.127 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001305269171 1068460772 /nfs/dbraw/zinc/46/07/72/1068460772.db2.gz TZHFELJGBXPKLK-BJKOFHAPSA-N 1 0 482.673 3.359 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CC1(C)C ZINC001303833382 1068461320 /nfs/dbraw/zinc/46/13/20/1068461320.db2.gz HBRZUGOZEWKXCB-IRFCIJBXSA-N 1 0 480.723 3.415 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001305269771 1068463523 /nfs/dbraw/zinc/46/35/23/1068463523.db2.gz VGVSWYBOEYMPLN-HXUWFJFHSA-N 1 0 456.635 3.059 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001305270085 1068464236 /nfs/dbraw/zinc/46/42/36/1068464236.db2.gz VYTYJABKHDONBV-RBUKOAKNSA-N 1 0 460.026 3.363 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001303837646 1068467684 /nfs/dbraw/zinc/46/76/84/1068467684.db2.gz AWEVIJVSQCGNAS-VQIMIIECSA-N 1 0 498.719 3.037 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC(C)(C)c1cccc(F)c1 ZINC001303839728 1068469020 /nfs/dbraw/zinc/46/90/20/1068469020.db2.gz PCWIBYYSTUVXLR-RXVVDRJESA-N 1 0 492.665 3.070 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001305271660 1068469777 /nfs/dbraw/zinc/46/97/77/1068469777.db2.gz VGDFNQLHHLBLLJ-PKTZIBPZSA-N 1 0 452.647 3.433 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001305272241 1068471115 /nfs/dbraw/zinc/47/11/15/1068471115.db2.gz TUHJYVIEJOLMKJ-LEWJYISDSA-N 1 0 454.619 3.145 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305272949 1068474047 /nfs/dbraw/zinc/47/40/47/1068474047.db2.gz ZBULBGZWXJGRHL-RBUKOAKNSA-N 1 0 474.600 3.374 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(Cl)cc3C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303844648 1068476403 /nfs/dbraw/zinc/47/64/03/1068476403.db2.gz TVGUCRWTBMNWQJ-QGZVFWFLSA-N 1 0 495.093 3.369 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1)[NH+]1CCCC1 ZINC001303844831 1068477437 /nfs/dbraw/zinc/47/74/37/1068477437.db2.gz VNQAVQIPVGXQAP-DYESRHJHSA-N 1 0 495.093 3.225 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001303845334 1068479401 /nfs/dbraw/zinc/47/94/01/1068479401.db2.gz MSRNBEOTDWTVCZ-NNMXDRDESA-N 1 0 474.675 3.156 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001305280846 1068484057 /nfs/dbraw/zinc/48/40/57/1068484057.db2.gz ZNLJZKISKFVBFL-YYTDSSBASA-N 1 0 474.694 3.424 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCCC3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303850957 1068487300 /nfs/dbraw/zinc/48/73/00/1068487300.db2.gz ACNDDIPUORGLPA-IBGZPJMESA-N 1 0 466.696 3.313 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC001303851620 1068490361 /nfs/dbraw/zinc/49/03/61/1068490361.db2.gz GQAZVYPOZVUZNP-GIVPXCGWSA-N 1 0 474.675 3.003 20 0 JGADRO CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001305288882 1068491490 /nfs/dbraw/zinc/49/14/90/1068491490.db2.gz SOHSBIWNQUPDCH-SFHVURJKSA-N 1 0 474.675 3.395 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303852524 1068491541 /nfs/dbraw/zinc/49/15/41/1068491541.db2.gz LRMAHZODXLHCCZ-DBVUQKKJSA-N 1 0 490.605 3.265 20 0 JGADRO CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001305289245 1068491989 /nfs/dbraw/zinc/49/19/89/1068491989.db2.gz IKUXHVFSPDZTSP-ZJCBTPCYSA-N 1 0 456.635 3.067 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303852527 1068492055 /nfs/dbraw/zinc/49/20/55/1068492055.db2.gz LRMAHZODXLHCCZ-FFZOFVMBSA-N 1 0 490.605 3.265 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccc(O)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303853231 1068493025 /nfs/dbraw/zinc/49/30/25/1068493025.db2.gz OPRRKEGEKLHQHL-GHTZIAJQSA-N 1 0 490.674 3.057 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccccc2)n1CC[N@H+](C)C1CCCC1 ZINC001303853150 1068493111 /nfs/dbraw/zinc/49/31/11/1068493111.db2.gz NZSMRGWOAPUASD-NQIIRXRSSA-N 1 0 460.648 3.104 20 0 JGADRO CC[C@@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001305290640 1068493797 /nfs/dbraw/zinc/49/37/97/1068493797.db2.gz ZHCDRSZDLWNFRH-UQBPGWFLSA-N 1 0 475.609 3.267 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCCc2ccccc21 ZINC001303856645 1068496999 /nfs/dbraw/zinc/49/69/99/1068496999.db2.gz ZCOPRJOBFVAANX-TZIWHRDSSA-N 1 0 488.702 3.319 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCOC1CCCCCC1 ZINC001303857657 1068498145 /nfs/dbraw/zinc/49/81/45/1068498145.db2.gz IWPPTACVHAKJFJ-HXUWFJFHSA-N 1 0 496.722 3.082 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(Cl)s1 ZINC001303865257 1068501922 /nfs/dbraw/zinc/50/19/22/1068501922.db2.gz POSYCTSNICRGFP-HNNXBMFYSA-N 1 0 489.111 3.210 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1coc2ccccc12 ZINC001303865948 1068502719 /nfs/dbraw/zinc/50/27/19/1068502719.db2.gz WNDNQKLPTOZVDZ-SFHVURJKSA-N 1 0 488.658 3.241 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001305302091 1068511381 /nfs/dbraw/zinc/51/13/81/1068511381.db2.gz QOVLEEHHWOAPHZ-HSZRJFAPSA-N 1 0 458.010 3.205 20 0 JGADRO C[C@](O)(C1CCN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1)C(F)(F)F ZINC001303881123 1068519353 /nfs/dbraw/zinc/51/93/53/1068519353.db2.gz VGFJMTNFSZXEDH-XXBNENTESA-N 1 0 496.578 3.107 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC1([NH+](C)C)CCC1 ZINC001303893065 1068531053 /nfs/dbraw/zinc/53/10/53/1068531053.db2.gz OXEGPVDCBCJXEZ-QGZVFWFLSA-N 1 0 460.598 3.392 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)C(C)C ZINC001303895540 1068533315 /nfs/dbraw/zinc/53/33/15/1068533315.db2.gz NMHHJKRKWXPTAM-KOSHJBKYSA-N 1 0 460.598 3.378 20 0 JGADRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001305319763 1068536644 /nfs/dbraw/zinc/53/66/44/1068536644.db2.gz GERFHOSUQUNTQL-YDIMBITNSA-N 1 0 477.053 3.339 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303903506 1068547411 /nfs/dbraw/zinc/54/74/11/1068547411.db2.gz RQHBAOVSEORKOP-OFNKIYASSA-N 1 0 488.652 3.446 20 0 JGADRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001305325838 1068547511 /nfs/dbraw/zinc/54/75/11/1068547511.db2.gz KHRUBXLFBAHGTH-AJTFRIOCSA-N 1 0 477.657 3.396 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(F)(F)F ZINC001303904260 1068548637 /nfs/dbraw/zinc/54/86/37/1068548637.db2.gz WAEIUBVOMAZFPH-CVEARBPZSA-N 1 0 457.472 3.278 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)[C@H]2CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001303905238 1068550092 /nfs/dbraw/zinc/55/00/92/1068550092.db2.gz LCRWCQAKNLQZIS-HKUYNNGSSA-N 1 0 464.010 3.407 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001305331043 1068557958 /nfs/dbraw/zinc/55/79/58/1068557958.db2.gz UMBAXYQAFDDCCJ-WCYRKSIYSA-N 1 0 484.689 3.228 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H](C1CC1)[NH+](C)C ZINC001303910248 1068558041 /nfs/dbraw/zinc/55/80/41/1068558041.db2.gz FNKWBHOAAUCKEO-GQIGUUNPSA-N 1 0 461.010 3.079 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H](C)[NH+](C)C ZINC001303910717 1068558410 /nfs/dbraw/zinc/55/84/10/1068558410.db2.gz HJZNHDQKTDCWNW-BXWFABGCSA-N 1 0 470.039 3.035 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC(=O)N(C)C ZINC001303913797 1068563062 /nfs/dbraw/zinc/56/30/62/1068563062.db2.gz VGIJGRZNSFQLFO-MJGOQNOKSA-N 1 0 461.010 3.224 20 0 JGADRO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001303914490 1068565098 /nfs/dbraw/zinc/56/50/98/1068565098.db2.gz YSXNXJVFGHONPY-OALUTQOASA-N 1 0 498.031 3.379 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303915406 1068566544 /nfs/dbraw/zinc/56/65/44/1068566544.db2.gz PAXIOZPLOSTWDT-MPWIWIEXSA-N 1 0 466.051 3.468 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303915836 1068567065 /nfs/dbraw/zinc/56/70/65/1068567065.db2.gz XFOZZUBGMMNHOR-MFEFFIJZSA-N 1 0 464.010 3.142 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001305336903 1068568955 /nfs/dbraw/zinc/56/89/55/1068568955.db2.gz BZRLPMZGYMPUKU-UNVFRBQDSA-N 1 0 489.636 3.483 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001303917020 1068569319 /nfs/dbraw/zinc/56/93/19/1068569319.db2.gz OROJHDKEGLTLNZ-GOSISDBHSA-N 1 0 490.624 3.019 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001305337571 1068570357 /nfs/dbraw/zinc/57/03/57/1068570357.db2.gz WUTCYONCMMFKOG-BERHBOFZSA-N 1 0 482.673 3.298 20 0 JGADRO CC[C@@H](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCc2cccs2)CC1)OC ZINC001305340062 1068574636 /nfs/dbraw/zinc/57/46/36/1068574636.db2.gz JCTHIBYJDMTYBL-TZIWHRDSSA-N 1 0 474.675 3.001 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001305340416 1068575678 /nfs/dbraw/zinc/57/56/78/1068575678.db2.gz ZNNBDRMNISFIIW-XZDHIHRUSA-N 1 0 461.676 3.276 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001305341562 1068577530 /nfs/dbraw/zinc/57/75/30/1068577530.db2.gz PIGDHOLEJQXRNV-WZOHSFFVSA-N 1 0 457.619 3.337 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001303925207 1068580948 /nfs/dbraw/zinc/58/09/48/1068580948.db2.gz ZCEWZZCCRCBGQY-RBUKOAKNSA-N 1 0 472.609 3.489 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001303925206 1068581099 /nfs/dbraw/zinc/58/10/99/1068581099.db2.gz ZCEWZZCCRCBGQY-OALUTQOASA-N 1 0 472.609 3.489 20 0 JGADRO CC[C@H](C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)OC ZINC001305345676 1068584465 /nfs/dbraw/zinc/58/44/65/1068584465.db2.gz CUZSZCCCGJRINH-RCZSKKKRSA-N 1 0 475.659 3.084 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cnnn1C 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CC[C@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001305423798 1068658936 /nfs/dbraw/zinc/65/89/36/1068658936.db2.gz AWMPHNAURHRXEO-LEWJYISDSA-N 1 0 468.646 3.392 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001305426566 1068663540 /nfs/dbraw/zinc/66/35/40/1068663540.db2.gz PLGAUESPTNYNJX-FGZHOGPDSA-N 1 0 487.737 3.483 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001305426774 1068664188 /nfs/dbraw/zinc/66/41/88/1068664188.db2.gz QDDDKUXDBRMLLZ-NNWRFLSQSA-N 1 0 455.603 3.082 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305426916 1068664817 /nfs/dbraw/zinc/66/48/17/1068664817.db2.gz RMJICHVWRKPOBD-NHCUHLMSSA-N 1 0 474.694 3.113 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC(C(=O)NCCOC)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001305427441 1068666032 /nfs/dbraw/zinc/66/60/32/1068666032.db2.gz XCYFRJBJFKNFET-RNHFSVANSA-N 1 0 462.683 3.281 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001305430383 1068668597 /nfs/dbraw/zinc/66/85/97/1068668597.db2.gz BMYXYYVPYWZGRY-PMACEKPBSA-N 1 0 459.660 3.470 20 0 JGADRO CC[C@@H](C)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001305430386 1068668640 /nfs/dbraw/zinc/66/86/40/1068668640.db2.gz BMYXYYVPYWZGRY-WOJBJXKFSA-N 1 0 459.660 3.470 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001305431136 1068669112 /nfs/dbraw/zinc/66/91/12/1068669112.db2.gz MTEDPBLJGQGQJD-PGRDOPGGSA-N 1 0 474.616 3.349 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001305430831 1068669145 /nfs/dbraw/zinc/66/91/45/1068669145.db2.gz MTEDPBLJGQGQJD-AVRDEDQJSA-N 1 0 474.616 3.349 20 0 JGADRO CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N1CCC12CC[NH+](C)CC2 ZINC001305432351 1068669193 /nfs/dbraw/zinc/66/91/93/1068669193.db2.gz NBGHMRGJQSOPHC-SFHVURJKSA-N 1 0 451.409 3.114 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001305432739 1068669781 /nfs/dbraw/zinc/66/97/81/1068669781.db2.gz ZGYKFGHKPOPDHJ-RTBURBONSA-N 1 0 458.655 3.067 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001305432735 1068669886 /nfs/dbraw/zinc/66/98/86/1068669886.db2.gz ZGYKFGHKPOPDHJ-MOPGFXCFSA-N 1 0 458.655 3.067 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC(CC(=O)NC)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001305439975 1068675295 /nfs/dbraw/zinc/67/52/95/1068675295.db2.gz QEMQKWCHHQPDDF-IBGZPJMESA-N 1 0 453.635 3.456 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC(CC(N)=O)CC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305441049 1068675742 /nfs/dbraw/zinc/67/57/42/1068675742.db2.gz JCXJOZRZTBMIML-FQEVSTJZSA-N 1 0 460.667 3.166 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[C@@H](C[NH+](CC)CC)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001305441267 1068676439 /nfs/dbraw/zinc/67/64/39/1068676439.db2.gz FOWMDJLAUDIXCX-GOTSBHOMSA-N 1 0 481.689 3.309 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([S@](C)=O)CC1 ZINC001305443033 1068678292 /nfs/dbraw/zinc/67/82/92/1068678292.db2.gz HUELLFUOSYTCJV-BNAFRMMHSA-N 1 0 451.681 3.028 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001305451605 1068687714 /nfs/dbraw/zinc/68/77/14/1068687714.db2.gz YQQGTZHYWKPOKH-UGKGYDQZSA-N 1 0 476.691 3.169 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305454682 1068693256 /nfs/dbraw/zinc/69/32/56/1068693256.db2.gz JCVNDLWTPRKFHJ-PGRDOPGGSA-N 1 0 486.661 3.247 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001305454860 1068693318 /nfs/dbraw/zinc/69/33/18/1068693318.db2.gz AMSSLSYOGPOMMZ-JTJYXVOQSA-N 1 0 458.626 3.055 20 0 JGADRO CC[C@@H](C)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305457278 1068697944 /nfs/dbraw/zinc/69/79/44/1068697944.db2.gz GMEQNJZEHHDZSG-FQRUVTKNSA-N 1 0 472.653 3.302 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001305457695 1068699424 /nfs/dbraw/zinc/69/94/24/1068699424.db2.gz KZAUOYLQSUFDRV-XMSQKQJNSA-N 1 0 469.634 3.097 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001305457693 1068699448 /nfs/dbraw/zinc/69/94/48/1068699448.db2.gz KZAUOYLQSUFDRV-GCJKJVERSA-N 1 0 469.634 3.097 20 0 JGADRO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305457607 1068699466 /nfs/dbraw/zinc/69/94/66/1068699466.db2.gz JLWWTWRVTOFFDZ-PZJWPPBQSA-N 1 0 477.698 3.169 20 0 JGADRO CC[C@H](C)c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001305462618 1068705816 /nfs/dbraw/zinc/70/58/16/1068705816.db2.gz DTPVSLKCRCVFHC-NPPFBWRTSA-N 1 0 474.675 3.407 20 0 JGADRO CC[C@@H](C)c1nnc(N2CCC(Oc3ncccc3F)CC2)n1CCCC[NH+]1CCOCC1 ZINC001305462695 1068706093 /nfs/dbraw/zinc/70/60/93/1068706093.db2.gz GAHYTEKLGACILQ-LJQANCHMSA-N 1 0 460.598 3.486 20 0 JGADRO 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CC[C@@H](c1nnc(N2CCO[C@H](COC)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001305683544 1069043169 /nfs/dbraw/zinc/04/31/69/1069043169.db2.gz QAIHYXDGQBKQPD-OEMFJLHTSA-N 1 0 471.646 3.173 20 0 JGADRO CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)OC ZINC001305695283 1069067899 /nfs/dbraw/zinc/06/78/99/1069067899.db2.gz IJPQRERAHLEQSW-JOCHJYFZSA-N 1 0 495.734 3.478 20 0 JGADRO CCC(CC)[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)OC ZINC001305701842 1069083960 /nfs/dbraw/zinc/08/39/60/1069083960.db2.gz JNELEGILMQKQCT-VSKRKVRLSA-N 1 0 481.707 3.086 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@H](C)C1)[NH+](C)C ZINC001305702290 1069084016 /nfs/dbraw/zinc/08/40/16/1069084016.db2.gz AWCFMRNFCQCMIZ-GCJKJVERSA-N 1 0 477.675 3.330 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)OC)CC1)[NH+]1CCOCC1 ZINC001305702949 1069085431 /nfs/dbraw/zinc/08/54/31/1069085431.db2.gz DYHCHOHQOZPRAQ-DEOSSOPVSA-N 1 0 499.656 3.480 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(=O)NC)C1)[NH+](C)C ZINC001305703771 1069087934 /nfs/dbraw/zinc/08/79/34/1069087934.db2.gz AJFWXSNBDWISHK-QPPBQGQZSA-N 1 0 492.672 3.460 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001305704042 1069088826 /nfs/dbraw/zinc/08/88/26/1069088826.db2.gz JUTGAUGMHRYXND-JOCHJYFZSA-N 1 0 490.096 3.175 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1)[NH+](C)C ZINC001305703883 1069088852 /nfs/dbraw/zinc/08/88/52/1069088852.db2.gz CGUOGAMQGCZRQX-WOJBJXKFSA-N 1 0 489.690 3.223 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2)[NH+](C)C ZINC001305703949 1069088855 /nfs/dbraw/zinc/08/88/55/1069088855.db2.gz CYDUGYLMCCGIJB-AABGKKOBSA-N 1 0 458.655 3.272 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccccn2)CC1)[NH+](C)C ZINC001305704334 1069090614 /nfs/dbraw/zinc/09/06/14/1069090614.db2.gz DWIUHZFLEYPEAQ-OAQYLSRUSA-N 1 0 491.644 3.013 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCOCC1 ZINC001305704608 1069091538 /nfs/dbraw/zinc/09/15/38/1069091538.db2.gz FZERCSPWSCSXDS-GMAHTHKFSA-N 1 0 458.651 3.426 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)[NH+](C)C ZINC001305704860 1069092273 /nfs/dbraw/zinc/09/22/73/1069092273.db2.gz NNCYVMDSRDFBID-NRFANRHFSA-N 1 0 494.644 3.033 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@]2(CCOC2)C1)[NH+](C)C ZINC001305705972 1069094858 /nfs/dbraw/zinc/09/48/58/1069094858.db2.gz SBMHFECBYRNIDR-SIKLNZKXSA-N 1 0 495.466 3.398 20 0 JGADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+]1CCOCC1 ZINC001305706480 1069095153 /nfs/dbraw/zinc/09/51/53/1069095153.db2.gz VCQLTNBPEHLABB-RXVVDRJESA-N 1 0 461.680 3.063 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(OC)C1)[NH+](C)C ZINC001305706881 1069096817 /nfs/dbraw/zinc/09/68/17/1069096817.db2.gz CWAMCEDGXQTGIK-DHLKQENFSA-N 1 0 481.649 3.293 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001305707158 1069097888 /nfs/dbraw/zinc/09/78/88/1069097888.db2.gz QLJFGJRHUBXDBX-WOJBJXKFSA-N 1 0 466.671 3.498 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305707166 1069097920 /nfs/dbraw/zinc/09/79/20/1069097920.db2.gz QCWDBPXQHLTUBR-ICSRJNTNSA-N 1 0 450.653 3.043 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)[NH+](C)C ZINC001305707277 1069097990 /nfs/dbraw/zinc/09/79/90/1069097990.db2.gz DLPXPBSCAQEWLF-TYCQWZJGSA-N 1 0 496.027 3.464 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001305707773 1069098526 /nfs/dbraw/zinc/09/85/26/1069098526.db2.gz GEAKQDSJTIRIQD-OFVILXPXSA-N 1 0 489.686 3.335 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001305707741 1069098934 /nfs/dbraw/zinc/09/89/34/1069098934.db2.gz SXHNTMSJMWVPKD-YADARESESA-N 1 0 450.672 3.424 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)[NH+](C)C ZINC001305707796 1069099512 /nfs/dbraw/zinc/09/95/12/1069099512.db2.gz GVRPRWGFCVNSHS-GBESFXJTSA-N 1 0 451.015 3.210 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1)[NH+](C)C ZINC001305708074 1069099899 /nfs/dbraw/zinc/09/98/99/1069099899.db2.gz UUWANLRHJJWEML-JOCHJYFZSA-N 1 0 483.661 3.215 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1)[NH+](C)C ZINC001305708329 1069100016 /nfs/dbraw/zinc/10/00/16/1069100016.db2.gz VYAGSWGRPSNXCU-OAQYLSRUSA-N 1 0 493.660 3.061 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1)[NH+](C)C ZINC001305708160 1069100057 /nfs/dbraw/zinc/10/00/57/1069100057.db2.gz TVYINVJPNHLUNQ-JOCHJYFZSA-N 1 0 468.650 3.091 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001305708498 1069100458 /nfs/dbraw/zinc/10/04/58/1069100458.db2.gz WEHPOKCEBZIIKQ-AJDBGRLRSA-N 1 0 456.635 3.479 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001305708438 1069100504 /nfs/dbraw/zinc/10/05/04/1069100504.db2.gz VTLYWVAQWULDFR-QHCPKHFHSA-N 1 0 496.635 3.147 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001305708499 1069100527 /nfs/dbraw/zinc/10/05/27/1069100527.db2.gz WEHPOKCEBZIIKQ-CFGBTRHTSA-N 1 0 456.635 3.479 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001305708609 1069101178 /nfs/dbraw/zinc/10/11/78/1069101178.db2.gz WOFIWVPMMHEVBS-KNQAVFIVSA-N 1 0 456.635 3.481 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCN(C(C)=O)CC1)[NH+](C)C ZINC001305709139 1069103228 /nfs/dbraw/zinc/10/32/28/1069103228.db2.gz ACUXAQGISZIPNX-QFIPXVFZSA-N 1 0 494.644 3.019 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC(C)CC1)[NH+]1CCOCC1 ZINC001305709290 1069103314 /nfs/dbraw/zinc/10/33/14/1069103314.db2.gz CARJARDVQHGEAV-WTXPMHKTSA-N 1 0 460.667 3.381 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305709317 1069103976 /nfs/dbraw/zinc/10/39/76/1069103976.db2.gz OPQWKFNERUNWQA-GMAHTHKFSA-N 1 0 485.629 3.090 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC)(CC)C1)[NH+]1CCOCC1 ZINC001305709361 1069104198 /nfs/dbraw/zinc/10/41/98/1069104198.db2.gz CORYSZJOLFAJPD-NHCUHLMSSA-N 1 0 460.667 3.383 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305709597 1069104750 /nfs/dbraw/zinc/10/47/50/1069104750.db2.gz ADXYQNYGBFIPSO-XMMPIXPASA-N 1 0 481.689 3.469 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305709595 1069104817 /nfs/dbraw/zinc/10/48/17/1069104817.db2.gz ADXYQNYGBFIPSO-DEOSSOPVSA-N 1 0 481.689 3.469 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001305709769 1069105505 /nfs/dbraw/zinc/10/55/05/1069105505.db2.gz ROLDMGZBKFFKIT-XXBNENTESA-N 1 0 487.645 3.324 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccs1)[NH+]1CCOCC1 ZINC001305709864 1069106099 /nfs/dbraw/zinc/10/60/99/1069106099.db2.gz GYRIFEXIAJJIKQ-VQTJNVASSA-N 1 0 460.648 3.064 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)COC)CC1)[NH+](C)C ZINC001305709884 1069106136 /nfs/dbraw/zinc/10/61/36/1069106136.db2.gz RRVSJTLZXORPRD-OAQYLSRUSA-N 1 0 477.053 3.260 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305709962 1069106647 /nfs/dbraw/zinc/10/66/47/1069106647.db2.gz CJLVNTFOKBYJFP-DEOSSOPVSA-N 1 0 481.689 3.469 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC(C)(OC)C1)[NH+]1CCOCC1 ZINC001305710423 1069107780 /nfs/dbraw/zinc/10/77/80/1069107780.db2.gz GNEMZGLCZRKVCN-QFIPXVFZSA-N 1 0 459.610 3.370 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)[NH+](C)C ZINC001305710396 1069107869 /nfs/dbraw/zinc/10/78/69/1069107869.db2.gz GEVAXZHDDHZZBV-JOCHJYFZSA-N 1 0 454.667 3.330 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305710932 1069108345 /nfs/dbraw/zinc/10/83/45/1069108345.db2.gz JHQMSWHMKFETJT-CHZKFRDHSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001305710905 1069108891 /nfs/dbraw/zinc/10/88/91/1069108891.db2.gz XROKSRFXKHWJMC-LADGPHEKSA-N 1 0 498.672 3.196 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001305710904 1069108922 /nfs/dbraw/zinc/10/89/22/1069108922.db2.gz XROKSRFXKHWJMC-ISKFKSNPSA-N 1 0 498.672 3.196 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1)[NH+](C)C ZINC001305711166 1069109460 /nfs/dbraw/zinc/10/94/60/1069109460.db2.gz AXDXOPRHYHWUIF-MOPGFXCFSA-N 1 0 465.689 3.171 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001305711332 1069110112 /nfs/dbraw/zinc/11/01/12/1069110112.db2.gz LASKYZYMVWSQND-HSZRJFAPSA-N 1 0 467.662 3.079 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001305711472 1069110573 /nfs/dbraw/zinc/11/05/73/1069110573.db2.gz BWSGCNPODCNVLD-DHIUTWEWSA-N 1 0 483.661 3.244 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1)[NH+](C)C ZINC001305711700 1069111111 /nfs/dbraw/zinc/11/11/11/1069111111.db2.gz NTXUVFQQDLSRHV-JOCHJYFZSA-N 1 0 458.626 3.433 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OC)C1)[NH+]1CCOCC1 ZINC001305711685 1069111130 /nfs/dbraw/zinc/11/11/30/1069111130.db2.gz NNFQCFBUKMFPDO-XZOQPEGZSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001305712032 1069111670 /nfs/dbraw/zinc/11/16/70/1069111670.db2.gz PAWWWYHKIIHJGT-RJGXRXQPSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCOCC1 ZINC001305712104 1069112282 /nfs/dbraw/zinc/11/22/82/1069112282.db2.gz PNQNLFBLNBOOFW-NFBKMPQASA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C2CCOCC2)C1)[NH+](C)C ZINC001305712268 1069112421 /nfs/dbraw/zinc/11/24/21/1069112421.db2.gz BDERBACJOMOKDJ-VXKWHMMOSA-N 1 0 460.667 3.020 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001305712727 1069113022 /nfs/dbraw/zinc/11/30/22/1069113022.db2.gz VMEOKNRWLGTWNA-GHTZIAJQSA-N 1 0 483.690 3.441 20 0 JGADRO CCC(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001305713302 1069114611 /nfs/dbraw/zinc/11/46/11/1069114611.db2.gz FZWVSVMSKQXEIO-BWKNWUBXSA-N 1 0 472.609 3.079 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001305713342 1069115327 /nfs/dbraw/zinc/11/53/27/1069115327.db2.gz URALTUJWHPTAAI-YTFSRNRJSA-N 1 0 456.635 3.015 20 0 JGADRO CCC(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001305713314 1069115381 /nfs/dbraw/zinc/11/53/81/1069115381.db2.gz GKYQPPGYPOKGAT-BVYCBKJFSA-N 1 0 488.608 3.297 20 0 JGADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001305713332 1069115385 /nfs/dbraw/zinc/11/53/85/1069115385.db2.gz GRYPYJUCTDMNSU-UPVQGACJSA-N 1 0 470.662 3.053 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305713353 1069115398 /nfs/dbraw/zinc/11/53/98/1069115398.db2.gz UUHYRKIVYZVSDF-YADHBBJMSA-N 1 0 479.666 3.388 20 0 JGADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001305713331 1069115424 /nfs/dbraw/zinc/11/54/24/1069115424.db2.gz GRYPYJUCTDMNSU-LADGPHEKSA-N 1 0 470.662 3.053 20 0 JGADRO CCC(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001305713316 1069115437 /nfs/dbraw/zinc/11/54/37/1069115437.db2.gz GKYQPPGYPOKGAT-COPCDDAFSA-N 1 0 488.608 3.297 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@H](C)C1)[NH+](C)C ZINC001305713570 1069116012 /nfs/dbraw/zinc/11/60/12/1069116012.db2.gz YMWKVBZYRLANIK-QMMLZNLJSA-N 1 0 454.619 3.383 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+](C)C ZINC001305714291 1069117740 /nfs/dbraw/zinc/11/77/40/1069117740.db2.gz KRKNRDKCDNWDTI-FGZHOGPDSA-N 1 0 462.683 3.232 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305714822 1069118421 /nfs/dbraw/zinc/11/84/21/1069118421.db2.gz ZCDXIJHYECOAJV-CHZKFRDHSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCCCCC1)[NH+]1CCOCC1 ZINC001305714668 1069118499 /nfs/dbraw/zinc/11/84/99/1069118499.db2.gz KHZQHFHMKSYPCT-QFIPXVFZSA-N 1 0 460.667 3.308 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCOCC1 ZINC001305714692 1069118529 /nfs/dbraw/zinc/11/85/29/1069118529.db2.gz YPUUDEMNMHISEG-HSZRJFAPSA-N 1 0 474.694 3.110 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001305714953 1069118811 /nfs/dbraw/zinc/11/88/11/1069118811.db2.gz ZUTGXWOAVWRUON-QHCPKHFHSA-N 1 0 467.662 3.079 20 0 JGADRO CCC(CC)c1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[N@H+](CC)[C@H](C)C2)on1 ZINC001305715305 1069120331 /nfs/dbraw/zinc/12/03/31/1069120331.db2.gz KBUQVZIVEZSQEP-QGZVFWFLSA-N 1 0 466.590 3.396 20 0 JGADRO CCC(CC)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)[NH+](C)C ZINC001305716630 1069122963 /nfs/dbraw/zinc/12/29/63/1069122963.db2.gz QZXJFCWQGVNUKS-CJFMBICVSA-N 1 0 488.608 3.394 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(CC)C1)[NH+]1CCOCC1 ZINC001305716881 1069123687 /nfs/dbraw/zinc/12/36/87/1069123687.db2.gz RFTNHGXVLXWAEL-ZEQKJWHPSA-N 1 0 487.693 3.282 20 0 JGADRO CCC(CC)[C@@H](Cn1c(N2CCc3oncc3C2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001305716990 1069124377 /nfs/dbraw/zinc/12/43/77/1069124377.db2.gz SHLISBXYPCALSD-HYBUGGRVSA-N 1 0 460.623 3.236 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001305717269 1069124747 /nfs/dbraw/zinc/12/47/47/1069124747.db2.gz SVIQOGIHNFCNNS-XZOQPEGZSA-N 1 0 474.694 3.410 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001305724098 1069138133 /nfs/dbraw/zinc/13/81/33/1069138133.db2.gz HXAHNIQQEHWENH-HNNXBMFYSA-N 1 0 496.582 3.070 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001305724725 1069139820 /nfs/dbraw/zinc/13/98/20/1069139820.db2.gz KWAQGLRKWPWNFK-INIZCTEOSA-N 1 0 486.646 3.028 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305725116 1069140554 /nfs/dbraw/zinc/14/05/54/1069140554.db2.gz GOEDTPNIYLHTDA-UHFFFAOYSA-N 1 0 470.662 3.377 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)n1C[C@@H](C)[NH+](C)C ZINC001305736052 1069157809 /nfs/dbraw/zinc/15/78/09/1069157809.db2.gz MQIDUZZBWTVJHA-FRBSRZPYSA-N 1 0 460.667 3.321 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737257 1069160295 /nfs/dbraw/zinc/16/02/95/1069160295.db2.gz GZWKUEAXVYDYPM-RBUKOAKNSA-N 1 0 467.662 3.438 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCOc1ccc(F)c(F)c1 ZINC001305738425 1069163713 /nfs/dbraw/zinc/16/37/13/1069163713.db2.gz FHADDOCLLBIZKJ-WMZOPIPTSA-N 1 0 476.572 3.227 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305738315 1069163731 /nfs/dbraw/zinc/16/37/31/1069163731.db2.gz CMDIILFYGMZAEL-LEWJYISDSA-N 1 0 460.667 3.202 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1Cc1ccc(N(CC)CC)nc1 ZINC001305739154 1069166330 /nfs/dbraw/zinc/16/63/30/1069166330.db2.gz JPONSEIYMNNFSD-DENIHFKCSA-N 1 0 482.677 3.159 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001305739660 1069168254 /nfs/dbraw/zinc/16/82/54/1069168254.db2.gz GBLVKNDXQJXJER-RBUKOAKNSA-N 1 0 462.664 3.422 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305740289 1069170574 /nfs/dbraw/zinc/17/05/74/1069170574.db2.gz HVPMBMIZFZWDMY-SXYMUXSESA-N 1 0 474.694 3.304 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCC1CC[NH+](CC)CC1 ZINC001305741167 1069172897 /nfs/dbraw/zinc/17/28/97/1069172897.db2.gz LAKQFRJBSFMFGZ-JOCHJYFZSA-N 1 0 474.694 3.450 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305741527 1069174250 /nfs/dbraw/zinc/17/42/50/1069174250.db2.gz JTRPQNLRIVTACC-FVJLSDCUSA-N 1 0 460.598 3.252 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305742484 1069176657 /nfs/dbraw/zinc/17/66/57/1069176657.db2.gz PQWDQIUWINAADV-OAQYLSRUSA-N 1 0 473.710 3.382 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305743608 1069180677 /nfs/dbraw/zinc/18/06/77/1069180677.db2.gz NIBKNUQOOSGIPM-GHTZIAJQSA-N 1 0 460.667 3.322 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001305745567 1069186861 /nfs/dbraw/zinc/18/68/61/1069186861.db2.gz SYHRWHIDCHSCMB-KRWDZBQOSA-N 1 0 487.615 3.001 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001305746213 1069188570 /nfs/dbraw/zinc/18/85/70/1069188570.db2.gz YHBYMPWHOXPWSO-HSZRJFAPSA-N 1 0 496.656 3.423 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001305747495 1069191601 /nfs/dbraw/zinc/19/16/01/1069191601.db2.gz HYYNQPPIDSKFIL-DWLFOUALSA-N 1 0 472.634 3.488 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305750804 1069196832 /nfs/dbraw/zinc/19/68/32/1069196832.db2.gz MZRJHJYXBXOQOS-UHFFFAOYSA-N 1 0 484.693 3.436 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001305750995 1069197384 /nfs/dbraw/zinc/19/73/84/1069197384.db2.gz IXYWACXLERYVEQ-UHFFFAOYSA-N 1 0 489.690 3.148 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001305754899 1069205545 /nfs/dbraw/zinc/20/55/45/1069205545.db2.gz HIGIFYUCNGOOEO-SIBVEZHUSA-N 1 0 489.709 3.154 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001305754897 1069205639 /nfs/dbraw/zinc/20/56/39/1069205639.db2.gz HIGIFYUCNGOOEO-BCHFMIIMSA-N 1 0 489.709 3.154 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3ccnn3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305755649 1069207989 /nfs/dbraw/zinc/20/79/89/1069207989.db2.gz OEDNDZLYPGAJJZ-FQEVSTJZSA-N 1 0 499.708 3.215 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001305758473 1069217527 /nfs/dbraw/zinc/21/75/27/1069217527.db2.gz FYYIWJQNZRBRHH-IBGZPJMESA-N 1 0 498.672 3.303 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305759470 1069221613 /nfs/dbraw/zinc/22/16/13/1069221613.db2.gz RVYZZLXBZIFMEK-UHFFFAOYSA-N 1 0 492.709 3.216 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CC(C)(C)C[NH+](C)C ZINC001305760602 1069225703 /nfs/dbraw/zinc/22/57/03/1069225703.db2.gz ZWLFYHWMESGXNQ-VWLOTQADSA-N 1 0 474.625 3.021 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(F)c3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001305762496 1069230929 /nfs/dbraw/zinc/23/09/29/1069230929.db2.gz RXTKXYWBFHMBOR-UHFFFAOYSA-N 1 0 490.599 3.148 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCN(Cc4ccccc4)[C@H]32)n1C[C@H](C)[NH+](C)C ZINC001305765079 1069235112 /nfs/dbraw/zinc/23/51/12/1069235112.db2.gz SBPVXGNVHDMKKX-OWHZGTRUSA-N 1 0 467.662 3.205 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCN(Cc4ccccc4)[C@@H]32)n1C[C@H](C)[NH+](C)C ZINC001305765083 1069235308 /nfs/dbraw/zinc/23/53/08/1069235308.db2.gz SBPVXGNVHDMKKX-QYXIYQDXSA-N 1 0 467.662 3.205 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001305765576 1069236160 /nfs/dbraw/zinc/23/61/60/1069236160.db2.gz WFEAVPJEQLSRTD-VWPQPMDRSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305765660 1069236301 /nfs/dbraw/zinc/23/63/01/1069236301.db2.gz WHPHDZBNVNSDAN-HXUWFJFHSA-N 1 0 462.683 3.304 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001305769425 1069244732 /nfs/dbraw/zinc/24/47/32/1069244732.db2.gz CJBXKUIRRHOEDC-RXVVDRJESA-N 1 0 460.667 3.465 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305770195 1069246027 /nfs/dbraw/zinc/24/60/27/1069246027.db2.gz URYXZMFGHVCMJD-TZIWHRDSSA-N 1 0 470.666 3.188 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1Cc1ccn(C)n1 ZINC001305770670 1069247085 /nfs/dbraw/zinc/24/70/85/1069247085.db2.gz WAQZMSDWWRNYCC-FQEVSTJZSA-N 1 0 470.666 3.071 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001305771540 1069248492 /nfs/dbraw/zinc/24/84/92/1069248492.db2.gz QKHMLZFKRPGRHL-FCHUYYIVSA-N 1 0 470.666 3.192 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccc(O)cc1 ZINC001305775923 1069258670 /nfs/dbraw/zinc/25/86/70/1069258670.db2.gz GQDHRUSMCHDWLH-UHFFFAOYSA-N 1 0 454.619 3.405 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305776309 1069259957 /nfs/dbraw/zinc/25/99/57/1069259957.db2.gz SVDAEOMZGRPHOX-WIYYLYMNSA-N 1 0 456.639 3.003 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305776480 1069260215 /nfs/dbraw/zinc/26/02/15/1069260215.db2.gz ULTFBVPFZVAXMK-NNMXDRDESA-N 1 0 470.666 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCn1cnc2ccccc21 ZINC001305777271 1069262690 /nfs/dbraw/zinc/26/26/90/1069262690.db2.gz XXDZJWQPAWDROT-UHFFFAOYSA-N 1 0 466.634 3.167 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001305777773 1069263761 /nfs/dbraw/zinc/26/37/61/1069263761.db2.gz QZIUFMJZVYNOFV-HXUWFJFHSA-N 1 0 468.646 3.456 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001305779227 1069268109 /nfs/dbraw/zinc/26/81/09/1069268109.db2.gz LJTMGTZUBAOQIG-QZTJIDSGSA-N 1 0 487.615 3.001 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305779935 1069269469 /nfs/dbraw/zinc/26/94/69/1069269469.db2.gz IUBLITIYRDOKDN-PMACEKPBSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cccc(Cn2cccn2)c1 ZINC001305780079 1069270008 /nfs/dbraw/zinc/27/00/08/1069270008.db2.gz RAGADVWHFGHJLC-UHFFFAOYSA-N 1 0 492.672 3.410 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001305783337 1069277359 /nfs/dbraw/zinc/27/73/59/1069277359.db2.gz VEMNLNSMQKNBSY-KRWDZBQOSA-N 1 0 489.615 3.284 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001305783947 1069278771 /nfs/dbraw/zinc/27/87/71/1069278771.db2.gz OWUPPFSHJXGLHG-FQEVSTJZSA-N 1 0 485.652 3.394 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1sc(C)nc1C ZINC001305785374 1069285017 /nfs/dbraw/zinc/28/50/17/1069285017.db2.gz KDSICBWCPDZGKB-UHFFFAOYSA-N 1 0 459.664 3.383 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001305785367 1069285756 /nfs/dbraw/zinc/28/57/56/1069285756.db2.gz FDTKKXJWMPDSBZ-ZWKOTPCHSA-N 1 0 460.598 3.334 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001305785795 1069287742 /nfs/dbraw/zinc/28/77/42/1069287742.db2.gz LPLLDZMPULZNQO-SBUREZEXSA-N 1 0 496.578 3.177 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCc1ccccc1F ZINC001305785910 1069288515 /nfs/dbraw/zinc/28/85/15/1069288515.db2.gz OLOXNXBOVLNFMV-IBGZPJMESA-N 1 0 486.636 3.268 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[C@H]1C[C@H](F)C1 ZINC001305786133 1069288900 /nfs/dbraw/zinc/28/89/00/1069288900.db2.gz QRWUQJDFFVISJX-FHWLQOOXSA-N 1 0 464.630 3.024 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305787451 1069293465 /nfs/dbraw/zinc/29/34/65/1069293465.db2.gz ACHBVZDEWJJIKI-SFHVURJKSA-N 1 0 479.551 3.333 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1C[C@H]1CCC2(CCCCC2)O1 ZINC001305788599 1069297592 /nfs/dbraw/zinc/29/75/92/1069297592.db2.gz YGRVCZGPVXLQNV-RBBKRZOGSA-N 1 0 490.693 3.235 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001305791231 1069304055 /nfs/dbraw/zinc/30/40/55/1069304055.db2.gz ZXXLCJSQLOETBT-RXVVDRJESA-N 1 0 472.609 3.478 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305792175 1069305738 /nfs/dbraw/zinc/30/57/38/1069305738.db2.gz RUVPWLSVFNSWCP-FQRUVTKNSA-N 1 0 468.646 3.290 20 0 JGADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164390049 718823505 /nfs/dbraw/zinc/82/35/05/718823505.db2.gz LHIRYFVJMBFGJL-JKSUJKDBSA-N 1 0 473.307 3.252 20 0 JGADRO OC[C@]12C[NH2+]C[C@H]1CN(c1nc(CN3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164402606 718853773 /nfs/dbraw/zinc/85/37/73/718853773.db2.gz GNWAXBZLHGMTKY-QMHKHESXSA-N 1 0 455.653 3.424 20 0 JGADRO c1sc2nc(CN3CCOCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c2c1-c1ccccc1 ZINC001164410110 718863949 /nfs/dbraw/zinc/86/39/49/718863949.db2.gz WYADUYNYIKIYNY-PZJWPPBQSA-N 1 0 465.623 3.005 20 0 JGADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4Cc5ncnn5C5(CC[NH2+]CC5)C4)c23)C1 ZINC001164416129 718885528 /nfs/dbraw/zinc/88/55/28/718885528.db2.gz SFKBHIDISHWMBN-KRWDZBQOSA-N 1 0 478.670 3.102 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164616110 719008050 /nfs/dbraw/zinc/00/80/50/719008050.db2.gz KLEHCVPCXXUMSV-IIBYNOLFSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001164616530 719009356 /nfs/dbraw/zinc/00/93/56/719009356.db2.gz KYKNKMSVUBIWOX-BTYIYWSLSA-N 1 0 465.932 3.372 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001164619634 719009931 /nfs/dbraw/zinc/00/99/31/719009931.db2.gz WKSYTKFICFAFBH-IIBYNOLFSA-N 1 0 465.932 3.372 20 0 JGADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccc(OC)cc2)nnc1Cl ZINC001164617475 719019654 /nfs/dbraw/zinc/01/96/54/719019654.db2.gz OIVRHWOVDMLPOZ-DOPJRALCSA-N 1 0 452.889 3.080 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4c(n3)N(C3CCCC3)[C@@H](CC)C(=O)N4C)CC2)CC1 ZINC001164616400 719026318 /nfs/dbraw/zinc/02/63/18/719026318.db2.gz CYYASJKSYJDGBD-QFIPXVFZSA-N 1 0 498.672 3.225 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3ncn4Cc3ccccc3F)CC2)CC1 ZINC001164616373 719028443 /nfs/dbraw/zinc/02/84/43/719028443.db2.gz CGHJBNMEZVQCOF-UHFFFAOYSA-N 1 0 466.561 3.258 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(C(=O)OC)cnc3Cl)CC2)CC1 ZINC001164617424 719030595 /nfs/dbraw/zinc/03/05/95/719030595.db2.gz LUIYDMJLRVELEJ-UHFFFAOYSA-N 1 0 459.921 3.310 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(OC)cc4OC)nn3)CC2)CC1 ZINC001164616483 719033275 /nfs/dbraw/zinc/03/32/75/719033275.db2.gz DINVFEGNHWKBBS-UHFFFAOYSA-N 1 0 454.571 3.405 20 0 JGADRO CN(C)C(=O)CN1CC[C@@]2(C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]2c2ccccc2)C1=O ZINC001164633729 719145548 /nfs/dbraw/zinc/14/55/48/719145548.db2.gz SMHDYTVNVARCGI-NLFFAJNJSA-N 1 0 455.002 3.376 20 0 JGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)nc1 ZINC001164635108 719259445 /nfs/dbraw/zinc/25/94/45/719259445.db2.gz HSDOQYMGRSOGQA-QHCPKHFHSA-N 1 0 481.645 3.159 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)nc1 ZINC001164635766 719266403 /nfs/dbraw/zinc/26/64/03/719266403.db2.gz IFJQRTXESURZRB-POGFHVCPSA-N 1 0 466.630 3.451 20 0 JGADRO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21 ZINC001164654123 719319031 /nfs/dbraw/zinc/31/90/31/719319031.db2.gz OXGPPFWWSUNZTE-JBBQQGGESA-N 1 0 487.604 3.350 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnoc3C)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164649298 719320744 /nfs/dbraw/zinc/32/07/44/719320744.db2.gz BZLCGWLRYZNSQO-IEEQIXEPSA-N 1 0 453.587 3.339 20 0 JGADRO CC(C)N(c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)c1ncnc2c1CC[NH2+]CC2 ZINC001164659999 719344766 /nfs/dbraw/zinc/34/47/66/719344766.db2.gz HFLBGUMZMLCMNA-UHFFFAOYSA-N 1 0 493.681 3.427 20 0 JGADRO CCOC(=O)c1sc2nc(Cc3ccccc3OC)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C ZINC001164670357 719442554 /nfs/dbraw/zinc/44/25/54/719442554.db2.gz NWSJXBCGZUJLCZ-MJGOQNOKSA-N 1 0 482.606 3.295 20 0 JGADRO CN(C)c1nc(Cl)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680640 719656031 /nfs/dbraw/zinc/65/60/31/719656031.db2.gz GPYHZKRWMCRLJQ-SFHVURJKSA-N 1 0 471.049 3.289 20 0 JGADRO COC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681059 719657609 /nfs/dbraw/zinc/65/76/09/719657609.db2.gz MBKFCPCWRSMINA-QGZVFWFLSA-N 1 0 486.016 3.010 20 0 JGADRO Cc1nc2nc(Cl)nc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2[nH]1 ZINC001164681694 719664087 /nfs/dbraw/zinc/66/40/87/719664087.db2.gz PYPNVSIHVGRSDL-QGZVFWFLSA-N 1 0 482.032 3.408 20 0 JGADRO COC(=O)c1nc(Cl)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164685565 719670177 /nfs/dbraw/zinc/67/01/77/719670177.db2.gz VKHNWXGOBBHCPN-KRWDZBQOSA-N 1 0 486.016 3.010 20 0 JGADRO CCOC(=O)c1ncnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C ZINC001164680750 719671307 /nfs/dbraw/zinc/67/13/07/719671307.db2.gz HHQBVGMLMQCUNT-HXUWFJFHSA-N 1 0 479.625 3.055 20 0 JGADRO CON(C)C(=O)c1cc(C)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164686172 719675496 /nfs/dbraw/zinc/67/54/96/719675496.db2.gz WRWZWIARDPMQEQ-OAQYLSRUSA-N 1 0 493.652 3.117 20 0 JGADRO CN1CCOc2c(Cl)nnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c21 ZINC001164681184 719676655 /nfs/dbraw/zinc/67/66/55/719676655.db2.gz KLOZZTAGWKTRML-SFHVURJKSA-N 1 0 499.059 3.052 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4c3ncn4C3CC3)CC2)c2ccccc21 ZINC001164682097 719678283 /nfs/dbraw/zinc/67/82/83/719678283.db2.gz PANFBLVMKNOZGX-LJQANCHMSA-N 1 0 473.625 3.255 20 0 JGADRO CCOC(=O)c1cnc(CC)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164687874 719680271 /nfs/dbraw/zinc/68/02/71/719680271.db2.gz WNFSDQDTFIBXRT-FQEVSTJZSA-N 1 0 493.652 3.309 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN([C@@H](F)Oc3ccc(Cl)nn3)CC2)c2ccccc21 ZINC001164686467 719683433 /nfs/dbraw/zinc/68/34/33/719683433.db2.gz NBVFPQSVNYFIPE-GAJHUEQPSA-N 1 0 475.996 3.351 20 0 JGADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)CC2 ZINC001164689385 719748183 /nfs/dbraw/zinc/74/81/83/719748183.db2.gz DNXJJKOLILWYOB-UHFFFAOYSA-N 1 0 477.638 3.208 20 0 JGADRO Fc1cccnc1N(c1ncnc2c1CCN(Cc1ccccc1)C2)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690379 719760424 /nfs/dbraw/zinc/76/04/24/719760424.db2.gz BBKPKBBFRVTXNI-RXFWQSSRSA-N 1 0 460.557 3.228 20 0 JGADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694368 719810568 /nfs/dbraw/zinc/81/05/68/719810568.db2.gz WHJQVGHFICKCII-UHFFFAOYSA-N 1 0 490.033 3.443 20 0 JGADRO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164695756 719834908 /nfs/dbraw/zinc/83/49/08/719834908.db2.gz OGARYYZUYZICPP-XMMPIXPASA-N 1 0 481.604 3.484 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1 ZINC001164700898 719885126 /nfs/dbraw/zinc/88/51/26/719885126.db2.gz MUEAQKBXDYYMNI-CIAFKFPVSA-N 1 0 450.587 3.146 20 0 JGADRO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc-2n1 ZINC001164696046 719891892 /nfs/dbraw/zinc/89/18/92/719891892.db2.gz VNZUMKOCKDSJJZ-UHFFFAOYSA-N 1 0 456.568 3.291 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)C2 ZINC001164807359 720079120 /nfs/dbraw/zinc/07/91/20/720079120.db2.gz FCQSXKXLCZRSPJ-HFZDXXHNSA-N 1 0 495.649 3.161 20 0 JGADRO COCc1nn([C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)c2c1C[NH2+]C2 ZINC001164709292 720079247 /nfs/dbraw/zinc/07/92/47/720079247.db2.gz DBLCKFXPAXZECB-NRFANRHFSA-N 1 0 463.344 3.416 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164806811 720084853 /nfs/dbraw/zinc/08/48/53/720084853.db2.gz DHBZJQZOVCOHLQ-UTKZUKDTSA-N 1 0 455.981 3.460 20 0 JGADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001164709575 720091800 /nfs/dbraw/zinc/09/18/00/720091800.db2.gz AZPXGDUAWFYBNG-UHFFFAOYSA-N 1 0 459.932 3.161 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(cccc3C(=O)OC)n1)CC2 ZINC001164719039 720109273 /nfs/dbraw/zinc/10/92/73/720109273.db2.gz UXUKSJGHIJHSOJ-FQEVSTJZSA-N 1 0 461.566 3.319 20 0 JGADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164719649 720113667 /nfs/dbraw/zinc/11/36/67/720113667.db2.gz ZSODPQKPKBPDHW-IBGZPJMESA-N 1 0 474.005 3.138 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)C2 ZINC001164813760 720113820 /nfs/dbraw/zinc/11/38/20/720113820.db2.gz QKKQBWHIRJVJCJ-BSRJHKFKSA-N 1 0 461.010 3.364 20 0 JGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)nc2N1C1CCCC1 ZINC001164815921 720115247 /nfs/dbraw/zinc/11/52/47/720115247.db2.gz XLUSKBQDMNHWOL-AJFLCOCNSA-N 1 0 482.673 3.165 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(N3CCCCCC3)n1)CC2 ZINC001164710870 720141158 /nfs/dbraw/zinc/14/11/58/720141158.db2.gz FGRAOMCBNFPCAT-JOCHJYFZSA-N 1 0 481.645 3.163 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164714152 720142900 /nfs/dbraw/zinc/14/29/00/720142900.db2.gz WKZDLCRUIAYQRT-MRXNPFEDSA-N 1 0 477.947 3.405 20 0 JGADRO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)cc2C1 ZINC001164715121 720158034 /nfs/dbraw/zinc/15/80/34/720158034.db2.gz STIFOAVDGUQDAA-OFNKIYASSA-N 1 0 479.625 3.047 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(=O)n(Cc4ccc(OC)cc4)cc-3[nH]1)C2 ZINC001164817894 720158742 /nfs/dbraw/zinc/15/87/42/720158742.db2.gz QRARKMFCQGGJGA-DFHRPNOPSA-N 1 0 476.621 3.431 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc(Cl)nc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164713426 720167857 /nfs/dbraw/zinc/16/78/57/720167857.db2.gz KFFRNYISIAYXSN-HNNXBMFYSA-N 1 0 461.344 3.278 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712952 720169002 /nfs/dbraw/zinc/16/90/02/720169002.db2.gz IRFHKBDSFPIIQP-SFHVURJKSA-N 1 0 477.947 3.173 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712422 720172456 /nfs/dbraw/zinc/17/24/56/720172456.db2.gz GNHCEGLWEFTVOR-IBGZPJMESA-N 1 0 477.947 3.173 20 0 JGADRO Cn1nnc2c1CCN(c1cc3nc(Cl)cnc3cc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164715938 720178401 /nfs/dbraw/zinc/17/84/01/720178401.db2.gz FAIJIIZSSRVHCJ-IBGZPJMESA-N 1 0 462.385 3.281 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719542 720178730 /nfs/dbraw/zinc/17/87/30/720178730.db2.gz VSQWWUKIRZGMLK-IBGZPJMESA-N 1 0 477.947 3.173 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)C2 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20 0 JGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)nc1 ZINC001164834838 720479432 /nfs/dbraw/zinc/47/94/32/720479432.db2.gz VTTHOGJYXBIXSP-NOZRDPDXSA-N 1 0 482.673 3.205 20 0 JGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)ncc2C(=O)OCc2ccccc2)C1 ZINC001164731382 720506703 /nfs/dbraw/zinc/50/67/03/720506703.db2.gz QBQDKXKJPYIKSS-KRWDZBQOSA-N 1 0 490.942 3.426 20 0 JGADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)ncc2C(=O)OCc2ccccc2)C1 ZINC001164731385 720506755 /nfs/dbraw/zinc/50/67/55/720506755.db2.gz QBQDKXKJPYIKSS-QGZVFWFLSA-N 1 0 490.942 3.426 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840581 720518920 /nfs/dbraw/zinc/51/89/20/720518920.db2.gz WJRPHCYRHBLHNK-YESZJQIVSA-N 1 0 453.969 3.315 20 0 JGADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)c(F)cc2C(=O)NCc2cccs2)C1 ZINC001164730000 720519370 /nfs/dbraw/zinc/51/93/70/720519370.db2.gz PMLJIEBVXXVAFI-AWEZNQCLSA-N 1 0 462.982 3.260 20 0 JGADRO 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COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164788248 721467408 /nfs/dbraw/zinc/46/74/08/721467408.db2.gz IVDABAAOQDFHTF-INIZCTEOSA-N 1 0 484.979 3.237 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(=O)N(C)C)cc1Cl)CC2 ZINC001164789532 721467899 /nfs/dbraw/zinc/46/78/99/721467899.db2.gz NOZBKZXIRIMRQU-HXUWFJFHSA-N 1 0 465.038 3.171 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CC2 ZINC001164786329 721471607 /nfs/dbraw/zinc/47/16/07/721471607.db2.gz AUPGNGWTCKVNRH-GOSISDBHSA-N 1 0 488.023 3.475 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c(OC)cc(OC)cc31)CC2 ZINC001164791253 721473468 /nfs/dbraw/zinc/47/34/68/721473468.db2.gz VZVSTXWRPYRJEZ-HXUWFJFHSA-N 1 0 470.614 3.381 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001164788783 721474033 /nfs/dbraw/zinc/47/40/33/721474033.db2.gz KQYAOQIVNUQLGB-KRWDZBQOSA-N 1 0 460.953 3.289 20 0 JGADRO Clc1nc2c(c(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)n1)CN(Cc1ccccc1)C2 ZINC001164789081 721484237 /nfs/dbraw/zinc/48/42/37/721484237.db2.gz ATJOWCAHALKTCQ-IPJJNNNSSA-N 1 0 478.000 3.198 20 0 JGADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164796676 721497682 /nfs/dbraw/zinc/49/76/82/721497682.db2.gz VDNULFQNXMGVHW-UHFFFAOYSA-N 1 0 455.628 3.142 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc(-c4ccc(Cl)nn4)cc2)CC3)CC1 ZINC001164794508 721519287 /nfs/dbraw/zinc/51/92/87/721519287.db2.gz FDQMWHSKWYUSCY-UHFFFAOYSA-N 1 0 473.959 3.306 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(-c4ccccc4F)nnc2Cl)CC3)CC1 ZINC001164796443 721522661 /nfs/dbraw/zinc/52/26/61/721522661.db2.gz YRPNAVKMXIKUGP-UHFFFAOYSA-N 1 0 491.949 3.445 20 0 JGADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900730 721524682 /nfs/dbraw/zinc/52/46/82/721524682.db2.gz UIWGYYBYZHEOEH-TZIWHRDSSA-N 1 0 493.564 3.149 20 0 JGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164904011 721533345 /nfs/dbraw/zinc/53/33/45/721533345.db2.gz FDPVJKXLCTUVKT-ACIOBRDBSA-N 1 0 494.615 3.462 20 0 JGADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906872 721539171 /nfs/dbraw/zinc/53/91/71/721539171.db2.gz LQJRUKKTOMKRNI-DZGCQCFKSA-N 1 0 455.317 3.441 20 0 JGADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@@H+]3C2)c1 ZINC001164911428 721541256 /nfs/dbraw/zinc/54/12/56/721541256.db2.gz WRWDKRCVVRBTEK-GMAHTHKFSA-N 1 0 475.572 3.405 20 0 JGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@@H+]3C2)c1 ZINC001164911415 721541792 /nfs/dbraw/zinc/54/17/92/721541792.db2.gz WRWDKRCVVRBTEK-FYYLOGMGSA-N 1 0 475.572 3.405 20 0 JGADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906923 721546565 /nfs/dbraw/zinc/54/65/65/721546565.db2.gz LVPKSZVRLJDABC-HKUYNNGSSA-N 1 0 470.545 3.334 20 0 JGADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907174 721556195 /nfs/dbraw/zinc/55/61/95/721556195.db2.gz MJKNWPLWAMZQPD-TZIWHRDSSA-N 1 0 462.591 3.030 20 0 JGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164911902 721560027 /nfs/dbraw/zinc/56/00/27/721560027.db2.gz ZZGVWGOIICYNHC-UKILVPOCSA-N 1 0 474.584 3.284 20 0 JGADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[N@@H+]3C2)c1 ZINC001164909159 721561941 /nfs/dbraw/zinc/56/19/41/721561941.db2.gz SCWSFAZWFJDXMM-ZCYQVOJMSA-N 1 0 475.568 3.461 20 0 JGADRO COC(=O)C[C@H](c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1)C1CC1 ZINC001164807297 721574303 /nfs/dbraw/zinc/57/43/03/721574303.db2.gz SOBCNJPEGVTGFZ-DUOVIKOCSA-N 1 0 450.583 3.402 20 0 JGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164801879 721585396 /nfs/dbraw/zinc/58/53/96/721585396.db2.gz GCAFJULQBPASRD-OARDWFSCSA-N 1 0 485.636 3.066 20 0 JGADRO O=C1CO[C@@]2(CN1c1ccsc1)COCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164801725 721593817 /nfs/dbraw/zinc/59/38/17/721593817.db2.gz SHDSNVWUTPVBPV-MHZLTWQESA-N 1 0 490.629 3.340 20 0 JGADRO CC(C)C(=O)N1CCC[C@]12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)C2 ZINC001165009807 721725941 /nfs/dbraw/zinc/72/59/41/721725941.db2.gz ZODJLHNTHLLUQM-CCLHPLFOSA-N 1 0 485.673 3.108 20 0 JGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)CC1 ZINC001165007993 721733130 /nfs/dbraw/zinc/73/31/30/721733130.db2.gz IKTGWPXPSHQPCL-UHFFFAOYSA-N 1 0 470.017 3.188 20 0 JGADRO COc1ccc(Cc2c(C)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc2C)cc1 ZINC001165013064 721748541 /nfs/dbraw/zinc/74/85/41/721748541.db2.gz SNODPQHKCGFMNN-UHFFFAOYSA-N 1 0 451.615 3.216 20 0 JGADRO COc1ccc(Oc2nc(Cl)ncc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)cc1 ZINC001165012573 721749466 /nfs/dbraw/zinc/74/94/66/721749466.db2.gz KVCDLUVQPUCALC-UHFFFAOYSA-N 1 0 459.978 3.454 20 0 JGADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164914332 721799649 /nfs/dbraw/zinc/79/96/49/721799649.db2.gz LXIBEEOEOCHHDM-AZGAKELHSA-N 1 0 451.615 3.131 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc1 ZINC001164914331 721799790 /nfs/dbraw/zinc/79/97/90/721799790.db2.gz LXIBEEOEOCHHDM-AOYPEHQESA-N 1 0 451.615 3.131 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@H]21 ZINC001165021482 721822997 /nfs/dbraw/zinc/82/29/97/721822997.db2.gz FUFXNEWKZDYECF-YMPZKCBVSA-N 1 0 462.646 3.204 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C[C@@H]21 ZINC001165018856 721825504 /nfs/dbraw/zinc/82/55/04/721825504.db2.gz AKRWKEMWZWDERB-BAGYTPMASA-N 1 0 462.598 3.044 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCCC3)C[C@H]21 ZINC001165029576 721827260 /nfs/dbraw/zinc/82/72/60/721827260.db2.gz XFQPYWPUZKMGQC-MDNUFGMLSA-N 1 0 469.655 3.388 20 0 JGADRO CCOC(=O)[C@H]1CCc2nnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)cc2C1 ZINC001165031026 721844998 /nfs/dbraw/zinc/84/49/98/721844998.db2.gz OTYSOSIWXBEEND-SFHVURJKSA-N 1 0 468.598 3.263 20 0 JGADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001164928994 721849431 /nfs/dbraw/zinc/84/94/31/721849431.db2.gz PJBUFOPYLIXYJL-OALUTQOASA-N 1 0 479.959 3.247 20 0 JGADRO COC(=O)c1cc2ccc(N3CC[NH+](C4CCCC4)CC3)nc2n1S(=O)(=O)c1ccccc1 ZINC001165027905 721857232 /nfs/dbraw/zinc/85/72/32/721857232.db2.gz BLESQFWBZXQNDL-UHFFFAOYSA-N 1 0 468.579 3.125 20 0 JGADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC001164930944 721888231 /nfs/dbraw/zinc/88/82/31/721888231.db2.gz DNVZFZAWCHOENK-MOPGFXCFSA-N 1 0 467.948 3.348 20 0 JGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncccc4S(=O)(=O)N4CCCC4)CC3)C2)cc1 ZINC001164940232 721928636 /nfs/dbraw/zinc/92/86/36/721928636.db2.gz SRMDURNOIRGLEX-UHFFFAOYSA-N 1 0 470.639 3.046 20 0 JGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164942601 721933520 /nfs/dbraw/zinc/93/35/20/721933520.db2.gz MGFAQFLQHDSLLD-UHFFFAOYSA-N 1 0 458.006 3.450 20 0 JGADRO Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21 ZINC001164950270 721964447 /nfs/dbraw/zinc/96/44/47/721964447.db2.gz ZXUYMSVBDWIGSU-SFTDATJTSA-N 1 0 479.959 3.351 20 0 JGADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954122 722014519 /nfs/dbraw/zinc/01/45/19/722014519.db2.gz INUSZGHWWNOIFK-UHFFFAOYSA-N 1 0 478.975 3.399 20 0 JGADRO Cc1ccc(N(c2ncnc3c2CCN(Cc2ccccc2)C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960596 722025444 /nfs/dbraw/zinc/02/54/44/722025444.db2.gz LEFSJWAGWASMPG-CUNXSJBXSA-N 1 0 471.609 3.183 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)nc1 ZINC001164957519 722032163 /nfs/dbraw/zinc/03/21/63/722032163.db2.gz MQJVDJCMOZELJU-OLKYXYMISA-N 1 0 466.630 3.023 20 0 JGADRO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1OCC ZINC001164963105 722055769 /nfs/dbraw/zinc/05/57/69/722055769.db2.gz HGFDUILPEUUOQL-UHFFFAOYSA-N 1 0 454.571 3.171 20 0 JGADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962424 722056239 /nfs/dbraw/zinc/05/62/39/722056239.db2.gz DMUXNZLAGLDZRL-UHFFFAOYSA-N 1 0 451.571 3.045 20 0 JGADRO CN(C)c1nc(-c2ccccc2)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964322 722057221 /nfs/dbraw/zinc/05/72/21/722057221.db2.gz UXUNYUSRYGZFPN-UHFFFAOYSA-N 1 0 459.598 3.119 20 0 JGADRO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959971 722060196 /nfs/dbraw/zinc/06/01/96/722060196.db2.gz BBODJRZVGKPFSR-QFIPXVFZSA-N 1 0 485.938 3.449 20 0 JGADRO c1ccc(N2CCN(c3cc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)ncn3)CC2)cc1 ZINC001164961623 722060854 /nfs/dbraw/zinc/06/08/54/722060854.db2.gz MZYGNYQDEVACOL-UHFFFAOYSA-N 1 0 499.663 3.317 20 0 JGADRO Clc1nnc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1N1CCOCC1 ZINC001164966497 722062450 /nfs/dbraw/zinc/06/24/50/722062450.db2.gz UZZXRTQYMDLDHA-UHFFFAOYSA-N 1 0 493.439 3.134 20 0 JGADRO c1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1-c1ccccc1 ZINC001164966952 722075271 /nfs/dbraw/zinc/07/52/71/722075271.db2.gz HKCMHUYYZSUOIB-SZPZYZBQSA-N 1 0 491.661 3.490 20 0 JGADRO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]21 ZINC001164970190 722081332 /nfs/dbraw/zinc/08/13/32/722081332.db2.gz OELSLCRXZOXGIO-CBQOVEMMSA-N 1 0 490.986 3.369 20 0 JGADRO c1ccc(CN2CCc3c(ncnc3N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970868 722112328 /nfs/dbraw/zinc/11/23/28/722112328.db2.gz AFMHEMQHVIOLKR-IGKIAQTJSA-N 1 0 470.621 3.157 20 0 JGADRO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2N1C1CCCC1 ZINC001164973327 722117359 /nfs/dbraw/zinc/11/73/59/722117359.db2.gz HAIWXTVXSGHCOL-HUVFLSCGSA-N 1 0 491.640 3.079 20 0 JGADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978397 722119024 /nfs/dbraw/zinc/11/90/24/722119024.db2.gz ONIZIOFMVHXTIR-WIYYLYMNSA-N 1 0 467.957 3.192 20 0 JGADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979774 722119255 /nfs/dbraw/zinc/11/92/55/722119255.db2.gz PVOMIGYYVKBVKO-RBBKRZOGSA-N 1 0 478.597 3.100 20 0 JGADRO COc1cc2nc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164980491 722120988 /nfs/dbraw/zinc/12/09/88/722120988.db2.gz RIVKTACOWVBEAT-HTAPYJJXSA-N 1 0 469.973 3.423 20 0 JGADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974395 722132464 /nfs/dbraw/zinc/13/24/64/722132464.db2.gz DQJRLEVLJUHMLU-DHLKQENFSA-N 1 0 474.609 3.138 20 0 JGADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974398 722132560 /nfs/dbraw/zinc/13/25/60/722132560.db2.gz DQJRLEVLJUHMLU-WIOPSUGQSA-N 1 0 474.609 3.138 20 0 JGADRO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974376 722133320 /nfs/dbraw/zinc/13/33/20/722133320.db2.gz DKQLYIHFHJBONO-OFNKIYASSA-N 1 0 497.640 3.480 20 0 JGADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2[nH]cnc21 ZINC001164978046 722137643 /nfs/dbraw/zinc/13/76/43/722137643.db2.gz JIKWZGMPMILFLL-UYAOXDASSA-N 1 0 479.585 3.427 20 0 JGADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2[nH]cnc21 ZINC001164978040 722137910 /nfs/dbraw/zinc/13/79/10/722137910.db2.gz JIKWZGMPMILFLL-AZUAARDMSA-N 1 0 479.585 3.427 20 0 JGADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973412 722139553 /nfs/dbraw/zinc/13/95/53/722139553.db2.gz CBXUEPIPYIACQE-VQIMIIECSA-N 1 0 466.916 3.189 20 0 JGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[C@H]3C2)c1 ZINC001164981555 722150837 /nfs/dbraw/zinc/15/08/37/722150837.db2.gz PJKWPACELFIBJJ-IGKIAQTJSA-N 1 0 486.620 3.103 20 0 JGADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971293 722158977 /nfs/dbraw/zinc/15/89/77/722158977.db2.gz BOXVVNDBWRHWCU-JKSUJKDBSA-N 1 0 480.972 3.493 20 0 JGADRO CN1c2ccccc2[C@@]2(CCN(c3nccc(NC(=O)C(C)(C)C)c3C[N@@H+]3CC[C@@H](CO)C3)C2)C1=O ZINC001164977628 722162534 /nfs/dbraw/zinc/16/25/34/722162534.db2.gz GJBFGJRJUCRMCK-GDJIYFAZSA-N 1 0 491.636 3.005 20 0 JGADRO Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC[C@H]32)cs1 ZINC001164984468 722178898 /nfs/dbraw/zinc/17/88/98/722178898.db2.gz DZSIVGSEZSTVKS-UXHICEINSA-N 1 0 463.051 3.232 20 0 JGADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(N4CCCC4)nc(N4CCCC4)n2)C3)c1 ZINC001164997212 722207881 /nfs/dbraw/zinc/20/78/81/722207881.db2.gz XDWQTXHJKPPOTM-RUZDIDTESA-N 1 0 451.594 3.456 20 0 JGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165003131 722241961 /nfs/dbraw/zinc/24/19/61/722241961.db2.gz IIEUEXJZVSCYQB-REWPJTCUSA-N 1 0 474.613 3.072 20 0 JGADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001165001834 722256007 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1069341802 /nfs/dbraw/zinc/34/18/02/1069341802.db2.gz SZDZAEJOTQLAED-CEWLAPEOSA-N 1 0 493.649 3.445 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001305814312 1069345785 /nfs/dbraw/zinc/34/57/85/1069345785.db2.gz DWVRYLGGXBGARP-QZTJIDSGSA-N 1 0 482.050 3.105 20 0 JGADRO CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC001305814757 1069346819 /nfs/dbraw/zinc/34/68/19/1069346819.db2.gz IZSUYJSUNSHSID-LJQANCHMSA-N 1 0 478.588 3.224 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC001305814911 1069347506 /nfs/dbraw/zinc/34/75/06/1069347506.db2.gz HZNYWXFULAYPDJ-RBUKOAKNSA-N 1 0 464.010 3.333 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)C[C@H](C)C(=O)NC)[NH+]1CCCC1 ZINC001305816070 1069349400 /nfs/dbraw/zinc/34/94/00/1069349400.db2.gz YQDLHOLSQSMIRK-LPHOPBHVSA-N 1 0 477.451 3.400 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)OC ZINC001305817143 1069351243 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CNC(=O)C1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001299109930 1064917965 /nfs/dbraw/zinc/91/79/65/1064917965.db2.gz MXQHWVKLYVAZMY-UHFFFAOYSA-N 1 0 498.672 3.435 20 0 JGADRO CNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001299119114 1064927671 /nfs/dbraw/zinc/92/76/71/1064927671.db2.gz VTQDYZNBOKFPKJ-OAQYLSRUSA-N 1 0 450.587 3.036 20 0 JGADRO CNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001299119248 1064927821 /nfs/dbraw/zinc/92/78/21/1064927821.db2.gz ABDXBWYTWIVSCP-NRFANRHFSA-N 1 0 470.618 3.335 20 0 JGADRO CNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001299119343 1064928211 /nfs/dbraw/zinc/92/82/11/1064928211.db2.gz DZDITZQEGPUXTD-QFIPXVFZSA-N 1 0 452.647 3.146 20 0 JGADRO CNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001299119904 1064929103 /nfs/dbraw/zinc/92/91/03/1064929103.db2.gz NMMYYRUWVJZNNZ-OAQYLSRUSA-N 1 0 482.673 3.156 20 0 JGADRO 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CO[C@]1(C)CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001299752160 1064952274 /nfs/dbraw/zinc/95/22/74/1064952274.db2.gz WKGMMDFMQLLQLD-WIYYLYMNSA-N 1 0 465.440 3.392 20 0 JGADRO CO[C@]1(C)CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001299757387 1064955557 /nfs/dbraw/zinc/95/55/57/1064955557.db2.gz GYAJPGLVDPDIJE-RUZDIDTESA-N 1 0 467.618 3.063 20 0 JGADRO CO[C@]1(C)CCCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001299757454 1064955644 /nfs/dbraw/zinc/95/56/44/1064955644.db2.gz USEKGOAQQRXXIJ-RUZDIDTESA-N 1 0 452.603 3.278 20 0 JGADRO CO[C@]1(C)CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[N@H+](C)C(C)C)CC1 ZINC001299764972 1064961675 /nfs/dbraw/zinc/96/16/75/1064961675.db2.gz QTPKKQQMSLEURK-RUZDIDTESA-N 1 0 470.666 3.188 20 0 JGADRO CO[C@]1(C)CCCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001299765643 1064962236 /nfs/dbraw/zinc/96/22/36/1064962236.db2.gz GOCDXUHOOHIBDQ-IEGUWTFLSA-N 1 0 462.664 3.138 20 0 JGADRO 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484.645 3.319 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](OC)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001299946020 1065219630 /nfs/dbraw/zinc/21/96/30/1065219630.db2.gz XHMSMESILVAWGM-ZVDOUQERSA-N 1 0 473.618 3.077 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2C[C@H](OC)C(C)C)c1 ZINC001299946720 1065221959 /nfs/dbraw/zinc/22/19/59/1065221959.db2.gz MPIXNXFHLYGRHM-DEOSSOPVSA-N 1 0 497.644 3.079 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001299947131 1065223126 /nfs/dbraw/zinc/22/31/26/1065223126.db2.gz ZQFHZJCGIOZJAM-UHFFFAOYSA-N 1 0 484.567 3.377 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(C(C)=O)C4(CCCCC4)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299950737 1065226392 /nfs/dbraw/zinc/22/63/92/1065226392.db2.gz NHQWBVCHMQJLRZ-LJQANCHMSA-N 1 0 484.645 3.284 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC001299951169 1065227883 /nfs/dbraw/zinc/22/78/83/1065227883.db2.gz QQJCRHXCPKDXOX-PZJWPPBQSA-N 1 0 487.645 3.203 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CCCOC(C)C)c1 ZINC001299951614 1065228386 /nfs/dbraw/zinc/22/83/86/1065228386.db2.gz SXBFXRYJIDYTTR-FQEVSTJZSA-N 1 0 487.645 3.467 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001299951742 1065229873 /nfs/dbraw/zinc/22/98/73/1065229873.db2.gz USHMGKUJHGLSSS-UHFFFAOYSA-N 1 0 484.645 3.332 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001299953766 1065234372 /nfs/dbraw/zinc/23/43/72/1065234372.db2.gz OZWNPOURENJGPT-MSYCTHLASA-N 1 0 457.619 3.290 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001299958815 1065238259 /nfs/dbraw/zinc/23/82/59/1065238259.db2.gz DAIYAJXZJUCNIR-JOCHJYFZSA-N 1 0 453.591 3.265 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001299959556 1065240428 /nfs/dbraw/zinc/24/04/28/1065240428.db2.gz TULLJCQHSCJILE-OALUTQOASA-N 1 0 470.618 3.306 20 0 JGADRO COc1cc(OC)cc(N2CCCN(c3nnc(Cc4ccccn4)n3CC[N@H+](C)C(C)C)CC2)c1 ZINC001299960184 1065241706 /nfs/dbraw/zinc/24/17/06/1065241706.db2.gz PQVMWSPSKOMSBW-UHFFFAOYSA-N 1 0 493.656 3.338 20 0 JGADRO COc1cc2c(cc1OC)CCN(c1nnc(Cc3csc(C)n3)n1C[C@H](C)[NH+](C)C)CC2 ZINC001299961391 1065243069 /nfs/dbraw/zinc/24/30/69/1065243069.db2.gz IFWRETAYUIJSEP-INIZCTEOSA-N 1 0 470.643 3.206 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)[C@@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001299968061 1065251023 /nfs/dbraw/zinc/25/10/23/1065251023.db2.gz YVGLKAZVSLXMLW-QVKFZJNVSA-N 1 0 496.475 3.379 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC=CCC3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001299969314 1065255803 /nfs/dbraw/zinc/25/58/03/1065255803.db2.gz QGEPSDPRILCDRS-KRWDZBQOSA-N 1 0 476.419 3.329 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC[C@@H](c4cnn(C)c4)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299969972 1065257449 /nfs/dbraw/zinc/25/74/49/1065257449.db2.gz CWIHEHCHTLAFRX-JKSUJKDBSA-N 1 0 488.434 3.394 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001299974976 1065267706 /nfs/dbraw/zinc/26/77/06/1065267706.db2.gz JOHJBJPGMPOZTR-INIZCTEOSA-N 1 0 464.408 3.285 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001299975222 1065268877 /nfs/dbraw/zinc/26/88/77/1065268877.db2.gz IMHRBORABIZBQL-QINHECLXSA-N 1 0 496.425 3.479 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001299982979 1065283785 /nfs/dbraw/zinc/28/37/85/1065283785.db2.gz CKMWESWWBIZSFE-AQNXPRMDSA-N 1 0 465.602 3.440 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001299984962 1065286477 /nfs/dbraw/zinc/28/64/77/1065286477.db2.gz RJXUXVWXEQTHTF-PWIZWCRZSA-N 1 0 452.559 3.331 20 0 JGADRO COc1ccc(C)cc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299991496 1065296874 /nfs/dbraw/zinc/29/68/74/1065296874.db2.gz XARXKCPYAPMLFI-QHCPKHFHSA-N 1 0 484.689 3.062 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[NH+]2CCCCCC2)cc1 ZINC001299991765 1065297629 /nfs/dbraw/zinc/29/76/29/1065297629.db2.gz BMSHKYGSGXTAHO-MOPGFXCFSA-N 1 0 463.648 3.088 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001299996837 1065306332 /nfs/dbraw/zinc/30/63/32/1065306332.db2.gz QGCYUBYEBPYTPU-NRFANRHFSA-N 1 0 458.676 3.169 20 0 JGADRO Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c(=O)n1C ZINC001492201369 1065314942 /nfs/dbraw/zinc/31/49/42/1065314942.db2.gz VXAJUIZKZBOJPT-UHFFFAOYSA-N 1 0 478.641 3.266 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)(C)C)n3CCOCC[NH+](C)C)CC2)cc1F ZINC001492206019 1065320693 /nfs/dbraw/zinc/32/06/93/1065320693.db2.gz SHTSQQBRLSHDEC-UHFFFAOYSA-N 1 0 488.652 3.134 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001492238227 1065323693 /nfs/dbraw/zinc/32/36/93/1065323693.db2.gz MVJNAAIQBXLSPM-BGYRXZFFSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCCC2)c1 ZINC001492211593 1065324971 /nfs/dbraw/zinc/32/49/71/1065324971.db2.gz PCWIXRWHBYDNQP-IBGZPJMESA-N 1 0 463.623 3.140 20 0 JGADRO Cc1ccc(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001492221883 1065328483 /nfs/dbraw/zinc/32/84/83/1065328483.db2.gz WDJKTHJVLDSNPW-WIOPSUGQSA-N 1 0 457.619 3.242 20 0 JGADRO Cc1ccc(N(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)cc1 ZINC001492224503 1065329082 /nfs/dbraw/zinc/32/90/82/1065329082.db2.gz MVZJAYAWIAZMCN-NRFANRHFSA-N 1 0 488.633 3.241 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@]3([NH+](C)C)CCSC3)CC2=O)cc1 ZINC001492228594 1065331201 /nfs/dbraw/zinc/33/12/01/1065331201.db2.gz XELBDTZPPHQVJY-XMMPIXPASA-N 1 0 456.660 3.175 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](C)[NH+](C)C)CC2=O)cc1 ZINC001492231785 1065332337 /nfs/dbraw/zinc/33/23/37/1065332337.db2.gz YPLBQIVKRSSXPT-KRWDZBQOSA-N 1 0 453.978 3.105 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCSC2)cc1C ZINC001492240402 1065338254 /nfs/dbraw/zinc/33/82/54/1065338254.db2.gz KSHXCGHHIYXBHJ-CJFMBICVSA-N 1 0 486.686 3.447 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492243987 1065342194 /nfs/dbraw/zinc/34/21/94/1065342194.db2.gz JFBJOTRSMJHVQO-RZUBCFFCSA-N 1 0 454.619 3.086 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001492250673 1065350435 /nfs/dbraw/zinc/35/04/35/1065350435.db2.gz OWAMNFVXJQBQDM-QHCPKHFHSA-N 1 0 495.672 3.228 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCNC(=O)OC(C)(C)C)cc1C ZINC001492266171 1065360941 /nfs/dbraw/zinc/36/09/41/1065360941.db2.gz KKANTJOMHSKNFN-UHFFFAOYSA-N 1 0 497.644 3.204 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCNC(=O)C(C)C)cc1C ZINC001492266439 1065361670 /nfs/dbraw/zinc/36/16/70/1065361670.db2.gz MKCWBWKYDGGDKF-UHFFFAOYSA-N 1 0 483.661 3.230 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492273707 1065366807 /nfs/dbraw/zinc/36/68/07/1065366807.db2.gz KSERBCCEWZTOPB-SFHVURJKSA-N 1 0 468.524 3.255 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@@H]3CO)C2)nc1 ZINC001492276162 1065370394 /nfs/dbraw/zinc/37/03/94/1065370394.db2.gz NWQSAUNRDIGLEM-FCHUYYIVSA-N 1 0 497.688 3.371 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)C2)nc1 ZINC001492280286 1065373215 /nfs/dbraw/zinc/37/32/15/1065373215.db2.gz FFDQQXMRPPCPTL-GOTSBHOMSA-N 1 0 497.688 3.392 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCSCC3)CC2)nc1 ZINC001492281425 1065374627 /nfs/dbraw/zinc/37/46/27/1065374627.db2.gz RAGSNJJJRFNJKG-UHFFFAOYSA-N 1 0 471.675 3.183 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001492286318 1065378478 /nfs/dbraw/zinc/37/84/78/1065378478.db2.gz BQKJSPDEYCXYPX-GBXCKJPGSA-N 1 0 472.659 3.340 20 0 JGADRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc([C@@H]4CCCOC4)n3C[C@H](C)[NH+](C)C)C2)cc1 ZINC001492287103 1065379958 /nfs/dbraw/zinc/37/99/58/1065379958.db2.gz AXQLNSKQZDEWBH-FDFHNCONSA-N 1 0 483.661 3.469 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001492288048 1065381804 /nfs/dbraw/zinc/38/18/04/1065381804.db2.gz VKVXRSLBTHHRKR-NRFANRHFSA-N 1 0 476.629 3.486 20 0 JGADRO Cc1nc(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@H](C2CC2)[NH+](C)C)cs1 ZINC001492288479 1065383216 /nfs/dbraw/zinc/38/32/16/1065383216.db2.gz MRSNOLFXFQDIGN-OAQYLSRUSA-N 1 0 467.643 3.357 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001492318561 1065394146 /nfs/dbraw/zinc/39/41/46/1065394146.db2.gz XEGHXJKLSJNTNN-HXUWFJFHSA-N 1 0 475.659 3.053 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001492340261 1065408397 /nfs/dbraw/zinc/40/83/97/1065408397.db2.gz RGCVJZKWSYPYGL-RTWAWAEBSA-N 1 0 456.635 3.117 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@](C)(N4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001492352892 1065414842 /nfs/dbraw/zinc/41/48/42/1065414842.db2.gz RGXPHBNJALRTDD-HOFKKMOUSA-N 1 0 484.689 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC2([NH+](C)C)CCOCC2)cc1C ZINC001492354159 1065418816 /nfs/dbraw/zinc/41/88/16/1065418816.db2.gz YXXXBAYQKYMVQW-UHFFFAOYSA-N 1 0 498.672 3.067 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001492360405 1065422196 /nfs/dbraw/zinc/42/21/96/1065422196.db2.gz STIUXCBJUPRSMO-RUZDIDTESA-N 1 0 484.689 3.489 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001492363405 1065424160 /nfs/dbraw/zinc/42/41/60/1065424160.db2.gz JGNDKBJIPUDFSX-HFZDXXHNSA-N 1 0 468.646 3.309 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001492363661 1065425683 /nfs/dbraw/zinc/42/56/83/1065425683.db2.gz LMMJJYMWUCOQSE-PKTZIBPZSA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC[NH+]2CCCC2)cc1 ZINC001492391102 1065428078 /nfs/dbraw/zinc/42/80/78/1065428078.db2.gz MLLAWRCTBBVXAV-UHFFFAOYSA-N 1 0 466.552 3.336 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CC(=O)N(C)C)cc1 ZINC001492369722 1065430221 /nfs/dbraw/zinc/43/02/21/1065430221.db2.gz APEXNZRCZBVSTR-FCHUYYIVSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[NH+]2CCCCC2)cc1C ZINC001492370779 1065433544 /nfs/dbraw/zinc/43/35/44/1065433544.db2.gz LOOGGLDMYLCCDV-OAQYLSRUSA-N 1 0 454.619 3.052 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492372204 1065436546 /nfs/dbraw/zinc/43/65/46/1065436546.db2.gz XHWBEDCHIYXPGU-PXDATVDWSA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001492376608 1065438867 /nfs/dbraw/zinc/43/88/67/1065438867.db2.gz AYFMBZVMJJGDBC-UHFFFAOYSA-N 1 0 477.613 3.018 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[NH+]2CCCCC2)cc1C ZINC001492377697 1065442335 /nfs/dbraw/zinc/44/23/35/1065442335.db2.gz UXPBQFVXSJRJTE-NRFANRHFSA-N 1 0 454.619 3.052 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001492377866 1065442357 /nfs/dbraw/zinc/44/23/57/1065442357.db2.gz XKTQYUJBAZXJDH-BDTNDASRSA-N 1 0 468.646 3.235 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(=O)NCC2CC2)cc1C ZINC001492378662 1065443062 /nfs/dbraw/zinc/44/30/62/1065443062.db2.gz LTLQOGREUHSOEH-UHFFFAOYSA-N 1 0 468.646 3.311 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001492383022 1065446228 /nfs/dbraw/zinc/44/62/28/1065446228.db2.gz INKAUYMOTLQFKV-ISJBWFOZSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001492383023 1065446261 /nfs/dbraw/zinc/44/62/61/1065446261.db2.gz INKAUYMOTLQFKV-SWYRRKHMSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001492340995 1065457182 /nfs/dbraw/zinc/45/71/82/1065457182.db2.gz XPJYQQQUNSXOLC-NQIIRXRSSA-N 1 0 497.562 3.168 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001492340997 1065457281 /nfs/dbraw/zinc/45/72/81/1065457281.db2.gz XPJYQQQUNSXOLC-WIYYLYMNSA-N 1 0 497.562 3.168 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001492341042 1065457294 /nfs/dbraw/zinc/45/72/94/1065457294.db2.gz YDCBFMVFAATZDG-JTHBVZDNSA-N 1 0 468.646 3.261 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001492345351 1065460526 /nfs/dbraw/zinc/46/05/26/1065460526.db2.gz CVCPXLIQKKWINB-HSZRJFAPSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492345863 1065461096 /nfs/dbraw/zinc/46/10/96/1065461096.db2.gz FVKCUOUAIPIFPW-FQEVSTJZSA-N 1 0 456.635 3.199 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492392231 1065464480 /nfs/dbraw/zinc/46/44/80/1065464480.db2.gz WMOGYWOKXVPQDE-OYRHEFFESA-N 1 0 492.615 3.052 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492392756 1065465380 /nfs/dbraw/zinc/46/53/80/1065465380.db2.gz JKZLJYKWKZYWMB-FGZHOGPDSA-N 1 0 471.646 3.324 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CCOCC[NH+](C)C)cc1 ZINC001492395443 1065467801 /nfs/dbraw/zinc/46/78/01/1065467801.db2.gz SOGWAEJALYYSSJ-VWLOTQADSA-N 1 0 459.635 3.385 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[N@H+]2CC=CCC2)cc1C ZINC001492402120 1065471716 /nfs/dbraw/zinc/47/17/16/1065471716.db2.gz RTUKWEMQZXNDON-DEOSSOPVSA-N 1 0 469.630 3.366 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSCC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1C ZINC001492402651 1065472541 /nfs/dbraw/zinc/47/25/41/1065472541.db2.gz VYLUBZVAWRGFNJ-UHFFFAOYSA-N 1 0 472.703 3.301 20 0 JGADRO Cc1ccc(OCc2nnc(Nc3ccn(C)n3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001492409390 1065475143 /nfs/dbraw/zinc/47/51/43/1065475143.db2.gz UPEVXRYFPFRUOX-BGYRXZFFSA-N 1 0 453.591 3.450 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001492418148 1065478799 /nfs/dbraw/zinc/47/87/99/1065478799.db2.gz DJWNCPPVLHCMAB-QHCPKHFHSA-N 1 0 468.646 3.458 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492418305 1065478807 /nfs/dbraw/zinc/47/88/07/1065478807.db2.gz FTYZJVQEONETJI-QFIPXVFZSA-N 1 0 468.646 3.458 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001492420543 1065481146 /nfs/dbraw/zinc/48/11/46/1065481146.db2.gz GSHNNOQSLAKZIE-VQTJNVASSA-N 1 0 468.627 3.417 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001492391454 1065498310 /nfs/dbraw/zinc/49/83/10/1065498310.db2.gz STPLYHNGRWOXBH-JOCHJYFZSA-N 1 0 468.646 3.404 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492460361 1065508709 /nfs/dbraw/zinc/50/87/09/1065508709.db2.gz WBYSAZAELCQYPJ-LJQANCHMSA-N 1 0 465.689 3.090 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001492461706 1065510529 /nfs/dbraw/zinc/51/05/29/1065510529.db2.gz HJYFVDBHPNUYGF-RTBURBONSA-N 1 0 456.660 3.453 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCS(C)(=O)=O)cc1 ZINC001492464071 1065511519 /nfs/dbraw/zinc/51/15/19/1065511519.db2.gz YBMZRSWNUCSEPP-UHFFFAOYSA-N 1 0 477.700 3.378 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCC[NH+]2CCCCC2)cc1 ZINC001492465984 1065513310 /nfs/dbraw/zinc/51/33/10/1065513310.db2.gz RIJYYXPYBYCARX-FQEVSTJZSA-N 1 0 456.660 3.422 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001492467671 1065514724 /nfs/dbraw/zinc/51/47/24/1065514724.db2.gz JMVGXQQSHBVBNP-XMMPIXPASA-N 1 0 456.660 3.135 20 0 JGADRO Cc1cccc(C(=O)NCCn2c(-c3cccc(C)n3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001492478498 1065524806 /nfs/dbraw/zinc/52/48/06/1065524806.db2.gz NUJGCQSGJNILBK-UHFFFAOYSA-N 1 0 461.614 3.354 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCC(O)CC2)CC[C@@H]1C ZINC001300795586 1065525860 /nfs/dbraw/zinc/52/58/60/1065525860.db2.gz OSKCDRDCUUXXDY-LAUBAEHRSA-N 1 0 479.572 3.255 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCC2)CC1(C)C ZINC001300798115 1065530179 /nfs/dbraw/zinc/53/01/79/1065530179.db2.gz ZMKXSNWYPIFCCV-MRXNPFEDSA-N 1 0 451.413 3.381 20 0 JGADRO CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC[C@@H]1C ZINC001300800655 1065532901 /nfs/dbraw/zinc/53/29/01/1065532901.db2.gz UHJGZJBILJSKJS-XQBPLPMBSA-N 1 0 489.064 3.455 20 0 JGADRO CO[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC[C@@H]1C ZINC001300801008 1065533380 /nfs/dbraw/zinc/53/33/80/1065533380.db2.gz WDYMRLGIDSBHRQ-CVDCTZTESA-N 1 0 455.647 3.442 20 0 JGADRO CO[C@H]1CN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1(C)C ZINC001300812642 1065542940 /nfs/dbraw/zinc/54/29/40/1065542940.db2.gz KTPWJNDENGVUQO-VXKWHMMOSA-N 1 0 468.646 3.057 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC2CC[NH+](CCN(C)C)CC2)CC1(C)C ZINC001300813203 1065543579 /nfs/dbraw/zinc/54/35/79/1065543579.db2.gz NHGFUBYBJIWJNZ-JOCHJYFZSA-N 1 0 458.626 3.219 20 0 JGADRO CO[C@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC[NH+](C(C)C)C(C)C)CC[C@H]1C ZINC001300813581 1065544016 /nfs/dbraw/zinc/54/40/16/1065544016.db2.gz ZUHSTEKTWZMDBX-OFNKIYASSA-N 1 0 481.649 3.291 20 0 JGADRO O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC001300822299 1065549488 /nfs/dbraw/zinc/54/94/88/1065549488.db2.gz WFXBOTZYEMDDFP-LADGPHEKSA-N 1 0 455.624 3.374 20 0 JGADRO CO[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1(C)C ZINC001300837185 1065573002 /nfs/dbraw/zinc/57/30/02/1065573002.db2.gz BWXGGQZOONBAME-FPOVZHCZSA-N 1 0 478.037 3.219 20 0 JGADRO CO[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1(C)C ZINC001300837187 1065573178 /nfs/dbraw/zinc/57/31/78/1065573178.db2.gz BWXGGQZOONBAME-TZIWHRDSSA-N 1 0 478.037 3.219 20 0 JGADRO COc1cc(N)c(C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)cc1Br ZINC001300842587 1065580800 /nfs/dbraw/zinc/58/08/00/1065580800.db2.gz UTQRHLYLXJDYQS-UHFFFAOYSA-N 1 0 459.388 3.125 20 0 JGADRO CO[C@@H]1COCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001300854726 1065601599 /nfs/dbraw/zinc/60/15/99/1065601599.db2.gz NCXWZRMPYHAVPS-NZQKXSOJSA-N 1 0 484.645 3.166 20 0 JGADRO CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300856232 1065605979 /nfs/dbraw/zinc/60/59/79/1065605979.db2.gz SZSWHYOWDZUZMC-IFMALSPDSA-N 1 0 484.645 3.119 20 0 JGADRO COCC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001300891409 1065680995 /nfs/dbraw/zinc/68/09/95/1065680995.db2.gz JOPZVQRXUWXWCI-HXUWFJFHSA-N 1 0 489.064 3.082 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001300904394 1065703571 /nfs/dbraw/zinc/70/35/71/1065703571.db2.gz PABINUFOJRVNRT-CCLHPLFOSA-N 1 0 498.672 3.196 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(C3CCCC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300908425 1065707380 /nfs/dbraw/zinc/70/73/80/1065707380.db2.gz ZCUCTIRFZVXISA-BGYRXZFFSA-N 1 0 460.667 3.035 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001300910828 1065709034 /nfs/dbraw/zinc/70/90/34/1065709034.db2.gz PBTORSPMDMHJKT-OAQYLSRUSA-N 1 0 462.683 3.109 20 0 JGADRO COCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001300932237 1065732181 /nfs/dbraw/zinc/73/21/81/1065732181.db2.gz RHSDPBLRIYMGOE-HXUWFJFHSA-N 1 0 475.037 3.209 20 0 JGADRO COCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001300939007 1065741509 /nfs/dbraw/zinc/74/15/09/1065741509.db2.gz YBJBLZUCSOOASF-IBGZPJMESA-N 1 0 465.602 3.300 20 0 JGADRO COCC(C)(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001300941126 1065742947 /nfs/dbraw/zinc/74/29/47/1065742947.db2.gz ZTSRNOWTCNWXLN-UHFFFAOYSA-N 1 0 453.591 3.045 20 0 JGADRO COCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001300943150 1065745663 /nfs/dbraw/zinc/74/56/63/1065745663.db2.gz SLTUFKFAYQAPBO-IRLDBZIGSA-N 1 0 495.734 3.334 20 0 JGADRO COCC(C)(C)Cn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001300945421 1065748275 /nfs/dbraw/zinc/74/82/75/1065748275.db2.gz NJIFAYSJYRAEQG-XUZZJYLKSA-N 1 0 480.661 3.189 20 0 JGADRO COCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001300945417 1065748358 /nfs/dbraw/zinc/74/83/58/1065748358.db2.gz NBIZFHJUCZMGMO-UHFFFAOYSA-N 1 0 454.644 3.363 20 0 JGADRO COC[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001300954209 1065758579 /nfs/dbraw/zinc/75/85/79/1065758579.db2.gz VVRRQSFBVXKJCH-WOJBJXKFSA-N 1 0 485.608 3.286 20 0 JGADRO COC[C@@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001300959000 1065766182 /nfs/dbraw/zinc/76/61/82/1065766182.db2.gz XPZHZRADPLFUPQ-AZUAARDMSA-N 1 0 473.618 3.318 20 0 JGADRO COC[C@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001300959003 1065766387 /nfs/dbraw/zinc/76/63/87/1065766387.db2.gz XPZHZRADPLFUPQ-UYAOXDASSA-N 1 0 473.618 3.318 20 0 JGADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001300982657 1065794384 /nfs/dbraw/zinc/79/43/84/1065794384.db2.gz MVHJBPKUQFOQRA-IBGZPJMESA-N 1 0 459.553 3.061 20 0 JGADRO COC[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001301002724 1065829708 /nfs/dbraw/zinc/82/97/08/1065829708.db2.gz IGRBFAVOABIUAY-CTNGQTDRSA-N 1 0 476.666 3.207 20 0 JGADRO COC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001301035823 1065877613 /nfs/dbraw/zinc/87/76/13/1065877613.db2.gz YSKHUMKHIAFIIM-HXUWFJFHSA-N 1 0 496.077 3.186 20 0 JGADRO COC[C@@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001301044394 1065889983 /nfs/dbraw/zinc/88/99/83/1065889983.db2.gz NHBVDSZOOFGBIF-SFHVURJKSA-N 1 0 454.388 3.470 20 0 JGADRO COC[C@@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301045111 1065891104 /nfs/dbraw/zinc/89/11/04/1065891104.db2.gz QJRDQXRILXRZQC-ZWKOTPCHSA-N 1 0 452.372 3.367 20 0 JGADRO COC[C@@H](F)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001301048181 1065895473 /nfs/dbraw/zinc/89/54/73/1065895473.db2.gz LHNAZZWHXZJDMV-WMZOPIPTSA-N 1 0 482.000 3.281 20 0 JGADRO COC[C@H](F)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001301052352 1065901065 /nfs/dbraw/zinc/90/10/65/1065901065.db2.gz CIBGOIXDHDKFOL-USXIJHARSA-N 1 0 482.398 3.374 20 0 JGADRO COC[C@@H](F)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001301054833 1065905368 /nfs/dbraw/zinc/90/53/68/1065905368.db2.gz XMFMHAFUEGRDKQ-IBGZPJMESA-N 1 0 474.968 3.179 20 0 JGADRO COC[C@H](F)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001301070150 1065921919 /nfs/dbraw/zinc/92/19/19/1065921919.db2.gz SUAZCPVUSGAVAD-UXHICEINSA-N 1 0 480.629 3.052 20 0 JGADRO COC[C@@H](F)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001301077959 1065927997 /nfs/dbraw/zinc/92/79/97/1065927997.db2.gz SOWNTYFSDKARBO-YADHBBJMSA-N 1 0 472.653 3.500 20 0 JGADRO COCC1(C)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301078766 1065928997 /nfs/dbraw/zinc/92/89/97/1065928997.db2.gz YIMMVGWGLFSGSM-PMACEKPBSA-N 1 0 469.634 3.299 20 0 JGADRO COC[C@@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001301078975 1065929096 /nfs/dbraw/zinc/92/90/96/1065929096.db2.gz WHKLDGZTWAZQDO-QFIPXVFZSA-N 1 0 461.630 3.217 20 0 JGADRO COCC1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001301078973 1065929118 /nfs/dbraw/zinc/92/91/18/1065929118.db2.gz ZTXMXUMQYUBFBF-QHCPKHFHSA-N 1 0 498.672 3.247 20 0 JGADRO COC[C@@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001301079779 1065929584 /nfs/dbraw/zinc/92/95/84/1065929584.db2.gz XTGCDRBXUXRLQJ-GOTSBHOMSA-N 1 0 469.609 3.225 20 0 JGADRO COCC1(C)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001301088411 1065938402 /nfs/dbraw/zinc/93/84/02/1065938402.db2.gz NVFNKNDFPWZSOD-RUZDIDTESA-N 1 0 463.667 3.448 20 0 JGADRO COCC1(C)CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001301094342 1065941836 /nfs/dbraw/zinc/94/18/36/1065941836.db2.gz FBOCMKDBKKQPRG-OAQYLSRUSA-N 1 0 453.566 3.430 20 0 JGADRO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC001301112588 1065957848 /nfs/dbraw/zinc/95/78/48/1065957848.db2.gz YNLQIQWANHHWLN-FQEVSTJZSA-N 1 0 459.591 3.021 20 0 JGADRO COCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CC(C)C)CC2)CCCCC1 ZINC001301123330 1065964359 /nfs/dbraw/zinc/96/43/59/1065964359.db2.gz CSGPCNUJMVCCBD-UHFFFAOYSA-N 1 0 469.634 3.300 20 0 JGADRO COCC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)CCC1 ZINC001301124846 1065966429 /nfs/dbraw/zinc/96/64/29/1065966429.db2.gz JPPAWSNSJYMBGY-UHFFFAOYSA-N 1 0 475.659 3.086 20 0 JGADRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)ccc2C)c1 ZINC001301131148 1065972085 /nfs/dbraw/zinc/97/20/85/1065972085.db2.gz HZCMGHRWRRKONV-JOCHJYFZSA-N 1 0 457.596 3.087 20 0 JGADRO COCC1(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)CCCCC1 ZINC001301135899 1065974972 /nfs/dbraw/zinc/97/49/72/1065974972.db2.gz QANKRAGJSIMXDE-UHFFFAOYSA-N 1 0 456.635 3.484 20 0 JGADRO COCc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001301171500 1066005146 /nfs/dbraw/zinc/00/51/46/1066005146.db2.gz LMWSXESZZVSOCB-UHFFFAOYSA-N 1 0 482.654 3.242 20 0 JGADRO COCC1=CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCC[NH+](C)C)CC1 ZINC001301184828 1066014700 /nfs/dbraw/zinc/01/47/00/1066014700.db2.gz BVYJDEUPYYIBHK-GOSISDBHSA-N 1 0 459.660 3.493 20 0 JGADRO 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COC[C@@H]1CCCCN(c2nnc(C3CCCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301247206 1066064134 /nfs/dbraw/zinc/06/41/34/1066064134.db2.gz ZHXCVOWDBVKCQE-IFMALSPDSA-N 1 0 460.667 3.131 20 0 JGADRO COC[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001301247866 1066064914 /nfs/dbraw/zinc/06/49/14/1066064914.db2.gz BBWDEFVAIZDAGT-UGKGYDQZSA-N 1 0 472.609 3.095 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001301249169 1066066092 /nfs/dbraw/zinc/06/60/92/1066066092.db2.gz UGYOTVICMNGFKK-QNWVGRARSA-N 1 0 470.662 3.405 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301249165 1066066256 /nfs/dbraw/zinc/06/62/56/1066066256.db2.gz UGYOTVICMNGFKK-FUPPJEDESA-N 1 0 470.662 3.405 20 0 JGADRO COC[C@@H]1CCCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)C1 ZINC001301253144 1066069205 /nfs/dbraw/zinc/06/92/05/1066069205.db2.gz YUPRRLXWQZVQNK-NJYVYQBISA-N 1 0 476.666 3.398 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001301256061 1066070995 /nfs/dbraw/zinc/07/09/95/1066070995.db2.gz JUENQOXTFBNJFR-JOCHJYFZSA-N 1 0 498.672 3.245 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301260667 1066075552 /nfs/dbraw/zinc/07/55/52/1066075552.db2.gz DEHQUMFCSCNASF-SIKLNZKXSA-N 1 0 489.064 3.404 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001301261014 1066075920 /nfs/dbraw/zinc/07/59/20/1066075920.db2.gz IHFXUGHYZDFNRM-HXUWFJFHSA-N 1 0 487.645 3.060 20 0 JGADRO COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001301265607 1066081285 /nfs/dbraw/zinc/08/12/85/1066081285.db2.gz LHMUERURAGTXDI-IBGZPJMESA-N 1 0 491.080 3.496 20 0 JGADRO COC[C@@H]1CCCN(c2nnc(-c3cccc(OC)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001301265308 1066081349 /nfs/dbraw/zinc/08/13/49/1066081349.db2.gz KVXDPEIOPCLLJC-NJDAHSKKSA-N 1 0 457.619 3.316 20 0 JGADRO COC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001301282485 1066090552 /nfs/dbraw/zinc/09/05/52/1066090552.db2.gz MFVJUQPCKBHQRB-GOTSBHOMSA-N 1 0 457.667 3.371 20 0 JGADRO COC[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001301284056 1066092065 /nfs/dbraw/zinc/09/20/65/1066092065.db2.gz STRYXCSLWKUBIU-QFIPXVFZSA-N 1 0 460.667 3.021 20 0 JGADRO COCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001301285982 1066094192 /nfs/dbraw/zinc/09/41/92/1066094192.db2.gz KXNSVYSUSXWIQA-HSZRJFAPSA-N 1 0 468.646 3.425 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001301294266 1066099326 /nfs/dbraw/zinc/09/93/26/1066099326.db2.gz LNQZVAITPKSTHQ-VAMGGRTRSA-N 1 0 457.619 3.314 20 0 JGADRO COCC1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001301323423 1066118933 /nfs/dbraw/zinc/11/89/33/1066118933.db2.gz ITOJYWOOTCKENP-QHCPKHFHSA-N 1 0 465.614 3.447 20 0 JGADRO 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COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC001301358413 1066148331 /nfs/dbraw/zinc/14/83/31/1066148331.db2.gz MMMZAXYEDHULMQ-LNLFQRSKSA-N 1 0 495.466 3.398 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001301358414 1066148392 /nfs/dbraw/zinc/14/83/92/1066148392.db2.gz MMMZAXYEDHULMQ-SCTDSRPQSA-N 1 0 495.466 3.398 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC001301358411 1066148398 /nfs/dbraw/zinc/14/83/98/1066148398.db2.gz MMMZAXYEDHULMQ-AOIWGVFYSA-N 1 0 495.466 3.398 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001301361012 1066154235 /nfs/dbraw/zinc/15/42/35/1066154235.db2.gz UUEOSZLUSDGNLR-HKUYNNGSSA-N 1 0 481.439 3.008 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301361037 1066154732 /nfs/dbraw/zinc/15/47/32/1066154732.db2.gz VBEWVGNWENCTPA-RYRKJORJSA-N 1 0 481.439 3.008 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001301361203 1066155248 /nfs/dbraw/zinc/15/52/48/1066155248.db2.gz NZZADUWXEBXQLF-HXUWFJFHSA-N 1 0 478.435 3.291 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001301364235 1066159609 /nfs/dbraw/zinc/15/96/09/1066159609.db2.gz ZHADCJMAVWWUTH-QFBILLFUSA-N 1 0 464.408 3.044 20 0 JGADRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)(F)F)C2)ccn1 ZINC001301364675 1066159968 /nfs/dbraw/zinc/15/99/68/1066159968.db2.gz UZCARISZCSBGSC-DKSSEZFCSA-N 1 0 466.508 3.331 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC001301369879 1066164451 /nfs/dbraw/zinc/16/44/51/1066164451.db2.gz USBSSFHQROJKBK-FQEVSTJZSA-N 1 0 474.968 3.116 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301373643 1066167460 /nfs/dbraw/zinc/16/74/60/1066167460.db2.gz ITZURRFFJZICJU-MZKRTTBSSA-N 1 0 457.619 3.173 20 0 JGADRO 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COCC[N@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001301713288 1066611016 /nfs/dbraw/zinc/61/10/16/1066611016.db2.gz KGWCFGBNYAARAB-DENIHFKCSA-N 1 0 475.659 3.086 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001301713387 1066612469 /nfs/dbraw/zinc/61/24/69/1066612469.db2.gz LBSWGGPKITXPPL-UNMCSNQZSA-N 1 0 489.686 3.333 20 0 JGADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)[N@H+](C)C2CC2)[C@H](C)C1 ZINC001301713650 1066612802 /nfs/dbraw/zinc/61/28/02/1066612802.db2.gz HZYSWBAEVGVVER-KSZLIROESA-N 1 0 458.582 3.097 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001301713727 1066613629 /nfs/dbraw/zinc/61/36/29/1066613629.db2.gz NOHIXCXUHDMARG-HOTGVXAUSA-N 1 0 485.496 3.345 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001301713730 1066613727 /nfs/dbraw/zinc/61/37/27/1066613727.db2.gz NOPRBNREFAKTMX-UHFFFAOYSA-N 1 0 479.025 3.084 20 0 JGADRO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001301714889 1066616724 /nfs/dbraw/zinc/61/67/24/1066616724.db2.gz QIBIYKNYNFVLBP-AUSIDOKSSA-N 1 0 472.609 3.346 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccccn2)CC1 ZINC001301717255 1066619266 /nfs/dbraw/zinc/61/92/66/1066619266.db2.gz PDBFYFAUTYBXDZ-UHFFFAOYSA-N 1 0 470.021 3.288 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCCC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)cc1C ZINC001301717482 1066619449 /nfs/dbraw/zinc/61/94/49/1066619449.db2.gz ZLMOMLVAXVFSFK-UHFFFAOYSA-N 1 0 457.640 3.142 20 0 JGADRO COCC[N@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301718508 1066620888 /nfs/dbraw/zinc/62/08/88/1066620888.db2.gz GPPHBTWQVRHANG-LJQANCHMSA-N 1 0 466.671 3.329 20 0 JGADRO COCCO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001302162318 1066621653 /nfs/dbraw/zinc/62/16/53/1066621653.db2.gz JIUWZFUCBZIIRD-LJQANCHMSA-N 1 0 478.435 3.434 20 0 JGADRO COCC[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001301720190 1066621844 /nfs/dbraw/zinc/62/18/44/1066621844.db2.gz BCPHNVAETINPOT-IBGZPJMESA-N 1 0 492.690 3.344 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001301719745 1066621931 /nfs/dbraw/zinc/62/19/31/1066621931.db2.gz WGTTXAAUEMLBDF-XZOQPEGZSA-N 1 0 457.619 3.108 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001301720180 1066621963 /nfs/dbraw/zinc/62/19/63/1066621963.db2.gz ANYBEKMFHOKZML-FGZHOGPDSA-N 1 0 493.693 3.287 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CC=CCC2)[C@H](C)C1 ZINC001301720810 1066624235 /nfs/dbraw/zinc/62/42/35/1066624235.db2.gz HBJWFWJMXAMQAC-MRXNPFEDSA-N 1 0 491.409 3.166 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC001301720777 1066624317 /nfs/dbraw/zinc/62/43/17/1066624317.db2.gz GDGMFZHPTRAPOS-MWTRTKDXSA-N 1 0 494.612 3.041 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CC=CCC2)[C@@H](C)C1 ZINC001301720809 1066624329 /nfs/dbraw/zinc/62/43/29/1066624329.db2.gz HBJWFWJMXAMQAC-INIZCTEOSA-N 1 0 491.409 3.166 20 0 JGADRO COCC[N@H+](C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001301720745 1066624365 /nfs/dbraw/zinc/62/43/65/1066624365.db2.gz CLIOCYKFFYFBCU-AGQFNQOXSA-N 1 0 478.037 3.247 20 0 JGADRO COCCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001302164987 1066626700 /nfs/dbraw/zinc/62/67/00/1066626700.db2.gz DKIRQMINNSCIHC-VXKWHMMOSA-N 1 0 478.037 3.197 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)[C@@H](C)C1 ZINC001301721534 1066626858 /nfs/dbraw/zinc/62/68/58/1066626858.db2.gz LAGMMRXZZVTYKK-FXAWDEMLSA-N 1 0 493.027 3.032 20 0 JGADRO COCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001301721650 1066627610 /nfs/dbraw/zinc/62/76/10/1066627610.db2.gz MLPLFMDUXBVCDV-UHFFFAOYSA-N 1 0 480.535 3.424 20 0 JGADRO COCC[N@H+](C)CCCn1c(Cc2csc(C)n2)nnc1N1CCC(C)=C(Br)C1 ZINC001301722281 1066630250 /nfs/dbraw/zinc/63/02/50/1066630250.db2.gz PSHQCALEVFFTAS-UHFFFAOYSA-N 1 0 483.480 3.481 20 0 JGADRO COCC[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001301723071 1066631611 /nfs/dbraw/zinc/63/16/11/1066631611.db2.gz VCAWIAIIBPTWOG-DVECYGJZSA-N 1 0 461.582 3.142 20 0 JGADRO COCC[N@H+](C)CCCn1c(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)nnc1C(C)(C)C ZINC001301722846 1066632294 /nfs/dbraw/zinc/63/22/94/1066632294.db2.gz RLTROWCUHXFYNK-FQEVSTJZSA-N 1 0 456.635 3.033 20 0 JGADRO COCCOC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001302167034 1066632344 /nfs/dbraw/zinc/63/23/44/1066632344.db2.gz OEBMBXPELXQNNE-UHFFFAOYSA-N 1 0 492.064 3.466 20 0 JGADRO COCC[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001301723147 1066633499 /nfs/dbraw/zinc/63/34/99/1066633499.db2.gz XDJGFGOMVMYNRB-FGTMMUONSA-N 1 0 451.612 3.466 20 0 JGADRO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001302167579 1066634869 /nfs/dbraw/zinc/63/48/69/1066634869.db2.gz YOFTZRCXTDBWEE-CVEARBPZSA-N 1 0 484.464 3.351 20 0 JGADRO COCCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001302168504 1066636530 /nfs/dbraw/zinc/63/65/30/1066636530.db2.gz DISJLJHAPXVTBR-SFHVURJKSA-N 1 0 481.066 3.063 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001301725071 1066638269 /nfs/dbraw/zinc/63/82/69/1066638269.db2.gz LQBABTSKIXJTFW-IBGZPJMESA-N 1 0 450.587 3.426 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001301725370 1066639499 /nfs/dbraw/zinc/63/94/99/1066639499.db2.gz FENOHXKLNXRUEY-UHFFFAOYSA-N 1 0 475.540 3.191 20 0 JGADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC001302170722 1066640379 /nfs/dbraw/zinc/64/03/79/1066640379.db2.gz DFJGXGKFFVACDU-LJQANCHMSA-N 1 0 456.395 3.467 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001301725719 1066640975 /nfs/dbraw/zinc/64/09/75/1066640975.db2.gz JOGRPCAWGILLJN-DHIUTWEWSA-N 1 0 471.646 3.205 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001301726004 1066641463 /nfs/dbraw/zinc/64/14/63/1066641463.db2.gz MLFFEPXUVUTFPZ-HXUWFJFHSA-N 1 0 451.999 3.047 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CC[N@H+]2CC=CCC2)[C@H](C)C1 ZINC001301725875 1066641581 /nfs/dbraw/zinc/64/15/81/1066641581.db2.gz UAFIMTPJZIWSQA-GOSISDBHSA-N 1 0 487.446 3.335 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001301726010 1066641600 /nfs/dbraw/zinc/64/16/00/1066641600.db2.gz MQOGKRNMUJFFQF-SFHVURJKSA-N 1 0 486.617 3.093 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCO[C@H](C)C1 ZINC001301726131 1066642382 /nfs/dbraw/zinc/64/23/82/1066642382.db2.gz PQBMFCIMXIZPIF-CQSZACIVSA-N 1 0 472.815 3.164 20 0 JGADRO COCCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001302172551 1066642853 /nfs/dbraw/zinc/64/28/53/1066642853.db2.gz RZZQLZBINVPDDT-XZOQPEGZSA-N 1 0 450.587 3.193 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001301726386 1066642928 /nfs/dbraw/zinc/64/29/28/1066642928.db2.gz RNZKWNBFCDLNEP-FQEVSTJZSA-N 1 0 457.619 3.210 20 0 JGADRO C[NH+](C)C[C@H](NC(=O)CCCCn1cnc2c1ncnc2N)c1ccc(Cl)c(Cl)c1 ZINC001302173169 1066644142 /nfs/dbraw/zinc/64/41/42/1066644142.db2.gz VETRGBHCNBSPFZ-INIZCTEOSA-N 1 0 450.374 3.305 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001301727709 1066645655 /nfs/dbraw/zinc/64/56/55/1066645655.db2.gz JUTVWOCBBRZZEO-UHFFFAOYSA-N 1 0 474.009 3.223 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC(Cn2cccn2)CC1 ZINC001301727667 1066645883 /nfs/dbraw/zinc/64/58/83/1066645883.db2.gz JCQSFJJAZGOVBK-UHFFFAOYSA-N 1 0 458.010 3.290 20 0 JGADRO 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20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H]2CCOC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302238881 1066759586 /nfs/dbraw/zinc/75/95/86/1066759586.db2.gz RIZQIUGFTWPWMZ-VABKMULXSA-N 1 0 457.619 3.116 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302239068 1066760055 /nfs/dbraw/zinc/76/00/55/1066760055.db2.gz YESMUKNYAYYDOI-FSJWIPBVSA-N 1 0 475.659 3.342 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001301807596 1066761303 /nfs/dbraw/zinc/76/13/03/1066761303.db2.gz HQUPIMLNNHGRAS-VWEINGBSSA-N 1 0 460.648 3.030 20 0 JGADRO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001301807595 1066761531 /nfs/dbraw/zinc/76/15/31/1066761531.db2.gz HQUPIMLNNHGRAS-RLHVNXBHSA-N 1 0 460.648 3.030 20 0 JGADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccoc1 ZINC001302239759 1066762266 /nfs/dbraw/zinc/76/22/66/1066762266.db2.gz CRRMTQXXBFSZAG-LJQANCHMSA-N 1 0 474.606 3.148 20 0 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CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001301834239 1066801891 /nfs/dbraw/zinc/80/18/91/1066801891.db2.gz WZOIFXDQGDWXMS-SIKLNZKXSA-N 1 0 472.609 3.366 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cscn2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302257852 1066802607 /nfs/dbraw/zinc/80/26/07/1066802607.db2.gz FQOFRLBBWOYSOM-ZJOUEHCJSA-N 1 0 462.664 3.463 20 0 JGADRO CC(=O)NC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001301835832 1066804642 /nfs/dbraw/zinc/80/46/42/1066804642.db2.gz ATHYCSKPRAVPJM-OAHLLOKOSA-N 1 0 493.425 3.436 20 0 JGADRO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCSCC2)CC1 ZINC001301836473 1066806299 /nfs/dbraw/zinc/80/62/99/1066806299.db2.gz LZYHEXMQBLQBLU-KRWDZBQOSA-N 1 0 493.077 3.225 20 0 JGADRO CC(=O)NC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001301836947 1066808452 /nfs/dbraw/zinc/80/84/52/1066808452.db2.gz UUQDTBYTTAIALN-UHFFFAOYSA-N 1 0 462.545 3.136 20 0 JGADRO 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CC(C)(C)OC(=O)NCCCCn1c(N2CC[NH+](C[C@H]3CCOC3)CC2)nnc1C(C)(C)C ZINC001302266715 1066824248 /nfs/dbraw/zinc/82/42/48/1066824248.db2.gz RPDVJIILNQOLDH-LJQANCHMSA-N 1 0 464.655 3.039 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001301853314 1066831283 /nfs/dbraw/zinc/83/12/83/1066831283.db2.gz KJUGUGDXDLTTML-FDDCHVKYSA-N 1 0 477.078 3.388 20 0 JGADRO COCCn1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)cn1 ZINC001301853560 1066831733 /nfs/dbraw/zinc/83/17/33/1066831733.db2.gz LPWFRIGEGCIPDB-UHFFFAOYSA-N 1 0 473.572 3.005 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@@H](C)[NH+](C)C ZINC001302273080 1066832838 /nfs/dbraw/zinc/83/28/38/1066832838.db2.gz JURVMJWJCRTKKC-ALKREAHSSA-N 1 0 464.408 3.235 20 0 JGADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001301854334 1066833442 /nfs/dbraw/zinc/83/34/42/1066833442.db2.gz VJMGMBSGFDTUCT-OAQYLSRUSA-N 1 0 482.032 3.478 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001301855261 1066835352 /nfs/dbraw/zinc/83/53/52/1066835352.db2.gz CIGYQKSBXGTCTB-FQEVSTJZSA-N 1 0 452.647 3.027 20 0 JGADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001301856621 1066837814 /nfs/dbraw/zinc/83/78/14/1066837814.db2.gz GVPYBOUEKZPZCQ-HSZRJFAPSA-N 1 0 461.614 3.133 20 0 JGADRO CC(C)(C)OC(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001302275668 1066840399 /nfs/dbraw/zinc/84/03/99/1066840399.db2.gz UDPNVOTWLIIBDA-UHFFFAOYSA-N 1 0 465.602 3.163 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001302277670 1066845386 /nfs/dbraw/zinc/84/53/86/1066845386.db2.gz JVCDFGKHEFADOE-RLQAPTBRSA-N 1 0 471.646 3.475 20 0 JGADRO COCCN1C[C@@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)C)CC2)CC1=O ZINC001301861735 1066847924 /nfs/dbraw/zinc/84/79/24/1066847924.db2.gz XZYNDFRERLTFEX-GOTSBHOMSA-N 1 0 498.672 3.060 20 0 JGADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C(C)C)cc1 ZINC001302280858 1066848500 /nfs/dbraw/zinc/84/85/00/1066848500.db2.gz HVZRFEKRORWNMK-SFLYRZDNSA-N 1 0 457.640 3.182 20 0 JGADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C(C)C)cc1 ZINC001302280856 1066848573 /nfs/dbraw/zinc/84/85/73/1066848573.db2.gz HVZRFEKRORWNMK-FJIJXJHWSA-N 1 0 457.640 3.182 20 0 JGADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCCCCC2)C1 ZINC001302280843 1066848590 /nfs/dbraw/zinc/84/85/90/1066848590.db2.gz AJHUOEYTPMAYOF-WOJBJXKFSA-N 1 0 462.639 3.152 20 0 JGADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCCCCC2)C1 ZINC001302280841 1066848628 /nfs/dbraw/zinc/84/86/28/1066848628.db2.gz AJHUOEYTPMAYOF-VQTJNVASSA-N 1 0 462.639 3.152 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001301862939 1066850125 /nfs/dbraw/zinc/85/01/25/1066850125.db2.gz DTJZXKVWCAWNMX-AKIFATBCSA-N 1 0 460.667 3.037 20 0 JGADRO COCCN1C[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1=O ZINC001301865047 1066854818 /nfs/dbraw/zinc/85/48/18/1066854818.db2.gz UVRFWQGAZXZVTO-GOTSBHOMSA-N 1 0 482.673 3.072 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@@H](OC)C(C)(C)C ZINC001302285000 1066855720 /nfs/dbraw/zinc/85/57/20/1066855720.db2.gz WXAWSKGWJTWEGE-KJJMTIBFSA-N 1 0 463.667 3.375 20 0 JGADRO CC(C)NS(=O)(=O)c1ccc(C(=O)N2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)cc1 ZINC001301865479 1066856093 /nfs/dbraw/zinc/85/60/93/1066856093.db2.gz HMTKSMBJVCYMTP-JWQCQUIFSA-N 1 0 455.624 3.358 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[C@@H](OC)C(F)(F)F ZINC001302286946 1066859787 /nfs/dbraw/zinc/85/97/87/1066859787.db2.gz OHRPRUUVIALWBM-MANSERQUSA-N 1 0 475.556 3.034 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCC[N@H+](C)C(C)C ZINC001302287240 1066860984 /nfs/dbraw/zinc/86/09/84/1066860984.db2.gz SLMBKLHXHUTLIV-FPOVZHCZSA-N 1 0 494.681 3.226 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+](C)C(C)C)C1 ZINC001301871015 1066863928 /nfs/dbraw/zinc/86/39/28/1066863928.db2.gz CFMSKFXPKIHZHT-QFIPXVFZSA-N 1 0 456.635 3.167 20 0 JGADRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+](C)C(C)C)C1 ZINC001301871014 1066864053 /nfs/dbraw/zinc/86/40/53/1066864053.db2.gz CFMSKFXPKIHZHT-JOCHJYFZSA-N 1 0 456.635 3.167 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001301871628 1066865358 /nfs/dbraw/zinc/86/53/58/1066865358.db2.gz HKQLQWIHWHGRDY-GMAHTHKFSA-N 1 0 468.646 3.311 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)CC1 ZINC001301871661 1066865382 /nfs/dbraw/zinc/86/53/82/1066865382.db2.gz FHGLTAOVXRMEFK-UHFFFAOYSA-N 1 0 495.672 3.376 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3ccc(Cl)nc3C2)n1CC(C)(C)C[NH+](C)C ZINC001302292226 1066871631 /nfs/dbraw/zinc/87/16/31/1066871631.db2.gz MSZJVDSQSHTSLV-PXNSSMCTSA-N 1 0 463.026 3.201 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001301874059 1066874033 /nfs/dbraw/zinc/87/40/33/1066874033.db2.gz FJEPYSCJPAIMLG-VAMGGRTRSA-N 1 0 464.655 3.204 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001302294181 1066875092 /nfs/dbraw/zinc/87/50/92/1066875092.db2.gz XFNCMQCXOAWVCJ-SEDAZVQISA-N 1 0 451.656 3.374 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001301876459 1066878035 /nfs/dbraw/zinc/87/80/35/1066878035.db2.gz WJAWCHIZMRJCJQ-CQSZACIVSA-N 1 0 460.570 3.451 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2CCOCC2)C[C@@H]1C ZINC001301876841 1066878762 /nfs/dbraw/zinc/87/87/62/1066878762.db2.gz IJNLXINEYGPMRV-RBUKOAKNSA-N 1 0 461.582 3.141 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C ZINC001302296779 1066879649 /nfs/dbraw/zinc/87/96/49/1066879649.db2.gz XCMRAAFKMZLNPB-ANULTFPQSA-N 1 0 494.681 3.036 20 0 JGADRO COCCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c(C)cc(C)cc2C)CC1 ZINC001301877925 1066880171 /nfs/dbraw/zinc/88/01/71/1066880171.db2.gz SUDGNRPISJBGME-SANMLTNESA-N 1 0 471.646 3.061 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCc2ccccn2)C[C@H]1C ZINC001301877719 1066880287 /nfs/dbraw/zinc/88/02/87/1066880287.db2.gz QWVCIMHEMDNWHW-WOJBJXKFSA-N 1 0 468.577 3.352 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001301879389 1066883965 /nfs/dbraw/zinc/88/39/65/1066883965.db2.gz DGGAOHAJRFOOGT-OAHLLOKOSA-N 1 0 463.424 3.010 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301880292 1066885364 /nfs/dbraw/zinc/88/53/64/1066885364.db2.gz SPRAWQKWUQUORD-WOJBJXKFSA-N 1 0 467.662 3.449 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301880426 1066885946 /nfs/dbraw/zinc/88/59/46/1066885946.db2.gz VCIYQMJPQHYNSX-SFTDATJTSA-N 1 0 467.662 3.451 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301880425 1066886012 /nfs/dbraw/zinc/88/60/12/1066886012.db2.gz VCIYQMJPQHYNSX-OYRHEFFESA-N 1 0 467.662 3.451 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001301880861 1066887095 /nfs/dbraw/zinc/88/70/95/1066887095.db2.gz WQPWZBIFQHICSP-AZUAARDMSA-N 1 0 456.635 3.338 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]2CSC)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001302302763 1066889304 /nfs/dbraw/zinc/88/93/04/1066889304.db2.gz PLPVRGXRHBHKQL-TUFLPTIASA-N 1 0 451.681 3.454 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCc1cc(F)cc(F)c1 ZINC001302303363 1066890434 /nfs/dbraw/zinc/89/04/34/1066890434.db2.gz DTTMDOOEUQTBNJ-UGKGYDQZSA-N 1 0 463.573 3.444 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001301882874 1066890889 /nfs/dbraw/zinc/89/08/89/1066890889.db2.gz GWCVJDYRIVGGRA-XMMPIXPASA-N 1 0 479.604 3.443 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001301883417 1066891644 /nfs/dbraw/zinc/89/16/44/1066891644.db2.gz WVEKBZYEGLYPHY-AFMDSPMNSA-N 1 0 487.645 3.060 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001302304307 1066892092 /nfs/dbraw/zinc/89/20/92/1066892092.db2.gz VOUDVEHGMGUNML-GMAHTHKFSA-N 1 0 471.646 3.198 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccc(Br)n1 ZINC001302304658 1066892249 /nfs/dbraw/zinc/89/22/49/1066892249.db2.gz YONKODBURPXYEF-PXNSSMCTSA-N 1 0 493.450 3.128 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001301884874 1066893378 /nfs/dbraw/zinc/89/33/78/1066893378.db2.gz FGDXSSAQBHWDOO-KRWDZBQOSA-N 1 0 470.643 3.427 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C)c1c(C)noc1C ZINC001302305392 1066894240 /nfs/dbraw/zinc/89/42/40/1066894240.db2.gz OLBJSPNTKSEKIZ-LRQRDZAKSA-N 1 0 460.623 3.331 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)c1c(C)noc1C ZINC001302305393 1066894306 /nfs/dbraw/zinc/89/43/06/1066894306.db2.gz OLBJSPNTKSEKIZ-PBEJRMEISA-N 1 0 460.623 3.331 20 0 JGADRO CC(C)(C)OCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001302306960 1066897845 /nfs/dbraw/zinc/89/78/45/1066897845.db2.gz FFHPAZCUZISCLX-HXUWFJFHSA-N 1 0 475.659 3.228 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC2CCOCC2)C[C@H]1C ZINC001301886488 1066898016 /nfs/dbraw/zinc/89/80/16/1066898016.db2.gz ADCBNLQPQMBZHF-GOSISDBHSA-N 1 0 463.026 3.357 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)C[C@H]1C ZINC001301886750 1066898279 /nfs/dbraw/zinc/89/82/79/1066898279.db2.gz AJOGFDFYSWXTEG-JOCHJYFZSA-N 1 0 484.689 3.122 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001301886751 1066898486 /nfs/dbraw/zinc/89/84/86/1066898486.db2.gz AJOGFDFYSWXTEG-QFIPXVFZSA-N 1 0 484.689 3.122 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001301887007 1066899189 /nfs/dbraw/zinc/89/91/89/1066899189.db2.gz FWIAREKTGZDQBS-BEFAXECRSA-N 1 0 495.455 3.324 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301887193 1066899569 /nfs/dbraw/zinc/89/95/69/1066899569.db2.gz PEXAXPAJWKCXJX-ZEQRLZLVSA-N 1 0 468.646 3.136 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301887192 1066899672 /nfs/dbraw/zinc/89/96/72/1066899672.db2.gz PEXAXPAJWKCXJX-RPWUZVMVSA-N 1 0 468.646 3.136 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301887191 1066899812 /nfs/dbraw/zinc/89/98/12/1066899812.db2.gz PEXAXPAJWKCXJX-DNQXCXABSA-N 1 0 468.646 3.136 20 0 JGADRO CC(C)(C)OCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001302308432 1066900276 /nfs/dbraw/zinc/90/02/76/1066900276.db2.gz DEIJJVUSDOQLOX-SFHVURJKSA-N 1 0 477.572 3.426 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)C)CC2)n1CCc1ccc(C)c(OC)c1 ZINC001302308713 1066900649 /nfs/dbraw/zinc/90/06/49/1066900649.db2.gz NYUNVIIVKWONBI-GMAHTHKFSA-N 1 0 457.619 3.092 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C(C)(C)C)no2)C[C@@H]1C ZINC001301887808 1066901366 /nfs/dbraw/zinc/90/13/66/1066901366.db2.gz LMMRQEGXBXTFAB-INIZCTEOSA-N 1 0 474.009 3.484 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCCCC2)C[C@@H]1C ZINC001301888110 1066902441 /nfs/dbraw/zinc/90/24/41/1066902441.db2.gz MEUVVPNOMNKDMZ-SFHVURJKSA-N 1 0 478.037 3.459 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301888343 1066903685 /nfs/dbraw/zinc/90/36/85/1066903685.db2.gz MQCWLWZWYDLEJK-ROUUACIJSA-N 1 0 476.622 3.259 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccc(OC)cc2OC)C[C@@H]1C ZINC001301888392 1066903797 /nfs/dbraw/zinc/90/37/97/1066903797.db2.gz NRSKKGQIOCGZFW-SFHVURJKSA-N 1 0 469.586 3.263 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(C)CCOCC1 ZINC001302311024 1066904771 /nfs/dbraw/zinc/90/47/71/1066904771.db2.gz GEBJGIFYDFPIRL-SFTDATJTSA-N 1 0 463.667 3.377 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCCc1c[nH]nc1C ZINC001302311547 1066905160 /nfs/dbraw/zinc/90/51/60/1066905160.db2.gz MVPUYKUQCBWJGC-VXKWHMMOSA-N 1 0 473.666 3.225 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CCOC[C@H]2C)C[C@H]1C ZINC001301889021 1066905552 /nfs/dbraw/zinc/90/55/52/1066905552.db2.gz UUMNQTRXEKAQLY-QRVBRYPASA-N 1 0 478.037 3.437 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CC=CCO2)C[C@@H]1C ZINC001301889229 1066906611 /nfs/dbraw/zinc/90/66/11/1066906611.db2.gz XSJATPZAJCTYAS-UNMCSNQZSA-N 1 0 485.629 3.243 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001301889477 1066907752 /nfs/dbraw/zinc/90/77/52/1066907752.db2.gz ZSJFTHXHHGDNJU-SFHVURJKSA-N 1 0 476.622 3.260 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@@](C)(O)C(C)C)C[C@@H]1C ZINC001301889816 1066909078 /nfs/dbraw/zinc/90/90/78/1066909078.db2.gz CZIKEZOFGHFCSK-UQBPGWFLSA-N 1 0 452.603 3.057 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001301890077 1066909519 /nfs/dbraw/zinc/90/95/19/1066909519.db2.gz GHKNUBVGDZIUHG-HXUWFJFHSA-N 1 0 468.646 3.309 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1C[C@H](C)[NH+](C)C ZINC001302314498 1066910631 /nfs/dbraw/zinc/91/06/31/1066910631.db2.gz IHIBBOWJCGKBNI-YRLHULLVSA-N 1 0 495.571 3.132 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001301890872 1066910665 /nfs/dbraw/zinc/91/06/65/1066910665.db2.gz OFGXKDYWUQJMBE-LJQANCHMSA-N 1 0 470.662 3.457 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCOC[C@H]2C)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302314981 1066911439 /nfs/dbraw/zinc/91/14/39/1066911439.db2.gz OBEDGAHYRNGHEH-OIBXWCBGSA-N 1 0 457.619 3.116 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301891683 1066912637 /nfs/dbraw/zinc/91/26/37/1066912637.db2.gz XEWROPQOIKRPOU-SFTDATJTSA-N 1 0 481.689 3.373 20 0 JGADRO CC(=O)NC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CCO1 ZINC001301894284 1066915475 /nfs/dbraw/zinc/91/54/75/1066915475.db2.gz YAAYLSAISCKDSX-DHIUTWEWSA-N 1 0 468.646 3.062 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@H](C)[C@H]2C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302319835 1066916176 /nfs/dbraw/zinc/91/61/76/1066916176.db2.gz DMCNITGJNOEJBF-UBBRYJJRSA-N 1 0 459.660 3.442 20 0 JGADRO CC(C)(C)[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302320377 1066917822 /nfs/dbraw/zinc/91/78/22/1066917822.db2.gz DLLMIPHBGBUVPV-MGBGTMOVSA-N 1 0 495.093 3.089 20 0 JGADRO COC[C@H]1[C@@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CC[N@H+](C)C(C)C)CC[C@H]12 ZINC001302320767 1066918730 /nfs/dbraw/zinc/91/87/30/1066918730.db2.gz AIWNLBNAMYDADJ-GVDBMIGSSA-N 1 0 451.413 3.095 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)Oc2cccc(F)c2)C[C@H]1C ZINC001301896390 1066919389 /nfs/dbraw/zinc/91/93/89/1066919389.db2.gz SGGFLPDRQCZVJO-RTBURBONSA-N 1 0 456.566 3.047 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC(C)(C)C)nc2)C[C@@H]1C ZINC001301896549 1066919964 /nfs/dbraw/zinc/91/99/64/1066919964.db2.gz UOXYLCMIEOEFKH-IBGZPJMESA-N 1 0 465.602 3.118 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001301896527 1066920070 /nfs/dbraw/zinc/92/00/70/1066920070.db2.gz UAGUDSKOAPVVJP-FQEVSTJZSA-N 1 0 452.603 3.000 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001301897442 1066921213 /nfs/dbraw/zinc/92/12/13/1066921213.db2.gz WOZRNAJKWIKMJI-FQEVSTJZSA-N 1 0 472.609 3.034 20 0 JGADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001301897911 1066921782 /nfs/dbraw/zinc/92/17/82/1066921782.db2.gz AETODMFWUVUORW-FXAWDEMLSA-N 1 0 493.027 3.199 20 0 JGADRO 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COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(F)cc(OC)c2)C[C@H]1C ZINC001301900462 1066925722 /nfs/dbraw/zinc/92/57/22/1066925722.db2.gz LYBBGLXMWPXBID-GOSISDBHSA-N 1 0 454.550 3.001 20 0 JGADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCCC2)CCO1 ZINC001301900954 1066926077 /nfs/dbraw/zinc/92/60/77/1066926077.db2.gz NZMVBMKWYWQBSW-HSZRJFAPSA-N 1 0 468.646 3.070 20 0 JGADRO CC(=O)NC[C@H]1CN(c2nnc(C3CCCC3)n2CC2CC[NH+](CCC(C)C)CC2)CCO1 ZINC001301901832 1066926942 /nfs/dbraw/zinc/92/69/42/1066926942.db2.gz UZOFVQZZKCGKRB-QHCPKHFHSA-N 1 0 460.667 3.035 20 0 JGADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001301902834 1066928188 /nfs/dbraw/zinc/92/81/88/1066928188.db2.gz UYZLEVJCPBJIQR-QFIPXVFZSA-N 1 0 468.646 3.068 20 0 JGADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001301904885 1066930334 /nfs/dbraw/zinc/93/03/34/1066930334.db2.gz WWVWTCOCWIVYTH-FXAWDEMLSA-N 1 0 489.045 3.304 20 0 JGADRO 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CC(C)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCCC1 ZINC001302336874 1066936277 /nfs/dbraw/zinc/93/62/77/1066936277.db2.gz WTXXOFAGCXMWGJ-UHFFFAOYSA-N 1 0 470.014 3.237 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cc(C)ccc2OC)C[C@@H]1C ZINC001301911617 1066937252 /nfs/dbraw/zinc/93/72/52/1066937252.db2.gz IEDQHIVKSYMEQJ-NZQKXSOJSA-N 1 0 457.619 3.236 20 0 JGADRO CC(C)(Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1)C[NH+]1CCCC1 ZINC001302345281 1066942542 /nfs/dbraw/zinc/94/25/42/1066942542.db2.gz OGSBVRIZXMAPPS-UHFFFAOYSA-N 1 0 486.505 3.460 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(CC(C)C)n2Cc2cccnc2OC2CCCC2)C[C@H]1C ZINC001301913655 1066942755 /nfs/dbraw/zinc/94/27/55/1066942755.db2.gz WPPMQGMPOJDVAM-HXUWFJFHSA-N 1 0 456.635 3.398 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Oc2cccc(C)c2)C[C@H]1C ZINC001301914421 1066943727 /nfs/dbraw/zinc/94/37/27/1066943727.db2.gz POMQBMCNSHEMJC-XPNTWCBSSA-N 1 0 457.619 3.453 20 0 JGADRO 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DDDOLZNRYPFEBW-MRXNPFEDSA-N 1 0 465.440 3.125 20 0 JGADRO CC(C)C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001302444323 1067042582 /nfs/dbraw/zinc/04/25/82/1067042582.db2.gz RAGCRGYHTXIMMR-UPVQGACJSA-N 1 0 482.673 3.435 20 0 JGADRO CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001302444318 1067042816 /nfs/dbraw/zinc/04/28/16/1067042816.db2.gz RAGCRGYHTXIMMR-ISKFKSNPSA-N 1 0 482.673 3.435 20 0 JGADRO CC(C)C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001302445199 1067043910 /nfs/dbraw/zinc/04/39/10/1067043910.db2.gz XNIAOTLOSCWQCT-QFIPXVFZSA-N 1 0 460.667 3.037 20 0 JGADRO CS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001302446343 1067045129 /nfs/dbraw/zinc/04/51/29/1067045129.db2.gz RFNCNGAAUVTWBL-OAQYLSRUSA-N 1 0 451.681 3.290 20 0 JGADRO CS(=O)(=O)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001302450814 1067051437 /nfs/dbraw/zinc/05/14/37/1067051437.db2.gz WEVXZUYHHRJDHO-IBGZPJMESA-N 1 0 496.475 3.207 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)C2CCCCC2)c1C ZINC001304011436 1067053961 /nfs/dbraw/zinc/05/39/61/1067053961.db2.gz RUPZLBWPVOZLBP-UHFFFAOYSA-N 1 0 495.672 3.470 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)c1C ZINC001304012796 1067056402 /nfs/dbraw/zinc/05/64/02/1067056402.db2.gz HGRQDDHAKMPZAK-IBGZPJMESA-N 1 0 456.635 3.137 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC001304012880 1067056597 /nfs/dbraw/zinc/05/65/97/1067056597.db2.gz ICPMQJIFEAMCEO-DHIUTWEWSA-N 1 0 498.672 3.221 20 0 JGADRO CS(=O)(=O)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001302455540 1067057118 /nfs/dbraw/zinc/05/71/18/1067057118.db2.gz DCNYVWNAPUUAPZ-LJQANCHMSA-N 1 0 452.024 3.098 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001304014448 1067058009 /nfs/dbraw/zinc/05/80/09/1067058009.db2.gz SIZNLAOXGGHNHS-FQEVSTJZSA-N 1 0 461.614 3.440 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302456545 1067058547 /nfs/dbraw/zinc/05/85/47/1067058547.db2.gz XEPYNGSXUMJJJE-RUZDIDTESA-N 1 0 497.669 3.246 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@]2([NH+](C)C)CCSC2)c1C ZINC001304015449 1067058827 /nfs/dbraw/zinc/05/88/27/1067058827.db2.gz YVVXGBOUDWXPTD-AREMUKBSSA-N 1 0 493.681 3.393 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2C[C@@]2([NH+](C)C)CCSC2)c1C ZINC001304015450 1067058867 /nfs/dbraw/zinc/05/88/67/1067058867.db2.gz YVVXGBOUDWXPTD-SANMLTNESA-N 1 0 493.681 3.393 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001302457712 1067060337 /nfs/dbraw/zinc/06/03/37/1067060337.db2.gz BAOFXPYHTWGTCV-SFTDATJTSA-N 1 0 472.634 3.201 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1CC[NH+](C2CC2)CC1 ZINC001302458514 1067061408 /nfs/dbraw/zinc/06/14/08/1067061408.db2.gz CVQVAGOGSDWDSH-FGZHOGPDSA-N 1 0 474.694 3.280 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304018595 1067062454 /nfs/dbraw/zinc/06/24/54/1067062454.db2.gz FOLCYASDMRAGCH-UNIVCBNLSA-N 1 0 470.662 3.286 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302459684 1067062628 /nfs/dbraw/zinc/06/26/28/1067062628.db2.gz QBIVQBMZAOOVCX-QHCPKHFHSA-N 1 0 468.646 3.025 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302459683 1067062826 /nfs/dbraw/zinc/06/28/26/1067062826.db2.gz QBIVQBMZAOOVCX-HSZRJFAPSA-N 1 0 468.646 3.025 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1C ZINC001304020311 1067064395 /nfs/dbraw/zinc/06/43/95/1067064395.db2.gz SQRFKFIIALMMNH-SVFBPWRDSA-N 1 0 454.619 3.186 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC(C)(C)O)c1C ZINC001304024039 1067069343 /nfs/dbraw/zinc/06/93/43/1067069343.db2.gz ACEVUXBVSHHBHD-VXKWHMMOSA-N 1 0 471.646 3.354 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CO)CC3)n2CC2([NH+](C)C)CCOCC2)c1C ZINC001304024547 1067069896 /nfs/dbraw/zinc/06/98/96/1067069896.db2.gz SJINMQNXTIODBP-NRFANRHFSA-N 1 0 471.646 3.354 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(=O)NCC(F)(F)F)c1C ZINC001304025152 1067070615 /nfs/dbraw/zinc/07/06/15/1067070615.db2.gz GOLIQJIESSKCHK-GOSISDBHSA-N 1 0 482.551 3.244 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2cnnn2C)c1C ZINC001304025290 1067070711 /nfs/dbraw/zinc/07/07/11/1067070711.db2.gz VAYLMXCQYWYYMM-LJQANCHMSA-N 1 0 452.607 3.179 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCS(C)(=O)=O)c1C ZINC001304025989 1067072701 /nfs/dbraw/zinc/07/27/01/1067072701.db2.gz KOLZEZNWAOLXRG-SFTDATJTSA-N 1 0 475.659 3.144 20 0 JGADRO CC(C)C(=O)NCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H]1C(C)C ZINC001302471300 1067075504 /nfs/dbraw/zinc/07/55/04/1067075504.db2.gz QRMADQWXOIBKNU-DEOSSOPVSA-N 1 0 481.689 3.040 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304028520 1067075647 /nfs/dbraw/zinc/07/56/47/1067075647.db2.gz GHWWQJMAGRDUDG-CTNGQTDRSA-N 1 0 456.635 3.290 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001304028429 1067075706 /nfs/dbraw/zinc/07/57/06/1067075706.db2.gz FNIRQFHOFJHTNI-VXKWHMMOSA-N 1 0 468.646 3.482 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC001304030908 1067078944 /nfs/dbraw/zinc/07/89/44/1067078944.db2.gz RCFRZMMTGBQVCK-FCHUYYIVSA-N 1 0 468.646 3.339 20 0 JGADRO CC1=C(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001304038870 1067083735 /nfs/dbraw/zinc/08/37/35/1067083735.db2.gz KYHYUTLJCQXNRT-JOCHJYFZSA-N 1 0 487.670 3.106 20 0 JGADRO Cc1nc(CN2CCN(c3nnc(-c4ccc[nH]4)n3CC[NH+](C(C)C)C(C)C)CC2)oc1C ZINC001304041572 1067084812 /nfs/dbraw/zinc/08/48/12/1067084812.db2.gz LDFQPZBLQUBTLZ-UHFFFAOYSA-N 1 0 454.623 3.319 20 0 JGADRO Cc1nc(CCn2c(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)sc1C ZINC001304048760 1067091493 /nfs/dbraw/zinc/09/14/93/1067091493.db2.gz BGPAHELAHXWCCA-OAQYLSRUSA-N 1 0 489.734 3.123 20 0 JGADRO CC[NH+]1CCN(C2CN(C(=O)[C@H](Oc3cccc(Br)c3)c3ccccc3)C2)CC1 ZINC001304054079 1067094554 /nfs/dbraw/zinc/09/45/54/1067094554.db2.gz CWOOAKIHHRISSO-JOCHJYFZSA-N 1 0 458.400 3.418 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)CCC(F)F)n1CCC[NH+]1CCCC1 ZINC001304057318 1067097549 /nfs/dbraw/zinc/09/75/49/1067097549.db2.gz NCXUOBFASDHYNS-UHFFFAOYSA-N 1 0 469.606 3.124 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCCOC(C)C ZINC001304057435 1067098177 /nfs/dbraw/zinc/09/81/77/1067098177.db2.gz QTFRDSONCZSEAT-UHFFFAOYSA-N 1 0 491.706 3.329 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001304057506 1067098604 /nfs/dbraw/zinc/09/86/04/1067098604.db2.gz SYVZPERCISMSTD-KRWDZBQOSA-N 1 0 461.680 3.369 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001302506779 1067109862 /nfs/dbraw/zinc/10/98/62/1067109862.db2.gz ZQTLKSLHCRAYFB-AREMUKBSSA-N 1 0 496.681 3.389 20 0 JGADRO Cc1ncsc1CCn1c(C2CC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304069910 1067114446 /nfs/dbraw/zinc/11/44/46/1067114446.db2.gz DPNOWIMODGNZDK-UHFFFAOYSA-N 1 0 458.554 3.254 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001302509842 1067116709 /nfs/dbraw/zinc/11/67/09/1067116709.db2.gz HRAYSIFYPQNDMA-NRFANRHFSA-N 1 0 489.753 3.270 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001304073685 1067118183 /nfs/dbraw/zinc/11/81/83/1067118183.db2.gz GAUFCDTXUCNYCL-SFHVURJKSA-N 1 0 459.595 3.260 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001302512483 1067124945 /nfs/dbraw/zinc/12/49/45/1067124945.db2.gz CSPMSXGLYWUOPN-UXHICEINSA-N 1 0 466.051 3.342 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC001302513100 1067126908 /nfs/dbraw/zinc/12/69/08/1067126908.db2.gz IEUVSCSNUAFTOO-AEFFLSMTSA-N 1 0 483.480 3.334 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001302513971 1067128690 /nfs/dbraw/zinc/12/86/90/1067128690.db2.gz NFJWETXPJFFYNO-OAQYLSRUSA-N 1 0 470.643 3.095 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@H]1C)[NH+]1CCOCC1 ZINC001302514129 1067130103 /nfs/dbraw/zinc/13/01/03/1067130103.db2.gz OBTMUMUMYNSOJX-VQIMIIECSA-N 1 0 497.507 3.345 20 0 JGADRO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC001302514546 1067131403 /nfs/dbraw/zinc/13/14/03/1067131403.db2.gz QZRIDEJOBUVDKU-WOJBJXKFSA-N 1 0 469.634 3.297 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+]1CCCC1 ZINC001302514744 1067131842 /nfs/dbraw/zinc/13/18/42/1067131842.db2.gz SACIXXFUEWHVAV-ZRCGQRJVSA-N 1 0 488.702 3.408 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H](C)CC(N)=O)[NH+]1CCOCC1 ZINC001302514924 1067132266 /nfs/dbraw/zinc/13/22/66/1067132266.db2.gz UBZVSVPWOBVMSA-DNVCBOLYSA-N 1 0 483.444 3.309 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001302515231 1067132772 /nfs/dbraw/zinc/13/27/72/1067132772.db2.gz WHTMXIYKHRWTLS-BXWFABGCSA-N 1 0 465.440 3.485 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302515010 1067132798 /nfs/dbraw/zinc/13/27/98/1067132798.db2.gz HXLKCNRAKUYNON-FPOVZHCZSA-N 1 0 486.665 3.245 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001302515008 1067132843 /nfs/dbraw/zinc/13/28/43/1067132843.db2.gz HXLKCNRAKUYNON-CTNGQTDRSA-N 1 0 486.665 3.245 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001302515278 1067133412 /nfs/dbraw/zinc/13/34/12/1067133412.db2.gz WRWLDYJGUSMCLS-SFHVURJKSA-N 1 0 495.853 3.418 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001302515235 1067133485 /nfs/dbraw/zinc/13/34/85/1067133485.db2.gz WHTMXIYKHRWTLS-JTDSTZFVSA-N 1 0 465.440 3.485 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001302515628 1067133832 /nfs/dbraw/zinc/13/38/32/1067133832.db2.gz ZPRPGOYZOGLVKP-MOPGFXCFSA-N 1 0 481.066 3.127 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cnn1C ZINC001304091353 1067133994 /nfs/dbraw/zinc/13/39/94/1067133994.db2.gz BLUPUECOVXIBPQ-JOCHJYFZSA-N 1 0 450.635 3.310 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001302515934 1067135126 /nfs/dbraw/zinc/13/51/26/1067135126.db2.gz OQZVPBMPHSECPW-RTWAWAEBSA-N 1 0 486.665 3.293 20 0 JGADRO Cc1c(CN(C)c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1C ZINC001304092150 1067135679 /nfs/dbraw/zinc/13/56/79/1067135679.db2.gz RHUJCLYEHKCBGR-IBGZPJMESA-N 1 0 469.609 3.187 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302518292 1067137967 /nfs/dbraw/zinc/13/79/67/1067137967.db2.gz FMNOSJCAUKBPTG-IFMALSPDSA-N 1 0 499.660 3.190 20 0 JGADRO Cc1occc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304097239 1067138319 /nfs/dbraw/zinc/13/83/19/1067138319.db2.gz JSYVJWILYLWWHR-HDICACEKSA-N 1 0 486.642 3.307 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccccc2Cl)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCC1 ZINC001302519549 1067139557 /nfs/dbraw/zinc/13/95/57/1067139557.db2.gz PYYQSXMHKZHGFP-NRFANRHFSA-N 1 0 475.037 3.190 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001302519383 1067139685 /nfs/dbraw/zinc/13/96/85/1067139685.db2.gz NEAZLDNFPGRPNT-HBFSDRIKSA-N 1 0 457.623 3.495 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1)[NH+]1CCCC1 ZINC001302522909 1067142802 /nfs/dbraw/zinc/14/28/02/1067142802.db2.gz GQAKJWIQHRPJAG-VQTJNVASSA-N 1 0 462.639 3.306 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCCC1 ZINC001302523407 1067143996 /nfs/dbraw/zinc/14/39/96/1067143996.db2.gz JNNUFBNJKIFZPN-LAUBAEHRSA-N 1 0 476.572 3.256 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302523940 1067145155 /nfs/dbraw/zinc/14/51/55/1067145155.db2.gz MGDROEXYNSBCCH-UXHICEINSA-N 1 0 464.655 3.252 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302524292 1067146131 /nfs/dbraw/zinc/14/61/31/1067146131.db2.gz FGRRWZBGGWSDFS-FPOVZHCZSA-N 1 0 479.595 3.457 20 0 JGADRO CSC(C)(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001302525073 1067146530 /nfs/dbraw/zinc/14/65/30/1067146530.db2.gz ANEFTCFATCQADJ-QYZOEREBSA-N 1 0 494.706 3.401 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCCC1 ZINC001302527540 1067154097 /nfs/dbraw/zinc/15/40/97/1067154097.db2.gz YIISHQKXVGREIA-PXNSSMCTSA-N 1 0 499.603 3.354 20 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CC(C)(C)OC(=O)NC1(CC(=O)NC2(c3ncon3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001304124773 1067163938 /nfs/dbraw/zinc/16/39/38/1067163938.db2.gz UTRCYLORTUCKPY-UHFFFAOYSA-N 1 0 455.559 3.125 20 0 JGADRO Cc1c(Cn2c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)cnn1CC(C)C ZINC001304125928 1067164664 /nfs/dbraw/zinc/16/46/64/1067164664.db2.gz KFMOTTYRUNPAHT-NRFANRHFSA-N 1 0 457.667 3.333 20 0 JGADRO CS[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001302540933 1067172492 /nfs/dbraw/zinc/17/24/92/1067172492.db2.gz LEEYTLUWHYKAEH-LJQANCHMSA-N 1 0 487.674 3.006 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[NH+]1CCCC1 ZINC001304137901 1067177653 /nfs/dbraw/zinc/17/76/53/1067177653.db2.gz GSUFYFZWNMUICD-MHECFPHRSA-N 1 0 475.037 3.486 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304138480 1067178749 /nfs/dbraw/zinc/17/87/49/1067178749.db2.gz FUFQEVVVJDAVSO-UUOWRZLLSA-N 1 0 488.036 3.125 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001304139892 1067180510 /nfs/dbraw/zinc/18/05/10/1067180510.db2.gz PIXOCCMJFZJHHH-SBHAEUEKSA-N 1 0 477.053 3.159 20 0 JGADRO CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001302560287 1067201286 /nfs/dbraw/zinc/20/12/86/1067201286.db2.gz CVLZBQSLXJURNY-QGZVFWFLSA-N 1 0 465.614 3.447 20 0 JGADRO CC(C)c1nnc([C@@H]2CN(c3nnc(Cc4ccccc4F)n3CC[N@@H+](C)C(C)C)CCO2)o1 ZINC001302561759 1067201758 /nfs/dbraw/zinc/20/17/58/1067201758.db2.gz IOFOLCGQOASUJJ-FQEVSTJZSA-N 1 0 471.581 3.433 20 0 JGADRO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001302564401 1067203773 /nfs/dbraw/zinc/20/37/73/1067203773.db2.gz YNYTUXYVGVDFQR-LPHOPBHVSA-N 1 0 460.604 3.142 20 0 JGADRO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001302564309 1067203958 /nfs/dbraw/zinc/20/39/58/1067203958.db2.gz XMJWTMRDEVUVMW-NQIIRXRSSA-N 1 0 462.664 3.367 20 0 JGADRO CS[C@@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302566527 1067205745 /nfs/dbraw/zinc/20/57/45/1067205745.db2.gz GJHVIWZTMLOHGL-FQEVSTJZSA-N 1 0 459.660 3.200 20 0 JGADRO CS[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001302570292 1067209786 /nfs/dbraw/zinc/20/97/86/1067209786.db2.gz SOODWDVXPXGTGX-SFHVURJKSA-N 1 0 477.748 3.380 20 0 JGADRO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302570351 1067209813 /nfs/dbraw/zinc/20/98/13/1067209813.db2.gz BAUQQLBGPAZULL-OAQYLSRUSA-N 1 0 490.718 3.208 20 0 JGADRO CS[C@H](C)Cn1c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001302570959 1067210126 /nfs/dbraw/zinc/21/01/26/1067210126.db2.gz UGYQYCHLKWPMKB-WTEVXDJOSA-N 1 0 494.750 3.065 20 0 JGADRO Cc1cc(C)c(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C2CC2)[NH+](C)C)c(C)c1 ZINC001304163945 1067210819 /nfs/dbraw/zinc/21/08/19/1067210819.db2.gz KRPUAAIKXJHEIT-NHCUHLMSSA-N 1 0 454.619 3.122 20 0 JGADRO 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CC(C)c1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302584317 1067222899 /nfs/dbraw/zinc/22/28/99/1067222899.db2.gz CVDYJCLPSRHZNQ-FCHUYYIVSA-N 1 0 459.660 3.185 20 0 JGADRO CC(C)c1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302584323 1067223309 /nfs/dbraw/zinc/22/33/09/1067223309.db2.gz CVDYJCLPSRHZNQ-YADHBBJMSA-N 1 0 459.660 3.185 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001304175585 1067224625 /nfs/dbraw/zinc/22/46/25/1067224625.db2.gz VSNDEGLIGZMYFD-QFIPXVFZSA-N 1 0 466.413 3.440 20 0 JGADRO CS[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C ZINC001302587808 1067224802 /nfs/dbraw/zinc/22/48/02/1067224802.db2.gz GBKWYLJEJQOMRN-PZJWPPBQSA-N 1 0 458.676 3.200 20 0 JGADRO CSC1(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)c2ccccc2)CC[NH+](C)CC1 ZINC001302590756 1067228083 /nfs/dbraw/zinc/22/80/83/1067228083.db2.gz KRARQZJMMJAUGC-IBGZPJMESA-N 1 0 458.676 3.484 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]4OCC[C@@H]4C3)n2CCOCC[NH+](C)C)c1 ZINC001304178962 1067228268 /nfs/dbraw/zinc/22/82/68/1067228268.db2.gz OVMYLGBHTLOPLN-GGAORHGYSA-N 1 0 457.619 3.057 20 0 JGADRO CSC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H]2C(C)C)CC[NH+](C)CC1 ZINC001302591066 1067228442 /nfs/dbraw/zinc/22/84/42/1067228442.db2.gz BEZAQCRLYNCEBD-SFHVURJKSA-N 1 0 457.648 3.378 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC(=O)NC(C)C)c1 ZINC001304179845 1067229262 /nfs/dbraw/zinc/22/92/62/1067229262.db2.gz ZHKIIPHFHHQZON-UHFFFAOYSA-N 1 0 456.635 3.309 20 0 JGADRO CC(C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302593271 1067231630 /nfs/dbraw/zinc/23/16/30/1067231630.db2.gz MAPWBLAZTIPELW-DEOSSOPVSA-N 1 0 484.689 3.240 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304183236 1067233949 /nfs/dbraw/zinc/23/39/49/1067233949.db2.gz WHHIDWBQYZLYIC-RTWAWAEBSA-N 1 0 456.635 3.117 20 0 JGADRO CSC1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H]2CCCO2)CC[NH+](C)CC1 ZINC001302597632 1067234388 /nfs/dbraw/zinc/23/43/88/1067234388.db2.gz MXTNEIOPWALBPG-QGZVFWFLSA-N 1 0 497.507 3.489 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCNC(=O)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001304183640 1067234477 /nfs/dbraw/zinc/23/44/77/1067234477.db2.gz XNKZMJWSHPGKBP-FGZHOGPDSA-N 1 0 468.646 3.168 20 0 JGADRO CSC1(Cn2c(C)nnc2N2CCC(NC(=O)c3cc(C)oc3C)CC2)CC[NH+](C)CC1 ZINC001302598252 1067234801 /nfs/dbraw/zinc/23/48/01/1067234801.db2.gz SBWMCHRQSSGUHD-UHFFFAOYSA-N 1 0 460.648 3.023 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCNC(=O)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001304183642 1067234829 /nfs/dbraw/zinc/23/48/29/1067234829.db2.gz XNKZMJWSHPGKBP-VXKWHMMOSA-N 1 0 468.646 3.168 20 0 JGADRO CSC1(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)NC(C)(C)C)CC[NH+](C)CC1 ZINC001302600282 1067237025 /nfs/dbraw/zinc/23/70/25/1067237025.db2.gz KSGWXFLFPPRZND-UHFFFAOYSA-N 1 0 480.082 3.172 20 0 JGADRO CC(C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)CC[N@@H+]1C ZINC001302600988 1067237344 /nfs/dbraw/zinc/23/73/44/1067237344.db2.gz QXQFLVIQTJOBQE-UZUQRXQVSA-N 1 0 459.587 3.378 20 0 JGADRO CSC1(Cn2c(-c3ccccc3C)nnc2N2CCC(CC(N)=O)CC2)CC[NH+](C)CC1 ZINC001302601080 1067237495 /nfs/dbraw/zinc/23/74/95/1067237495.db2.gz UHPNMVVIIKNWOE-UHFFFAOYSA-N 1 0 456.660 3.173 20 0 JGADRO CSC1(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC(N)=O)CC[NH+](C)CC1 ZINC001302601552 1067238318 /nfs/dbraw/zinc/23/83/18/1067238318.db2.gz QSJYAJIKKWEXHY-IRXDYDNUSA-N 1 0 478.638 3.085 20 0 JGADRO CC(C)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302606423 1067240884 /nfs/dbraw/zinc/24/08/84/1067240884.db2.gz CPKZSSVNOMNNIY-FYYLOGMGSA-N 1 0 468.646 3.128 20 0 JGADRO Cc1cc(C)nc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC001304192032 1067242612 /nfs/dbraw/zinc/24/26/12/1067242612.db2.gz WSBIHZHSWDNYGP-UHFFFAOYSA-N 1 0 462.646 3.441 20 0 JGADRO CSC1(Cn2c(-c3cnn(C)c3)nnc2N(C)CCOc2ccc(C)cc2)CC[NH+](C)CC1 ZINC001302609109 1067243163 /nfs/dbraw/zinc/24/31/63/1067243163.db2.gz UZNVHNLMWHOOKN-UHFFFAOYSA-N 1 0 469.659 3.330 20 0 JGADRO CSC1(Cn2c(-c3cnccn3)nnc2N(C)CCOc2ccc(F)cc2)CC[NH+](C)CC1 ZINC001302609302 1067243225 /nfs/dbraw/zinc/24/32/25/1067243225.db2.gz YDSDHQGSYHQKGO-UHFFFAOYSA-N 1 0 471.606 3.217 20 0 JGADRO CSC1(Cn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccc(F)cc2)CC[NH+](C)CC1 ZINC001302611207 1067244971 /nfs/dbraw/zinc/24/49/71/1067244971.db2.gz FQAPZXQGKKXBIV-GOSISDBHSA-N 1 0 463.623 3.264 20 0 JGADRO Cc1cc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2n1 ZINC001304195784 1067245508 /nfs/dbraw/zinc/24/55/08/1067245508.db2.gz GUWJBUJZIVESFM-KRWDZBQOSA-N 1 0 461.536 3.436 20 0 JGADRO CSC1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001302612555 1067246012 /nfs/dbraw/zinc/24/60/12/1067246012.db2.gz MJPXJQWZZAEYEB-MOPGFXCFSA-N 1 0 494.706 3.055 20 0 JGADRO CSC1(Cn2c([C@H]3CCCCO3)nnc2N(C)CC2COC(C)(C)OC2)CC[NH+](C)CC1 ZINC001302612815 1067246354 /nfs/dbraw/zinc/24/63/54/1067246354.db2.gz QRNKVAJWBVDABI-LJQANCHMSA-N 1 0 467.680 3.182 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001302613357 1067246796 /nfs/dbraw/zinc/24/67/96/1067246796.db2.gz BXZOHDJDHZPBIQ-UHFFFAOYSA-N 1 0 460.667 3.179 20 0 JGADRO Cc1cc(CN(C)c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)no1 ZINC001304199236 1067249645 /nfs/dbraw/zinc/24/96/45/1067249645.db2.gz VMZHUSUJXXPMKM-UHFFFAOYSA-N 1 0 463.380 3.219 20 0 JGADRO CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001302616499 1067249926 /nfs/dbraw/zinc/24/99/26/1067249926.db2.gz DUWKLIOPYQYETP-NQIIRXRSSA-N 1 0 481.645 3.298 20 0 JGADRO CC(C)c1nnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1CCOCC[NH+](C)C ZINC001302616014 1067249991 /nfs/dbraw/zinc/24/99/91/1067249991.db2.gz WSUJDFOTWCXAPE-SFHVURJKSA-N 1 0 452.644 3.109 20 0 JGADRO Cc1cc(CN(C)c2nnc(-c3ccc(F)cc3Br)n2CCOCC[NH+](C)C)no1 ZINC001304201622 1067249977 /nfs/dbraw/zinc/24/99/77/1067249977.db2.gz BWJYPEQKUOWZOS-UHFFFAOYSA-N 1 0 481.370 3.358 20 0 JGADRO CSC1(Cn2c(Cc3ccncc3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC001302622932 1067252718 /nfs/dbraw/zinc/25/27/18/1067252718.db2.gz OHINKKISXGWPPI-SFHVURJKSA-N 1 0 497.635 3.164 20 0 JGADRO CSC1(Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)CC[NH+](C)CC1 ZINC001302623533 1067253224 /nfs/dbraw/zinc/25/32/24/1067253224.db2.gz GFGKVWWVLQTMLC-HXUWFJFHSA-N 1 0 486.686 3.085 20 0 JGADRO CSC1(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CCC2CC2)CC[NH+](C)CC1 ZINC001302623692 1067253582 /nfs/dbraw/zinc/25/35/82/1067253582.db2.gz LHNKQDZYTBIHOX-UHFFFAOYSA-N 1 0 462.689 3.333 20 0 JGADRO Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)S[C@@H](C)C2)cc(N2CCCC2)[nH+]1 ZINC001304211972 1067255596 /nfs/dbraw/zinc/25/55/96/1067255596.db2.gz UXSKIBDSNHAQLL-HDICACEKSA-N 1 0 457.648 3.098 20 0 JGADRO CSC1(Cn2c(N3C[C@H](C)OC4(CCOCC4)C3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302625998 1067256380 /nfs/dbraw/zinc/25/63/80/1067256380.db2.gz YYTFAIIPLSPXGL-SFHVURJKSA-N 1 0 451.681 3.177 20 0 JGADRO Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001304214190 1067257629 /nfs/dbraw/zinc/25/76/29/1067257629.db2.gz WLUGCROWWNEQBS-FQEVSTJZSA-N 1 0 455.607 3.384 20 0 JGADRO CSC1(Cn2c(CN3CCCC3=O)nnc2N2CCC(C)=C(Br)C2)CC[NH+](C)CC1 ZINC001302628476 1067258498 /nfs/dbraw/zinc/25/84/98/1067258498.db2.gz XHNCVFOGFOMSHO-UHFFFAOYSA-N 1 0 497.507 3.107 20 0 JGADRO CC(C)c1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001302628182 1067258533 /nfs/dbraw/zinc/25/85/33/1067258533.db2.gz KRMVKSNUFCLIRY-YADHBBJMSA-N 1 0 476.616 3.468 20 0 JGADRO Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)cs1 ZINC001304215311 1067258593 /nfs/dbraw/zinc/25/85/93/1067258593.db2.gz RMCUOXUNYJZKHK-KGXSXCIVSA-N 1 0 480.704 3.007 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1cccc(Br)n1 ZINC001302633122 1067262015 /nfs/dbraw/zinc/26/20/15/1067262015.db2.gz MDHDZAACHYAJDX-IBGZPJMESA-N 1 0 476.467 3.212 20 0 JGADRO CSC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)C[C@@H]2CCOC2)CC[NH+](C)CC1 ZINC001302632893 1067262049 /nfs/dbraw/zinc/26/20/49/1067262049.db2.gz HIYVXLMDESZJAT-XUVXKRRUSA-N 1 0 465.708 3.497 20 0 JGADRO CC(C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001302633094 1067262057 /nfs/dbraw/zinc/26/20/57/1067262057.db2.gz LCIYDXFSOOGWFM-SFHVURJKSA-N 1 0 460.696 3.204 20 0 JGADRO CC(C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302633088 1067262093 /nfs/dbraw/zinc/26/20/93/1067262093.db2.gz KORYLAPYZSSCSS-QHCPKHFHSA-N 1 0 486.636 3.176 20 0 JGADRO Cc1cc(Cn2c(CC(C)(C)C)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc(N2CCCC2)[nH+]1 ZINC001304222194 1067262161 /nfs/dbraw/zinc/26/21/61/1067262161.db2.gz QNHILAKLRKNLOO-SFHVURJKSA-N 1 0 462.664 3.088 20 0 JGADRO Cc1cc(Cn2c(CC(C)C)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc(N2CCCC2)[nH+]1 ZINC001304222908 1067262661 /nfs/dbraw/zinc/26/26/61/1067262661.db2.gz WOQJYFCIFIYGGR-SZPZYZBQSA-N 1 0 469.678 3.374 20 0 JGADRO CSC1(Cn2c(N3CCOC(C)(C)[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001302634699 1067263634 /nfs/dbraw/zinc/26/36/34/1067263634.db2.gz OGXBIBLCNGALPW-CYFREDJKSA-N 1 0 481.707 3.150 20 0 JGADRO CSC1(Cn2c(N3CCC(N4CCCCC4=O)CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302636022 1067265793 /nfs/dbraw/zinc/26/57/93/1067265793.db2.gz WXTORHGGIVRJMF-UHFFFAOYSA-N 1 0 462.708 3.384 20 0 JGADRO CC(C)c1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302639327 1067268654 /nfs/dbraw/zinc/26/86/54/1067268654.db2.gz ZXHHMYYEKUHPSZ-ZJSXRUAMSA-N 1 0 462.038 3.086 20 0 JGADRO CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302639235 1067268690 /nfs/dbraw/zinc/26/86/90/1067268690.db2.gz WWIIXBDOVHFIHI-UHFFFAOYSA-N 1 0 477.613 3.053 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H]2CCCOC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304232450 1067270112 /nfs/dbraw/zinc/27/01/12/1067270112.db2.gz QYGOBSOHYFZDAS-NLFFAJNJSA-N 1 0 492.064 3.181 20 0 JGADRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C)C(=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001304232944 1067271115 /nfs/dbraw/zinc/27/11/15/1067271115.db2.gz PCYRKTGJUIABFI-UHFFFAOYSA-N 1 0 489.064 3.404 20 0 JGADRO Cc1cc(F)cc2c1CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](C)[NH+]1CCCCC1)CC2 ZINC001304233577 1067272115 /nfs/dbraw/zinc/27/21/15/1067272115.db2.gz IQIONPVVSXXMJU-RBUKOAKNSA-N 1 0 492.665 3.163 20 0 JGADRO CC(C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001302644359 1067272597 /nfs/dbraw/zinc/27/25/97/1067272597.db2.gz UGKSQDKFIXPJSK-UHFFFAOYSA-N 1 0 463.630 3.414 20 0 JGADRO CSc1cc(Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)ccn1 ZINC001302644602 1067273091 /nfs/dbraw/zinc/27/30/91/1067273091.db2.gz CUQZMDFCXDAJKX-XMMPIXPASA-N 1 0 474.675 3.262 20 0 JGADRO 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CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302661205 1067288451 /nfs/dbraw/zinc/28/84/51/1067288451.db2.gz SFRPMCVTHPTBFV-NHCUHLMSSA-N 1 0 480.723 3.353 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001302663583 1067290403 /nfs/dbraw/zinc/29/04/03/1067290403.db2.gz OSTWYJXTDIPKKG-VGOFRKELSA-N 1 0 475.688 3.085 20 0 JGADRO CC(C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001302664386 1067291417 /nfs/dbraw/zinc/29/14/17/1067291417.db2.gz IZBCYUPMUBTDRM-HSZRJFAPSA-N 1 0 481.689 3.057 20 0 JGADRO Cc1ccc(C(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001304261616 1067296832 /nfs/dbraw/zinc/29/68/32/1067296832.db2.gz BRAMKMSLOFHJFS-QFIPXVFZSA-N 1 0 454.619 3.225 20 0 JGADRO CC(C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302671569 1067297498 /nfs/dbraw/zinc/29/74/98/1067297498.db2.gz XQVGHYROJBVVPD-UHFFFAOYSA-N 1 0 454.619 3.334 20 0 JGADRO 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CSCCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302747626 1067356067 /nfs/dbraw/zinc/35/60/67/1067356067.db2.gz CZRBXWBBRVWIOA-NHCUHLMSSA-N 1 0 451.681 3.254 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001304309149 1067356830 /nfs/dbraw/zinc/35/68/30/1067356830.db2.gz DLLNTNOBZLBCBO-MWTRTKDXSA-N 1 0 489.462 3.450 20 0 JGADRO Cc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1Br ZINC001304310628 1067358231 /nfs/dbraw/zinc/35/82/31/1067358231.db2.gz ZRVPYTBVSNQJDD-NSHGMRRFSA-N 1 0 492.462 3.476 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001304311420 1067358847 /nfs/dbraw/zinc/35/88/47/1067358847.db2.gz LQQNWBNJOWUGNE-AVRWGWEMSA-N 1 0 450.587 3.459 20 0 JGADRO CSCCCCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001302754438 1067359668 /nfs/dbraw/zinc/35/96/68/1067359668.db2.gz KRSYOIPRMXYCTR-LEWJYISDSA-N 1 0 450.697 3.268 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC001304314763 1067362198 /nfs/dbraw/zinc/36/21/98/1067362198.db2.gz USYPLKOBKLNDKW-MHECFPHRSA-N 1 0 492.690 3.217 20 0 JGADRO CSCCCCn1c(-c2cccn2C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001302765032 1067365095 /nfs/dbraw/zinc/36/50/95/1067365095.db2.gz ULJZXIWEBSOJAI-UHFFFAOYSA-N 1 0 459.708 3.422 20 0 JGADRO CSCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001302766100 1067365665 /nfs/dbraw/zinc/36/56/65/1067365665.db2.gz DYTAHENPXOYKRN-LEWJYISDSA-N 1 0 483.748 3.272 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC=C(Br)C3)n2CCC[NH+]2CCC(O)CC2)o1 ZINC001304318371 1067365817 /nfs/dbraw/zinc/36/58/17/1067365817.db2.gz GJXHFJJTAYHTRG-UHFFFAOYSA-N 1 0 450.381 3.182 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001304318686 1067365969 /nfs/dbraw/zinc/36/59/69/1067365969.db2.gz ZFDTYAFIFBRNEN-ROUUACIJSA-N 1 0 472.634 3.074 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)o1 ZINC001304318638 1067366194 /nfs/dbraw/zinc/36/61/94/1067366194.db2.gz RPMHOMZQJSNEEU-UHFFFAOYSA-N 1 0 480.613 3.282 20 0 JGADRO CSCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001302767496 1067366434 /nfs/dbraw/zinc/36/64/34/1067366434.db2.gz OCHHADMCVPHHFW-UHFFFAOYSA-N 1 0 472.707 3.373 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCCC[NH+]2CCOCC2)o1 ZINC001304319259 1067366773 /nfs/dbraw/zinc/36/67/73/1067366773.db2.gz DZNGAQQVGSVGSI-OAQYLSRUSA-N 1 0 486.661 3.338 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)o1 ZINC001304322073 1067369556 /nfs/dbraw/zinc/36/95/56/1067369556.db2.gz LTQOPDNTFOORKL-AZUAARDMSA-N 1 0 488.633 3.139 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@H]2CC(F)(F)CO2)o1 ZINC001304323268 1067371168 /nfs/dbraw/zinc/37/11/68/1067371168.db2.gz AICWKMGZYLPEEG-MRXNPFEDSA-N 1 0 493.477 3.362 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CCCc2nnc(C)s2)o1 ZINC001304323982 1067372193 /nfs/dbraw/zinc/37/21/93/1067372193.db2.gz JWTVFSPSADWWCZ-UHFFFAOYSA-N 1 0 459.620 3.186 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2cccc(C(=O)N(C)C)c2)o1 ZINC001304325891 1067375076 /nfs/dbraw/zinc/37/50/76/1067375076.db2.gz PMXUVHCYYBQSPH-UHFFFAOYSA-N 1 0 450.587 3.375 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCC(=O)N(C)C)cc1Br ZINC001304326508 1067375286 /nfs/dbraw/zinc/37/52/86/1067375286.db2.gz VNDXOXHZKTVUIU-UHFFFAOYSA-N 1 0 475.435 3.169 20 0 JGADRO Cc1ccc(-c2nnc(N3CCO[C@]4(CCO[C@H]4C)C3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001304328327 1067376987 /nfs/dbraw/zinc/37/69/87/1067376987.db2.gz PSMPRXNSXGVIAF-HYFFOGBASA-N 1 0 478.435 3.350 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCS1 ZINC001302784720 1067377842 /nfs/dbraw/zinc/37/78/42/1067377842.db2.gz XLXCKYKGXQQHLG-NHCUHLMSSA-N 1 0 474.650 3.420 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001302788052 1067379651 /nfs/dbraw/zinc/37/96/51/1067379651.db2.gz KINRRPCNLPWJMM-QZTJIDSGSA-N 1 0 488.683 3.495 20 0 JGADRO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302788397 1067379964 /nfs/dbraw/zinc/37/99/64/1067379964.db2.gz IGHAOAGUWYKJFZ-YADHBBJMSA-N 1 0 459.660 3.262 20 0 JGADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001304333689 1067380267 /nfs/dbraw/zinc/38/02/67/1067380267.db2.gz WVZJFYFXPSOVCA-CTNGQTDRSA-N 1 0 474.675 3.413 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001302789998 1067381253 /nfs/dbraw/zinc/38/12/53/1067381253.db2.gz VXWONYAYGWRRLT-JOCHJYFZSA-N 1 0 475.609 3.093 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC001304339516 1067385096 /nfs/dbraw/zinc/38/50/96/1067385096.db2.gz ZHIWVPPSSXQNRO-OXQOHEQNSA-N 1 0 494.662 3.337 20 0 JGADRO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c(F)c1 ZINC001304345554 1067388219 /nfs/dbraw/zinc/38/82/19/1067388219.db2.gz MKENHNWRMNJTTI-NZQKXSOJSA-N 1 0 496.635 3.165 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCc2ccccc2)C1)[NH+](C)C ZINC001302802930 1067391445 /nfs/dbraw/zinc/39/14/45/1067391445.db2.gz GZNUKVLSEWULKE-GOTSBHOMSA-N 1 0 468.646 3.286 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1)[NH+](C)C ZINC001302802976 1067391453 /nfs/dbraw/zinc/39/14/53/1067391453.db2.gz IANQZPRAPJWMAL-OALUTQOASA-N 1 0 472.638 3.037 20 0 JGADRO Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC([NH2+]C(C)C)CC2)c(=O)n1C ZINC001304350293 1067391746 /nfs/dbraw/zinc/39/17/46/1067391746.db2.gz UUJMJSGXFKFEFH-UHFFFAOYSA-N 1 0 488.434 3.058 20 0 JGADRO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC001304351732 1067392930 /nfs/dbraw/zinc/39/29/30/1067392930.db2.gz QBOFOWNFDLJWEI-ICSRJNTNSA-N 1 0 488.683 3.017 20 0 JGADRO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001302805270 1067393254 /nfs/dbraw/zinc/39/32/54/1067393254.db2.gz HFQPGQPBKYVUDI-RDGATRHJSA-N 1 0 474.694 3.408 20 0 JGADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C(C)C)C1)[NH+](C)C ZINC001302805434 1067393282 /nfs/dbraw/zinc/39/32/82/1067393282.db2.gz YYOJFONJSNEVJV-MOPGFXCFSA-N 1 0 459.664 3.480 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001302807722 1067395235 /nfs/dbraw/zinc/39/52/35/1067395235.db2.gz IMPQGSCFLIQUFR-IEBWSBKVSA-N 1 0 477.451 3.386 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001302807643 1067395409 /nfs/dbraw/zinc/39/54/09/1067395409.db2.gz HJYCBAYEVIDQFL-VAMGGRTRSA-N 1 0 463.026 3.354 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCOC1)[NH+](C)C ZINC001302808026 1067395984 /nfs/dbraw/zinc/39/59/84/1067395984.db2.gz LXOUAFFOVJNYGJ-DLBZAZTESA-N 1 0 453.429 3.248 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001302808401 1067396494 /nfs/dbraw/zinc/39/64/94/1067396494.db2.gz OWGQNGLGMJWZKV-UYAOXDASSA-N 1 0 474.053 3.465 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001302808917 1067397083 /nfs/dbraw/zinc/39/70/83/1067397083.db2.gz SFJOFVRNCORYKP-WSTZPKSXSA-N 1 0 460.598 3.235 20 0 JGADRO CC(C)CC(=O)Nc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001302809423 1067398031 /nfs/dbraw/zinc/39/80/31/1067398031.db2.gz ZZXTULLXPQMBAI-UHFFFAOYSA-N 1 0 481.645 3.077 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC(N2CCNC2=O)CC1)[NH+](C)C ZINC001302811645 1067399223 /nfs/dbraw/zinc/39/92/23/1067399223.db2.gz JQAYDTSKQADSRJ-LJQANCHMSA-N 1 0 457.598 3.055 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001302812207 1067399668 /nfs/dbraw/zinc/39/96/68/1067399668.db2.gz PJBCHZNXRXMHLK-IRLDBZIGSA-N 1 0 456.635 3.338 20 0 JGADRO CSCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001302814561 1067401395 /nfs/dbraw/zinc/40/13/95/1067401395.db2.gz SRELVBVCAIIIKW-ZVDOUQERSA-N 1 0 451.681 3.251 20 0 JGADRO CSCCCn1c(Cc2cccnc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001302815083 1067402304 /nfs/dbraw/zinc/40/23/04/1067402304.db2.gz HTZSCTDHSLCLJT-BGYRXZFFSA-N 1 0 458.676 3.343 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001304363889 1067402449 /nfs/dbraw/zinc/40/24/49/1067402449.db2.gz BXKVYIIXDXXTCJ-GOSISDBHSA-N 1 0 480.654 3.237 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2[C@H]1C)[NH+](C)C ZINC001302817049 1067404111 /nfs/dbraw/zinc/40/41/11/1067404111.db2.gz CILINBNYTZCWSL-HLAWJBBLSA-N 1 0 459.660 3.280 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001304365294 1067404291 /nfs/dbraw/zinc/40/42/91/1067404291.db2.gz MIYWSZZVBZCADQ-DEOSSOPVSA-N 1 0 483.617 3.447 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001302817399 1067404654 /nfs/dbraw/zinc/40/46/54/1067404654.db2.gz DCLOEMLOPUYKIR-PLACYPQZSA-N 1 0 494.681 3.176 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001302818157 1067406119 /nfs/dbraw/zinc/40/61/19/1067406119.db2.gz HLVCHKRSAODVAM-NQIIRXRSSA-N 1 0 472.634 3.118 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001302818650 1067406552 /nfs/dbraw/zinc/40/65/52/1067406552.db2.gz NYGOKOTXNFTZCJ-RBUKOAKNSA-N 1 0 472.659 3.416 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302819744 1067407044 /nfs/dbraw/zinc/40/70/44/1067407044.db2.gz QHRJNMNFUNJRPY-MOPGFXCFSA-N 1 0 472.638 3.205 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1)[NH+](C)C ZINC001302819772 1067407047 /nfs/dbraw/zinc/40/70/47/1067407047.db2.gz NKOJJKRBBUIDFF-LVXARBLLSA-N 1 0 466.605 3.477 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+](C)C ZINC001302819778 1067407413 /nfs/dbraw/zinc/40/74/13/1067407413.db2.gz NPXHPMDDSDGWOH-MOPGFXCFSA-N 1 0 488.599 3.043 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1)[NH+](C)C ZINC001302820291 1067407442 /nfs/dbraw/zinc/40/74/42/1067407442.db2.gz OKRMCFYLJOZXLF-XZOQPEGZSA-N 1 0 469.609 3.086 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCc2ccccc2)C1)[NH+](C)C ZINC001302820551 1067408391 /nfs/dbraw/zinc/40/83/91/1067408391.db2.gz UPYHYJBHSYROJE-BHIFYINESA-N 1 0 454.619 3.001 20 0 JGADRO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001304368439 1067408456 /nfs/dbraw/zinc/40/84/56/1067408456.db2.gz XFAZMPGVSJOEBY-QFIPXVFZSA-N 1 0 468.577 3.463 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001302820897 1067408700 /nfs/dbraw/zinc/40/87/00/1067408700.db2.gz VDTXTVZONDIYOX-OALUTQOASA-N 1 0 481.645 3.172 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)CC1)[NH+](C)C ZINC001302821344 1067409701 /nfs/dbraw/zinc/40/97/01/1067409701.db2.gz WYBJYLKUFHFMRU-LJQANCHMSA-N 1 0 461.680 3.451 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+](C)C ZINC001302821278 1067409747 /nfs/dbraw/zinc/40/97/47/1067409747.db2.gz VEYBBUOLMFHYNK-OXJNMPFZSA-N 1 0 464.561 3.111 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc2ccccc2[nH]1)[NH+](C)C ZINC001302821602 1067410106 /nfs/dbraw/zinc/41/01/06/1067410106.db2.gz XLNAGNLDKGYFQB-CTNGQTDRSA-N 1 0 472.659 3.274 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1)[NH+](C)C ZINC001302821468 1067410118 /nfs/dbraw/zinc/41/01/18/1067410118.db2.gz WOZRALSQVOZDPU-QFIPXVFZSA-N 1 0 466.609 3.101 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302821682 1067410586 /nfs/dbraw/zinc/41/05/86/1067410586.db2.gz YIIZLBJJIHYWLI-PLACYPQZSA-N 1 0 478.682 3.498 20 0 JGADRO CC(C)C[C@H](Cn1c(N2CCC[C@@H]2c2cnn(C)c2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001302822032 1067410943 /nfs/dbraw/zinc/41/09/43/1067410943.db2.gz LBFBGNINFGGUSK-RQTOMXEWSA-N 1 0 473.666 3.370 20 0 JGADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(O)cc1)[NH+](C)C ZINC001302822354 1067411470 /nfs/dbraw/zinc/41/14/70/1067411470.db2.gz NDKSLLNRZLIVEE-UNMCSNQZSA-N 1 0 454.619 3.424 20 0 JGADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1)[NH+](C)C ZINC001302822353 1067411492 /nfs/dbraw/zinc/41/14/92/1067411492.db2.gz NDKSLLNRZLIVEE-RBBKRZOGSA-N 1 0 454.619 3.424 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC001302822875 1067411855 /nfs/dbraw/zinc/41/18/55/1067411855.db2.gz PFXHHMDOROJMLR-FJIJXJHWSA-N 1 0 488.652 3.129 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCCO3)n2CC2([NH+](C)C)CCOCC2)cc1C ZINC001304375272 1067415209 /nfs/dbraw/zinc/41/52/09/1067415209.db2.gz KGUSKYZZMYZOKG-QFIPXVFZSA-N 1 0 484.645 3.263 20 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C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1O ZINC001302837468 1067423944 /nfs/dbraw/zinc/42/39/44/1067423944.db2.gz JYSCFKAVJLPZOM-QUCCMNQESA-N 1 0 478.682 3.188 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(CNC(=O)c4cccs4)n3CC(C)(C)C[NH+](C)C)CC2)cc1 ZINC001304379369 1067424500 /nfs/dbraw/zinc/42/45/00/1067424500.db2.gz RYGNISNYUYUWGQ-UHFFFAOYSA-N 1 0 495.697 3.492 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001304379923 1067425532 /nfs/dbraw/zinc/42/55/32/1067425532.db2.gz LTZFJDPXKOCIQS-QFIPXVFZSA-N 1 0 479.412 3.113 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(CN4CCCC4=O)n3CC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001304380462 1067428425 /nfs/dbraw/zinc/42/84/25/1067428425.db2.gz YUZPYPYZDXIBLE-UHFFFAOYSA-N 1 0 467.662 3.154 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001304380911 1067428782 /nfs/dbraw/zinc/42/87/82/1067428782.db2.gz YFSNWNBSNZVRTR-UHFFFAOYSA-N 1 0 483.661 3.228 20 0 JGADRO C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1O ZINC001302842718 1067429345 /nfs/dbraw/zinc/42/93/45/1067429345.db2.gz CHBQRFFLGQMJLU-XXBNENTESA-N 1 0 469.655 3.321 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC001304381852 1067429604 /nfs/dbraw/zinc/42/96/04/1067429604.db2.gz DGNULWMEUDELJR-DEOSSOPVSA-N 1 0 472.659 3.200 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304382145 1067430195 /nfs/dbraw/zinc/43/01/95/1067430195.db2.gz JLYYVMABBXPXFQ-LJQANCHMSA-N 1 0 490.599 3.476 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1C ZINC001304382654 1067431186 /nfs/dbraw/zinc/43/11/86/1067431186.db2.gz FVULHVRMINGUOE-ICSRJNTNSA-N 1 0 495.653 3.213 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001302845911 1067431523 /nfs/dbraw/zinc/43/15/23/1067431523.db2.gz DGLNZEQFTWCTMD-HXUWFJFHSA-N 1 0 459.616 3.412 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2CC[N@@H+](C)C2CCCC2)cc1C ZINC001304383583 1067432947 /nfs/dbraw/zinc/43/29/47/1067432947.db2.gz MEAQTMHVMHWKMT-UHFFFAOYSA-N 1 0 489.615 3.409 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1C ZINC001304384481 1067435274 /nfs/dbraw/zinc/43/52/74/1067435274.db2.gz QBJOHOREJFINQT-OFNKIYASSA-N 1 0 495.672 3.325 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](OCC4CC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304384938 1067436634 /nfs/dbraw/zinc/43/66/34/1067436634.db2.gz VWMLDPCGWPUMNV-SIKLNZKXSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](OCC4CC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304384937 1067436645 /nfs/dbraw/zinc/43/66/45/1067436645.db2.gz VWMLDPCGWPUMNV-KNQAVFIVSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1C ZINC001304385651 1067438445 /nfs/dbraw/zinc/43/84/45/1067438445.db2.gz ZYNLLBQDIFWQSI-INXRYCJYSA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H]([C@H]4CCCO4)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001304386195 1067439439 /nfs/dbraw/zinc/43/94/39/1067439439.db2.gz IEYPGRBSMGDWLK-FGZHOGPDSA-N 1 0 484.645 3.119 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CCC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C(F)(F)F ZINC001302856492 1067439567 /nfs/dbraw/zinc/43/95/67/1067439567.db2.gz QHGDSQSZJRGJBF-KBAYOESNSA-N 1 0 456.557 3.123 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4cccn4C)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001304386284 1067439986 /nfs/dbraw/zinc/43/99/86/1067439986.db2.gz CKJBMCMVQJTJGK-FQEVSTJZSA-N 1 0 478.645 3.430 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1C ZINC001304386362 1067440403 /nfs/dbraw/zinc/44/04/03/1067440403.db2.gz FBUOEEFMOAECNT-YDIMBITNSA-N 1 0 472.659 3.198 20 0 JGADRO CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1nccn1C(F)F ZINC001302857463 1067440465 /nfs/dbraw/zinc/44/04/65/1067440465.db2.gz UJRWNLJEWZRLSB-UHFFFAOYSA-N 1 0 472.588 3.375 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOCC3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001304387767 1067444548 /nfs/dbraw/zinc/44/45/48/1067444548.db2.gz YYKOVSWSNURBAD-IBGZPJMESA-N 1 0 454.619 3.496 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001304388657 1067447064 /nfs/dbraw/zinc/44/70/64/1067447064.db2.gz FCKYCHSXIMVWTB-NHCUHLMSSA-N 1 0 454.619 3.286 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCCO2)n1CCSCCCO ZINC001302866091 1067447275 /nfs/dbraw/zinc/44/72/75/1067447275.db2.gz IMWPIZMUDYPRTE-IRLDBZIGSA-N 1 0 459.660 3.346 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 ZINC001302867393 1067448437 /nfs/dbraw/zinc/44/84/37/1067448437.db2.gz UNIBDSQXBATZAK-MRXNPFEDSA-N 1 0 461.680 3.462 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304390383 1067450558 /nfs/dbraw/zinc/45/05/58/1067450558.db2.gz WJVJDRXNSJHNBD-QFIPXVFZSA-N 1 0 491.640 3.148 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC001304396365 1067457895 /nfs/dbraw/zinc/45/78/95/1067457895.db2.gz MRHSVBMHLKJICR-UHFFFAOYSA-N 1 0 498.672 3.161 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001304396371 1067458298 /nfs/dbraw/zinc/45/82/98/1067458298.db2.gz MTHBOQCFKHDIJQ-UHFFFAOYSA-N 1 0 456.635 3.248 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001302879290 1067461038 /nfs/dbraw/zinc/46/10/38/1067461038.db2.gz NKQDZJDEDSTBLG-CALCHBBNSA-N 1 0 451.974 3.464 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001304399244 1067461912 /nfs/dbraw/zinc/46/19/12/1067461912.db2.gz XIOYXIBOETWGNJ-NJYVYQBISA-N 1 0 486.661 3.062 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001304403755 1067466219 /nfs/dbraw/zinc/46/62/19/1067466219.db2.gz KMRCCRDPNGTCPR-QGZVFWFLSA-N 1 0 482.551 3.011 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CCC3CCOCC3)n2CC[NH+]2CCSCC2)cc1 ZINC001304403823 1067466288 /nfs/dbraw/zinc/46/62/88/1067466288.db2.gz LYRMQXCFNRPXFO-UHFFFAOYSA-N 1 0 459.660 3.467 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC(C)(C)C[NH+]2CCCC2)cc1C ZINC001304405640 1067468615 /nfs/dbraw/zinc/46/86/15/1067468615.db2.gz MAESBGZOTFXHKD-NRFANRHFSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001304405775 1067469161 /nfs/dbraw/zinc/46/91/61/1067469161.db2.gz MUZLLIWNUHNFOK-FGZHOGPDSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001304406599 1067470223 /nfs/dbraw/zinc/47/02/23/1067470223.db2.gz SURISGIXWKTTGW-FCHUYYIVSA-N 1 0 468.646 3.405 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001302890630 1067470252 /nfs/dbraw/zinc/47/02/52/1067470252.db2.gz VJWPRYPYECYDIP-JGCGQSQUSA-N 1 0 465.708 3.107 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001304406644 1067470521 /nfs/dbraw/zinc/47/05/21/1067470521.db2.gz UXZDTEQFBBGJBO-ISJBWFOZSA-N 1 0 468.646 3.343 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302892762 1067473424 /nfs/dbraw/zinc/47/34/24/1067473424.db2.gz MHGGUCBCIZWFBX-QFIPXVFZSA-N 1 0 465.708 3.394 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](Oc4ccccn4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304410203 1067476213 /nfs/dbraw/zinc/47/62/13/1067476213.db2.gz AEGOJYCAKMMVBH-UNMCSNQZSA-N 1 0 450.587 3.477 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1CC1(CS(C)(=O)=O)CC1 ZINC001302895641 1067476395 /nfs/dbraw/zinc/47/63/95/1067476395.db2.gz VAKYPTDFLXBYGK-NRFANRHFSA-N 1 0 459.660 3.012 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[NH+]4CCCCCC4)CC3)n2CC(=O)N(C)C)cc1 ZINC001304410274 1067476500 /nfs/dbraw/zinc/47/65/00/1067476500.db2.gz MAWWHGHJCWRKNR-UHFFFAOYSA-N 1 0 468.646 3.346 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001304410471 1067476572 /nfs/dbraw/zinc/47/65/72/1067476572.db2.gz FQGHTYYKPINYNH-UWDQQESISA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCC(C)(C)O)cc1C ZINC001304410915 1067478289 /nfs/dbraw/zinc/47/82/89/1067478289.db2.gz XUKVLQQBMFWGCJ-UHFFFAOYSA-N 1 0 471.646 3.184 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304411615 1067479568 /nfs/dbraw/zinc/47/95/68/1067479568.db2.gz URQRTLQJBODNTN-XZOQPEGZSA-N 1 0 489.686 3.218 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001304411593 1067479610 /nfs/dbraw/zinc/47/96/10/1067479610.db2.gz DTDBYTOUJWSXKW-UHFFFAOYSA-N 1 0 475.659 3.053 20 0 JGADRO CC(C)Cc1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302898732 1067480552 /nfs/dbraw/zinc/48/05/52/1067480552.db2.gz BPLILAQICFZTMP-JOCHJYFZSA-N 1 0 456.610 3.414 20 0 JGADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H](C)C1(F)F ZINC001302898886 1067480558 /nfs/dbraw/zinc/48/05/58/1067480558.db2.gz NSVREAVKOYSYPB-BBWFWOEESA-N 1 0 450.534 3.024 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302899302 1067481615 /nfs/dbraw/zinc/48/16/15/1067481615.db2.gz HDKOWSKQNFJNRX-VWLOTQADSA-N 1 0 495.716 3.026 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001304412625 1067481803 /nfs/dbraw/zinc/48/18/03/1067481803.db2.gz NEDIUWZPRDNNLK-PZJWPPBQSA-N 1 0 466.586 3.153 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001302900381 1067482955 /nfs/dbraw/zinc/48/29/55/1067482955.db2.gz VHXZDLYNFPFKKA-JOCHJYFZSA-N 1 0 491.725 3.338 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001304414696 1067484781 /nfs/dbraw/zinc/48/47/81/1067484781.db2.gz IUXNMVSEGBKUCX-QFIPXVFZSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H]3c3nncn3C)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001304414796 1067485202 /nfs/dbraw/zinc/48/52/02/1067485202.db2.gz CMSLMXUEHNWWTR-FQEVSTJZSA-N 1 0 452.607 3.223 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(CCc4ccccc4)n3CC(C)(C)O)CC2)C[C@H](C)O1 ZINC001302901523 1067485564 /nfs/dbraw/zinc/48/55/64/1067485564.db2.gz LCWXHVIUYMEIHE-OYRHEFFESA-N 1 0 455.647 3.160 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C4CCC4)n3CCC(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC001302902230 1067487030 /nfs/dbraw/zinc/48/70/30/1067487030.db2.gz ZKZULGYXUMAHHJ-KDURUIRLSA-N 1 0 460.667 3.176 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(=O)NCc2ccco2)cc1C ZINC001304416361 1067488224 /nfs/dbraw/zinc/48/82/24/1067488224.db2.gz YTUMQRVKMVRVAV-UHFFFAOYSA-N 1 0 480.613 3.304 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC(=O)NC2CC2)cc1 ZINC001304416982 1067489174 /nfs/dbraw/zinc/48/91/74/1067489174.db2.gz RJVUMDOEMWIMCX-UHFFFAOYSA-N 1 0 454.619 3.145 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ncnn2C(C)(C)C)cc1C ZINC001304418165 1067491668 /nfs/dbraw/zinc/49/16/68/1067491668.db2.gz MFFBZMJSYUENAA-UHFFFAOYSA-N 1 0 466.634 3.399 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(Cc3cccnc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC001302908868 1067493554 /nfs/dbraw/zinc/49/35/54/1067493554.db2.gz MFOCQCHVKZEYCZ-RZUBCFFCSA-N 1 0 483.686 3.174 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1C ZINC001304419327 1067494006 /nfs/dbraw/zinc/49/40/06/1067494006.db2.gz OCJLVSIVRCCOQJ-LJQANCHMSA-N 1 0 462.589 3.344 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCC[NH+]2CCC(C)CC2)cc1C ZINC001304420412 1067496220 /nfs/dbraw/zinc/49/62/20/1067496220.db2.gz LULDNKXKSJUWHB-UHFFFAOYSA-N 1 0 489.686 3.221 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001302911487 1067497097 /nfs/dbraw/zinc/49/70/97/1067497097.db2.gz WOCLZZDWKKEFFT-SNRMKQJTSA-N 1 0 461.010 3.189 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304421724 1067497573 /nfs/dbraw/zinc/49/75/73/1067497573.db2.gz GEWSQNUAWHCTLB-LEWJYISDSA-N 1 0 459.660 3.262 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](c4nnc(C(C)C)o4)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001304422681 1067499107 /nfs/dbraw/zinc/49/91/07/1067499107.db2.gz XGFMYBXBNCUEMC-QUCCMNQESA-N 1 0 469.590 3.200 20 0 JGADRO Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC001304422830 1067499120 /nfs/dbraw/zinc/49/91/20/1067499120.db2.gz MHSAYHFXXQDDCN-OAQYLSRUSA-N 1 0 454.619 3.258 20 0 JGADRO O=C(Cn1nc(Br)c(Br)n1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916390 1067499994 /nfs/dbraw/zinc/49/99/94/1067499994.db2.gz MMAGFAITXAVIFY-UHFFFAOYSA-N 1 0 457.170 3.428 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001304423947 1067500614 /nfs/dbraw/zinc/50/06/14/1067500614.db2.gz BWGMIQSHNFTMAT-IBGZPJMESA-N 1 0 451.493 3.195 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001302921111 1067502052 /nfs/dbraw/zinc/50/20/52/1067502052.db2.gz VXCUNOXRKASPNZ-WWNPGLIZSA-N 1 0 452.647 3.479 20 0 JGADRO Cc1ccc(OCc2nnc(Nc3cnn(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001304425049 1067502235 /nfs/dbraw/zinc/50/22/35/1067502235.db2.gz HSVSYKLQSIBWKO-PMACEKPBSA-N 1 0 453.591 3.450 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCn1cc(Br)cn1 ZINC001302922493 1067502441 /nfs/dbraw/zinc/50/24/41/1067502441.db2.gz GCHBGYNPISRKDV-GOSISDBHSA-N 1 0 450.429 3.200 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001302922211 1067502457 /nfs/dbraw/zinc/50/24/57/1067502457.db2.gz BGFFRYNIELZJOJ-JOCHJYFZSA-N 1 0 456.610 3.339 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302924087 1067504254 /nfs/dbraw/zinc/50/42/54/1067504254.db2.gz WRNYUAXHDXUENF-NJYVYQBISA-N 1 0 462.683 3.105 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001302928261 1067505792 /nfs/dbraw/zinc/50/57/92/1067505792.db2.gz DMFQQUHXBUPWSK-HSZRJFAPSA-N 1 0 473.687 3.402 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304428488 1067505815 /nfs/dbraw/zinc/50/58/15/1067505815.db2.gz ISFHKEJPBUIHMT-LADGPHEKSA-N 1 0 471.646 3.353 20 0 JGADRO CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302932008 1067507571 /nfs/dbraw/zinc/50/75/71/1067507571.db2.gz ROZHJANNWDCHRN-SXWKCWPCSA-N 1 0 453.697 3.391 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302932881 1067508222 /nfs/dbraw/zinc/50/82/22/1067508222.db2.gz FEORKRDXYHRCHB-UHFFFAOYSA-N 1 0 495.716 3.103 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[NH+]2CCSCC2)cc1 ZINC001304432300 1067510755 /nfs/dbraw/zinc/51/07/55/1067510755.db2.gz UQKHHAAYHQGKGT-UHFFFAOYSA-N 1 0 476.716 3.279 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304432589 1067511082 /nfs/dbraw/zinc/51/10/82/1067511082.db2.gz ZFWWLBFKKRRKAB-RTWAWAEBSA-N 1 0 459.660 3.461 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001304432793 1067511421 /nfs/dbraw/zinc/51/14/21/1067511421.db2.gz GWSWQGIAFHZCKB-IEBWSBKVSA-N 1 0 454.600 3.086 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304432718 1067511473 /nfs/dbraw/zinc/51/14/73/1067511473.db2.gz DUSDPBPCWFDCJG-IRXDYDNUSA-N 1 0 482.576 3.230 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302938608 1067512127 /nfs/dbraw/zinc/51/21/27/1067512127.db2.gz JKEAOPDVSQJXTR-GOSISDBHSA-N 1 0 466.552 3.487 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001304434544 1067513862 /nfs/dbraw/zinc/51/38/62/1067513862.db2.gz WNAOOEDVKHJVAJ-QHAWAJNXSA-N 1 0 459.660 3.339 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[NH+]1CCSCC1 ZINC001302940245 1067514500 /nfs/dbraw/zinc/51/45/00/1067514500.db2.gz XKMMTVOJRHSRNJ-UHFFFAOYSA-N 1 0 495.068 3.280 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001304436581 1067514971 /nfs/dbraw/zinc/51/49/71/1067514971.db2.gz FPLOECVRFNIIHA-UXHICEINSA-N 1 0 456.660 3.278 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCCC2)CC1 ZINC001302940868 1067515020 /nfs/dbraw/zinc/51/50/20/1067515020.db2.gz CYKXDQTUMHFNLT-LJQANCHMSA-N 1 0 459.557 3.453 20 0 JGADRO FC(F)(F)CSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302940798 1067515068 /nfs/dbraw/zinc/51/50/68/1067515068.db2.gz BGWJBQAEFMEKGR-QZTJIDSGSA-N 1 0 477.597 3.016 20 0 JGADRO FC(F)(F)CSCCn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302941114 1067515168 /nfs/dbraw/zinc/51/51/68/1067515168.db2.gz INNGTAGMDVDABS-KRWDZBQOSA-N 1 0 455.550 3.399 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001304436858 1067515631 /nfs/dbraw/zinc/51/56/31/1067515631.db2.gz HWFUOEJTXWFRNX-DVECYGJZSA-N 1 0 456.660 3.326 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC(C)(C)O)cc1 ZINC001304437166 1067516202 /nfs/dbraw/zinc/51/62/02/1067516202.db2.gz BDBZLMVTDLUNSN-FQEVSTJZSA-N 1 0 459.660 3.198 20 0 JGADRO FC(F)(F)OCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001302943807 1067516807 /nfs/dbraw/zinc/51/68/07/1067516807.db2.gz RWVOHZMTPHTWFS-GOSISDBHSA-N 1 0 475.556 3.180 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CCC[NH+]1CCCCC1 ZINC001302944687 1067517414 /nfs/dbraw/zinc/51/74/14/1067517414.db2.gz UEUIWZZRICHQQC-UHFFFAOYSA-N 1 0 486.636 3.219 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1sccc1Br ZINC001302944785 1067517740 /nfs/dbraw/zinc/51/77/40/1067517740.db2.gz WTQKXLMMMNHECW-KRWDZBQOSA-N 1 0 495.491 3.092 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302945046 1067517948 /nfs/dbraw/zinc/51/79/48/1067517948.db2.gz DPFGSWRNEHCRGZ-MBSDFSHPSA-N 1 0 466.696 3.360 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001302945144 1067518020 /nfs/dbraw/zinc/51/80/20/1067518020.db2.gz FCXNZCDFAVLTFE-DEOSSOPVSA-N 1 0 498.672 3.292 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302945043 1067518063 /nfs/dbraw/zinc/51/80/63/1067518063.db2.gz DPFGSWRNEHCRGZ-FDDCHVKYSA-N 1 0 466.696 3.360 20 0 JGADRO Cc1ccc(SCCn2c(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)nnc2C(C)(C)C)cc1 ZINC001304440320 1067520825 /nfs/dbraw/zinc/52/08/25/1067520825.db2.gz DDPWAHYCENCZSW-OAQYLSRUSA-N 1 0 470.687 3.419 20 0 JGADRO Cc1nc([C@@H]2CN(c3nnc(CSc4ccc(C)cc4)n3C[C@@H](C)[NH+](C)C)CCO2)no1 ZINC001304440494 1067521105 /nfs/dbraw/zinc/52/11/05/1067521105.db2.gz JYLZRUFBOGLSSQ-APWZRJJASA-N 1 0 457.604 3.098 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001302947807 1067521172 /nfs/dbraw/zinc/52/11/72/1067521172.db2.gz VZNMDEQUMNVQQE-RTWAWAEBSA-N 1 0 478.682 3.423 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001302947826 1067521210 /nfs/dbraw/zinc/52/12/10/1067521210.db2.gz WGVGEMCXVOVFSA-UHFFFAOYSA-N 1 0 473.691 3.227 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302949918 1067523860 /nfs/dbraw/zinc/52/38/60/1067523860.db2.gz MLJBKQDYBKKCBC-QFIPXVFZSA-N 1 0 481.689 3.270 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccc3Cl)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302954021 1067525673 /nfs/dbraw/zinc/52/56/73/1067525673.db2.gz BSDQPBMEFUTXEI-FQEVSTJZSA-N 1 0 461.054 3.303 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001302953963 1067525696 /nfs/dbraw/zinc/52/56/96/1067525696.db2.gz BBMBVYPAGNDIBT-FQEVSTJZSA-N 1 0 458.626 3.178 20 0 JGADRO Cc1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304443818 1067525735 /nfs/dbraw/zinc/52/57/35/1067525735.db2.gz VEOQGPVEEARXQV-NHCUHLMSSA-N 1 0 468.646 3.135 20 0 JGADRO FC(F)Oc1cccc(-c2nnc(N3CCSCC3)n2CCCC[NH+]2CCOCC2)c1 ZINC001302955544 1067527657 /nfs/dbraw/zinc/52/76/57/1067527657.db2.gz VIQDJJWLWSCJKA-UHFFFAOYSA-N 1 0 453.559 3.212 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1Cc1cccc(Br)n1 ZINC001302955948 1067528096 /nfs/dbraw/zinc/52/80/96/1067528096.db2.gz CLGAZOLKFKUCKB-KRWDZBQOSA-N 1 0 477.451 3.372 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccn3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302956406 1067528594 /nfs/dbraw/zinc/52/85/94/1067528594.db2.gz SKYSZBMFEODADZ-NHCUHLMSSA-N 1 0 455.651 3.086 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001304448612 1067530385 /nfs/dbraw/zinc/53/03/85/1067530385.db2.gz SJCFCVBZDHREIL-JOCHJYFZSA-N 1 0 481.689 3.437 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001304450137 1067531874 /nfs/dbraw/zinc/53/18/74/1067531874.db2.gz HSKWHMXCTQSQEO-FQEVSTJZSA-N 1 0 461.614 3.261 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)n1 ZINC001304452460 1067533290 /nfs/dbraw/zinc/53/32/90/1067533290.db2.gz ANWGGXRXPWTAMD-UHFFFAOYSA-N 1 0 483.661 3.035 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)N(C)[C@@H](C)c3ccccc3)n2CC[NH+]2CCCC2)n1 ZINC001304452960 1067534071 /nfs/dbraw/zinc/53/40/71/1067534071.db2.gz IRGQMYAHENRJMW-NRFANRHFSA-N 1 0 461.614 3.400 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001302964926 1067534843 /nfs/dbraw/zinc/53/48/43/1067534843.db2.gz KFYJIRYMWKZTOC-UHFFFAOYSA-N 1 0 466.552 3.487 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001304453633 1067535242 /nfs/dbraw/zinc/53/52/42/1067535242.db2.gz SXFQDQGHMFDPAU-LJQANCHMSA-N 1 0 491.640 3.309 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001302965234 1067535256 /nfs/dbraw/zinc/53/52/56/1067535256.db2.gz BRLVOTVERFNBFF-UHFFFAOYSA-N 1 0 462.664 3.428 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001302965349 1067535268 /nfs/dbraw/zinc/53/52/68/1067535268.db2.gz RHGPQJQNRGKXOY-ZEQRLZLVSA-N 1 0 476.710 3.057 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302965093 1067535406 /nfs/dbraw/zinc/53/54/06/1067535406.db2.gz PKZCVEITYTVIJY-QGZVFWFLSA-N 1 0 452.525 3.097 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCC(=O)N1CCCCCC1 ZINC001302966949 1067537217 /nfs/dbraw/zinc/53/72/17/1067537217.db2.gz ZTYKXMHQTMCDEY-ZEQRLZLVSA-N 1 0 487.737 3.264 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302971674 1067539662 /nfs/dbraw/zinc/53/96/62/1067539662.db2.gz GMWAJCAJGNRMAW-CJFMBICVSA-N 1 0 462.683 3.061 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302974570 1067541207 /nfs/dbraw/zinc/54/12/07/1067541207.db2.gz FYCXJOCMBQDVIJ-ZCNNSNEGSA-N 1 0 475.638 3.060 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302974564 1067541347 /nfs/dbraw/zinc/54/13/47/1067541347.db2.gz FYCXJOCMBQDVIJ-AQNXPRMDSA-N 1 0 475.638 3.060 20 0 JGADRO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304463096 1067541385 /nfs/dbraw/zinc/54/13/85/1067541385.db2.gz FVRCPGWFBFJLBZ-SFHVURJKSA-N 1 0 474.675 3.172 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302975473 1067541660 /nfs/dbraw/zinc/54/16/60/1067541660.db2.gz KOYNPGWCNAVLDT-PMACEKPBSA-N 1 0 478.682 3.327 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302977109 1067543068 /nfs/dbraw/zinc/54/30/68/1067543068.db2.gz RJZRMRRZZBKQBB-JWQCQUIFSA-N 1 0 485.673 3.398 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304465661 1067543945 /nfs/dbraw/zinc/54/39/45/1067543945.db2.gz OBBPJNATHVNLTA-RBUKOAKNSA-N 1 0 493.578 3.274 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCCC[NH+]2CCOCC2)n1 ZINC001304467406 1067545743 /nfs/dbraw/zinc/54/57/43/1067545743.db2.gz MBCMEHCECQVVCU-NRFANRHFSA-N 1 0 499.660 3.112 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302984907 1067547885 /nfs/dbraw/zinc/54/78/85/1067547885.db2.gz FUXXVMGTAZALRP-UFYCRDLUSA-N 1 0 478.682 3.468 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304474378 1067552200 /nfs/dbraw/zinc/55/22/00/1067552200.db2.gz VOXUKKVYXITMNC-RTBURBONSA-N 1 0 457.623 3.434 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001302991221 1067552518 /nfs/dbraw/zinc/55/25/18/1067552518.db2.gz OJUCMTASULWIOV-IRFCIJBXSA-N 1 0 468.712 3.271 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001304476149 1067554369 /nfs/dbraw/zinc/55/43/69/1067554369.db2.gz SLDGQBZOIGMTQA-NRFANRHFSA-N 1 0 474.675 3.317 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304477347 1067555486 /nfs/dbraw/zinc/55/54/86/1067555486.db2.gz OOQUSZDIFAIWMH-KRWDZBQOSA-N 1 0 453.557 3.309 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@H](C)C[NH+]2CCCC2)n1 ZINC001304477641 1067555786 /nfs/dbraw/zinc/55/57/86/1067555786.db2.gz RNEQNODWOQOOFF-MJGOQNOKSA-N 1 0 465.568 3.453 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001304477845 1067556017 /nfs/dbraw/zinc/55/60/17/1067556017.db2.gz MXTOFLDDLRWNEV-UHFFFAOYSA-N 1 0 482.677 3.401 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001304479599 1067559062 /nfs/dbraw/zinc/55/90/62/1067559062.db2.gz XRGOIXBHQMGZNY-LJQANCHMSA-N 1 0 457.623 3.482 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(Cc4cccc(F)c4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304479861 1067559293 /nfs/dbraw/zinc/55/92/93/1067559293.db2.gz DRNVCTOTYUPLKK-UHFFFAOYSA-N 1 0 451.594 3.450 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001304480043 1067559776 /nfs/dbraw/zinc/55/97/76/1067559776.db2.gz ICGSTLWKRDDUPG-TZIWHRDSSA-N 1 0 499.660 3.110 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCCN(C)CC(F)(F)F)n1 ZINC001304481019 1067560739 /nfs/dbraw/zinc/56/07/39/1067560739.db2.gz XQACRWVFYPXMAZ-SFHVURJKSA-N 1 0 451.541 3.207 20 0 JGADRO Cc1cccc(CC2(O)CCN(c3nnc([C@@H]4CCOC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001304481215 1067560999 /nfs/dbraw/zinc/56/09/99/1067560999.db2.gz CSCIDUFEUFRMAW-JOCHJYFZSA-N 1 0 455.647 3.252 20 0 JGADRO Cc1cccc([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001304487307 1067566012 /nfs/dbraw/zinc/56/60/12/1067566012.db2.gz LLXINFGDBCPSOG-XPWALMASSA-N 1 0 473.687 3.459 20 0 JGADRO Cc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001304494428 1067571078 /nfs/dbraw/zinc/57/10/78/1067571078.db2.gz QJBKBRGQTCQXJZ-UHFFFAOYSA-N 1 0 467.643 3.183 20 0 JGADRO Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC001304495278 1067571518 /nfs/dbraw/zinc/57/15/18/1067571518.db2.gz AOXPZJBTWMOIHE-FUDKSRODSA-N 1 0 488.702 3.336 20 0 JGADRO Cc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CC2)c1 ZINC001304497046 1067572774 /nfs/dbraw/zinc/57/27/74/1067572774.db2.gz AWPIFUWPFLRYJF-OAQYLSRUSA-N 1 0 481.670 3.416 20 0 JGADRO Cc1cccc(N2CCN(c3nnc(CC(C)C)n3CCC[NH+]3CCC(O)CC3)CC2)c1C ZINC001304497429 1067573254 /nfs/dbraw/zinc/57/32/54/1067573254.db2.gz OULYYHOUADWXRA-UHFFFAOYSA-N 1 0 454.663 3.267 20 0 JGADRO Cc1cccc(N2CCN(c3nnc(CC(C)C)n3CCCC[N@@H+]3CCC[C@H]3CO)CC2)c1 ZINC001304498368 1067573453 /nfs/dbraw/zinc/57/34/53/1067573453.db2.gz UTMIRHSXPCCTLR-DEOSSOPVSA-N 1 0 454.663 3.349 20 0 JGADRO Cc1cccc(C[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3CCCNC(=O)C(C)C)CC2)c1 ZINC001304499400 1067574573 /nfs/dbraw/zinc/57/45/73/1067574573.db2.gz YBVYDPPPTQNEAI-UHFFFAOYSA-N 1 0 475.641 3.441 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303022889 1067575023 /nfs/dbraw/zinc/57/50/23/1067575023.db2.gz SFXCYQYICMEZIV-IEZKXTBUSA-N 1 0 463.667 3.180 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2CC[N@@H+]3CCCC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303022888 1067575066 /nfs/dbraw/zinc/57/50/66/1067575066.db2.gz SFXCYQYICMEZIV-GVXSCFBNSA-N 1 0 463.667 3.180 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CC3CC(F)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001304502341 1067576643 /nfs/dbraw/zinc/57/66/43/1067576643.db2.gz PKIODRZOLJHIAW-UHFFFAOYSA-N 1 0 458.626 3.376 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001304503764 1067577980 /nfs/dbraw/zinc/57/79/80/1067577980.db2.gz IXJBKSMKVUTGBO-QHCPKHFHSA-N 1 0 470.662 3.054 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC4(COC(=O)N4)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001304505605 1067579222 /nfs/dbraw/zinc/57/92/22/1067579222.db2.gz AANSSUYPJATPFP-UHFFFAOYSA-N 1 0 470.618 3.363 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001304506076 1067579750 /nfs/dbraw/zinc/57/97/50/1067579750.db2.gz IWWZZHNGEGPDCF-UHFFFAOYSA-N 1 0 468.646 3.379 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[NH+]2CCCCCC2)c1 ZINC001304507312 1067581110 /nfs/dbraw/zinc/58/11/10/1067581110.db2.gz QCCFGUXARCEOIF-UHFFFAOYSA-N 1 0 475.659 3.055 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCCCC[NH+]2CCCCC2)c1 ZINC001304507881 1067581943 /nfs/dbraw/zinc/58/19/43/1067581943.db2.gz LKDTYASBEUGLHN-QFIPXVFZSA-N 1 0 468.646 3.489 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(N4CCCCC4=O)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304508442 1067582450 /nfs/dbraw/zinc/58/24/50/1067582450.db2.gz YWIJAYYAZQMUPK-HXUWFJFHSA-N 1 0 454.619 3.097 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001304509697 1067584086 /nfs/dbraw/zinc/58/40/86/1067584086.db2.gz HGLCKGTWCKZNEA-VSKRKVRLSA-N 1 0 468.646 3.235 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001304509535 1067584147 /nfs/dbraw/zinc/58/41/47/1067584147.db2.gz RSENMPOUFYRBIP-UHFFFAOYSA-N 1 0 464.614 3.141 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001304510414 1067584993 /nfs/dbraw/zinc/58/49/93/1067584993.db2.gz NYHBHZDZGNRFTL-LEWJYISDSA-N 1 0 454.619 3.132 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001304510736 1067585532 /nfs/dbraw/zinc/58/55/32/1067585532.db2.gz AVUJICXBAWXCNY-SWYRRKHMSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CC(=O)NC(C)C)c1 ZINC001304511410 1067586768 /nfs/dbraw/zinc/58/67/68/1067586768.db2.gz BOLDXXMAZIZPMI-UHFFFAOYSA-N 1 0 468.646 3.391 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001304511560 1067587495 /nfs/dbraw/zinc/58/74/95/1067587495.db2.gz FITAYJVCNNQCGX-FQEVSTJZSA-N 1 0 462.589 3.285 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CC=CCC2)c1 ZINC001304511644 1067587506 /nfs/dbraw/zinc/58/75/06/1067587506.db2.gz QPXCXMVSPAOOFZ-UHFFFAOYSA-N 1 0 482.629 3.485 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(c4cnn(C)c4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001304511898 1067588166 /nfs/dbraw/zinc/58/81/66/1067588166.db2.gz JPVHNEZQNLARKH-QFIPXVFZSA-N 1 0 480.661 3.202 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCC[NH+]2CCCCC2)c1 ZINC001304513029 1067590307 /nfs/dbraw/zinc/59/03/07/1067590307.db2.gz YINXBUYLHAKMMY-UHFFFAOYSA-N 1 0 462.589 3.429 20 0 JGADRO CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)cc2)cc1 ZINC001303049038 1067590327 /nfs/dbraw/zinc/59/03/27/1067590327.db2.gz AOGUYSYQBCCJRK-QHCPKHFHSA-N 1 0 451.567 3.208 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001304513806 1067591049 /nfs/dbraw/zinc/59/10/49/1067591049.db2.gz DQWHJKMLYMVHIX-QNWVGRARSA-N 1 0 468.646 3.199 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001303050177 1067591103 /nfs/dbraw/zinc/59/11/03/1067591103.db2.gz WOARSKYLHSWXDP-WOJBJXKFSA-N 1 0 481.645 3.174 20 0 JGADRO CC(C)CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303053930 1067593660 /nfs/dbraw/zinc/59/36/60/1067593660.db2.gz KFTPGVJHBCYBQQ-OYRHEFFESA-N 1 0 453.635 3.498 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CC[N@H+]1CC=CCC1 ZINC001304529017 1067601068 /nfs/dbraw/zinc/60/10/68/1067601068.db2.gz QRDGHUDNQYWTMC-UHFFFAOYSA-N 1 0 476.547 3.410 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304530069 1067601467 /nfs/dbraw/zinc/60/14/67/1067601467.db2.gz DVYGKEIYHJGPTJ-DEOSSOPVSA-N 1 0 456.660 3.173 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001304530573 1067602220 /nfs/dbraw/zinc/60/22/20/1067602220.db2.gz BKPVUDLRXBXQAR-FQEVSTJZSA-N 1 0 459.660 3.387 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001304532265 1067603717 /nfs/dbraw/zinc/60/37/17/1067603717.db2.gz NQEFCTAQYHQVRW-NRFANRHFSA-N 1 0 488.683 3.136 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304534883 1067605314 /nfs/dbraw/zinc/60/53/14/1067605314.db2.gz QQJLFABDEXQLHC-RXFWQSSRSA-N 1 0 484.645 3.156 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001304537368 1067608768 /nfs/dbraw/zinc/60/87/68/1067608768.db2.gz OYQHRPZVRZWAHS-FQEVSTJZSA-N 1 0 480.579 3.437 20 0 JGADRO O=C(Nc1ccccn1)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCCOCC(F)F ZINC001303077605 1067609971 /nfs/dbraw/zinc/60/99/71/1067609971.db2.gz AJFSCAPJNOWKNP-UHFFFAOYSA-N 1 0 477.560 3.052 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001304541926 1067612609 /nfs/dbraw/zinc/61/26/09/1067612609.db2.gz GLGVURJTGDJCNQ-ZRZAMGCNSA-N 1 0 496.700 3.489 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304542067 1067612851 /nfs/dbraw/zinc/61/28/51/1067612851.db2.gz HXMBNGSIYHZLPA-UHFFFAOYSA-N 1 0 489.668 3.051 20 0 JGADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001304542395 1067613344 /nfs/dbraw/zinc/61/33/44/1067613344.db2.gz JXJKMCIJMFXMRC-UHFFFAOYSA-N 1 0 480.682 3.470 20 0 JGADRO O=C(Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)NCC(F)F ZINC001303080437 1067614432 /nfs/dbraw/zinc/61/44/32/1067614432.db2.gz YMDKFJLDXYKEEV-UHFFFAOYSA-N 1 0 474.600 3.289 20 0 JGADRO Cc1ccccc1[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001304544757 1067615208 /nfs/dbraw/zinc/61/52/08/1067615208.db2.gz XZOSEBPDAGYOIP-AZUAARDMSA-N 1 0 468.627 3.106 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCCC1 ZINC001304546200 1067615677 /nfs/dbraw/zinc/61/56/77/1067615677.db2.gz DRJSGUPBRVHYEG-HSZRJFAPSA-N 1 0 473.687 3.457 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001304549186 1067618114 /nfs/dbraw/zinc/61/81/14/1067618114.db2.gz GQCHYGGOVGUGSQ-FCHUYYIVSA-N 1 0 452.647 3.499 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304549095 1067618122 /nfs/dbraw/zinc/61/81/22/1067618122.db2.gz DCPDZDOANHRDIP-NRFANRHFSA-N 1 0 461.676 3.026 20 0 JGADRO O=C(NCC(F)(F)F)[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCCC[NH+]2CCCC2)C1 ZINC001303086618 1067619802 /nfs/dbraw/zinc/61/98/02/1067619802.db2.gz KAFIBDWEGRUHAP-QGZVFWFLSA-N 1 0 467.540 3.044 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCNC(=O)C(C)(C)C ZINC001304551554 1067621049 /nfs/dbraw/zinc/62/10/49/1067621049.db2.gz BIIQGVUHCKPWHD-QFIPXVFZSA-N 1 0 452.647 3.404 20 0 JGADRO O=C(NCc1ccc(Cl)cc1)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCCCO ZINC001303087504 1067621086 /nfs/dbraw/zinc/62/10/86/1067621086.db2.gz GSUCWQLJYPGQFC-UHFFFAOYSA-N 1 0 475.037 3.089 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304554355 1067623702 /nfs/dbraw/zinc/62/37/02/1067623702.db2.gz WQGYWTHHSKDOSU-VWLOTQADSA-N 1 0 496.700 3.229 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001304557225 1067626000 /nfs/dbraw/zinc/62/60/00/1067626000.db2.gz RJLLXBYVIMVGBD-VWLOTQADSA-N 1 0 496.700 3.229 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001303090588 1067627496 /nfs/dbraw/zinc/62/74/96/1067627496.db2.gz YDBNFQIKYCRXAN-HXUWFJFHSA-N 1 0 489.686 3.332 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCCO[C@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304559965 1067629115 /nfs/dbraw/zinc/62/91/15/1067629115.db2.gz QAJMUJSTUPJMSK-JOCHJYFZSA-N 1 0 454.663 3.066 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCc3nn(C)c(=O)cc3C2)CC1 ZINC001303091990 1067629183 /nfs/dbraw/zinc/62/91/83/1067629183.db2.gz YTQCBCJLJNIPOO-UHFFFAOYSA-N 1 0 469.678 3.281 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001303095954 1067632094 /nfs/dbraw/zinc/63/20/94/1067632094.db2.gz QXIDGNIIFQSJDU-JOCHJYFZSA-N 1 0 489.686 3.478 20 0 JGADRO Cc1ccccc1CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304562560 1067632977 /nfs/dbraw/zinc/63/29/77/1067632977.db2.gz GKJWIOFRDXAODY-UHFFFAOYSA-N 1 0 491.562 3.321 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001303098788 1067636517 /nfs/dbraw/zinc/63/65/17/1067636517.db2.gz CXDBSDYAWUKSBX-UHFFFAOYSA-N 1 0 459.660 3.423 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001303099807 1067637906 /nfs/dbraw/zinc/63/79/06/1067637906.db2.gz AVHZQYIUHRUINB-NRFANRHFSA-N 1 0 478.645 3.437 20 0 JGADRO Cc1ccccc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001304570601 1067638335 /nfs/dbraw/zinc/63/83/35/1067638335.db2.gz FRHKVWVBOQPQIX-JOCHJYFZSA-N 1 0 467.662 3.373 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCSCC(F)(F)F)CC1 ZINC001304570642 1067638574 /nfs/dbraw/zinc/63/85/74/1067638574.db2.gz OBLBPRDFIKCXRL-UHFFFAOYSA-N 1 0 484.592 3.342 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCOCC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001303101261 1067639861 /nfs/dbraw/zinc/63/98/61/1067639861.db2.gz XOFFISVWBRXFLS-OAQYLSRUSA-N 1 0 457.619 3.175 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001303103467 1067642052 /nfs/dbraw/zinc/64/20/52/1067642052.db2.gz WWJNHRNGJXJWRQ-FQEVSTJZSA-N 1 0 454.619 3.133 20 0 JGADRO CCC1([NH+]2CCCCC2)CCN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CC1 ZINC001303104214 1067642503 /nfs/dbraw/zinc/64/25/03/1067642503.db2.gz WPLBSRMJLNSKOE-UHFFFAOYSA-N 1 0 456.612 3.175 20 0 JGADRO 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CC(C)COc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001303220417 1067757717 /nfs/dbraw/zinc/75/77/17/1067757717.db2.gz PNFFAGJAAAIQJR-QFIPXVFZSA-N 1 0 454.619 3.233 20 0 JGADRO Cc1nc(CN2CCCN(c3nnc(C(C)(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)CC2)no1 ZINC001304686781 1067759259 /nfs/dbraw/zinc/75/92/59/1067759259.db2.gz CZSQFGGCISSFKE-OAQYLSRUSA-N 1 0 472.682 3.490 20 0 JGADRO Cc1nc(CN2CCCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[N@@H+](CC(C)C)C3)CC2)no1 ZINC001304687242 1067759740 /nfs/dbraw/zinc/75/97/40/1067759740.db2.gz IPLGBWALHXFYHQ-OAQYLSRUSA-N 1 0 472.682 3.347 20 0 JGADRO Cc1nc(CN2CCCN(c3nnc(C(C)(C)C)n3CC3([NH+](C)C)CCCCC3)CC2)no1 ZINC001304687285 1067760169 /nfs/dbraw/zinc/76/01/69/1067760169.db2.gz JBKPPXAUHPEQEE-UHFFFAOYSA-N 1 0 458.655 3.244 20 0 JGADRO CC(C)CO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001303224318 1067760980 /nfs/dbraw/zinc/76/09/80/1067760980.db2.gz MWPUVKOOUTWPQJ-RDGATRHJSA-N 1 0 463.667 3.302 20 0 JGADRO Cc1ncc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001304690887 1067764179 /nfs/dbraw/zinc/76/41/79/1067764179.db2.gz NKIKPYYDGCNKNY-YDIMBITNSA-N 1 0 492.690 3.219 20 0 JGADRO Cc1ncc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCC(C)CC2)s1 ZINC001304690727 1067764206 /nfs/dbraw/zinc/76/42/06/1067764206.db2.gz HTZWMDZJJQHQNU-QHCPKHFHSA-N 1 0 462.664 3.452 20 0 JGADRO Cc1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H]2C)s1 ZINC001304693606 1067766595 /nfs/dbraw/zinc/76/65/95/1067766595.db2.gz LZYOSKMAMAUTJV-OAHLLOKOSA-N 1 0 459.645 3.155 20 0 JGADRO Cc1ncc(CN2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@@H](C)[NH+](C)C)CC2)s1 ZINC001304699072 1067769419 /nfs/dbraw/zinc/76/94/19/1067769419.db2.gz CVRWTTNATRNBQM-DUXKGJEZSA-N 1 0 475.707 3.234 20 0 JGADRO Cc1ncc(CN2CCN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC001304700357 1067770664 /nfs/dbraw/zinc/77/06/64/1067770664.db2.gz PCCCROQGPLSYIV-PMACEKPBSA-N 1 0 489.734 3.452 20 0 JGADRO Cc1nccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@@H+](C(C)C)C3)CC2)n1 ZINC001304702221 1067773679 /nfs/dbraw/zinc/77/36/79/1067773679.db2.gz QXSNIXZHTHBGDI-NRFANRHFSA-N 1 0 454.667 3.412 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001303254585 1067780080 /nfs/dbraw/zinc/78/00/80/1067780080.db2.gz BOAYXYAIMOZLEP-QHCPKHFHSA-N 1 0 468.646 3.152 20 0 JGADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001303255176 1067780906 /nfs/dbraw/zinc/78/09/06/1067780906.db2.gz YDAGFMFSTDPMME-DHIUTWEWSA-N 1 0 489.686 3.074 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCCc2ccccc2)CC1 ZINC001303255801 1067782160 /nfs/dbraw/zinc/78/21/60/1067782160.db2.gz CNEMEDSYTPHZFK-UHFFFAOYSA-N 1 0 475.641 3.256 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001303255952 1067782552 /nfs/dbraw/zinc/78/25/52/1067782552.db2.gz FLNLWVWAWVYKDL-UHFFFAOYSA-N 1 0 489.064 3.437 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCSC2)CC1 ZINC001303256288 1067783277 /nfs/dbraw/zinc/78/32/77/1067783277.db2.gz IYXSFJNBRYRJIR-OAQYLSRUSA-N 1 0 497.507 3.460 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303256764 1067783712 /nfs/dbraw/zinc/78/37/12/1067783712.db2.gz BRWXKGGPFYIONQ-FQEVSTJZSA-N 1 0 472.600 3.365 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303256655 1067783728 /nfs/dbraw/zinc/78/37/28/1067783728.db2.gz OAILTQBUTWGMGL-NRFANRHFSA-N 1 0 497.610 3.483 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCOCC2)CC1 ZINC001303257315 1067784215 /nfs/dbraw/zinc/78/42/15/1067784215.db2.gz FSXRGSVWRVJWNK-UHFFFAOYSA-N 1 0 472.653 3.287 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001304713119 1067784306 /nfs/dbraw/zinc/78/43/06/1067784306.db2.gz KMJWSHYXXMOKMV-FNZWTVRRSA-N 1 0 487.693 3.426 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001303258274 1067784902 /nfs/dbraw/zinc/78/49/02/1067784902.db2.gz LEGYYTUFKNXGSV-HXUWFJFHSA-N 1 0 478.588 3.426 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304713772 1067785046 /nfs/dbraw/zinc/78/50/46/1067785046.db2.gz PLOHYGQRUWWTEY-AVRWGWEMSA-N 1 0 470.666 3.011 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001303259301 1067785555 /nfs/dbraw/zinc/78/55/55/1067785555.db2.gz SRLGJFBCXXGXCF-UHFFFAOYSA-N 1 0 459.660 3.239 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001303261301 1067787162 /nfs/dbraw/zinc/78/71/62/1067787162.db2.gz DIYTVMDHLBKYDK-UHFFFAOYSA-N 1 0 495.603 3.095 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC[C@H]2C)CC1 ZINC001303261490 1067787467 /nfs/dbraw/zinc/78/74/67/1067787467.db2.gz KFRJCJVONAGBFI-OAQYLSRUSA-N 1 0 488.652 3.274 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC001303261610 1067787829 /nfs/dbraw/zinc/78/78/29/1067787829.db2.gz PCZXMSFIHYHLFE-UHFFFAOYSA-N 1 0 482.673 3.066 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001303261690 1067788426 /nfs/dbraw/zinc/78/84/26/1067788426.db2.gz RVQUAAKIILXSCQ-FYYLOGMGSA-N 1 0 497.688 3.296 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001303261776 1067789051 /nfs/dbraw/zinc/78/90/51/1067789051.db2.gz WHNSJBOHMQGQAV-QFIPXVFZSA-N 1 0 453.635 3.325 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001303261877 1067789107 /nfs/dbraw/zinc/78/91/07/1067789107.db2.gz ZXIAWRDAVWVNHS-FQEVSTJZSA-N 1 0 498.676 3.034 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001303263267 1067790182 /nfs/dbraw/zinc/79/01/82/1067790182.db2.gz ONXXDVWCPASXDB-UHFFFAOYSA-N 1 0 455.651 3.243 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Br)nnc1N(C)[C@@H](C)CC(N)=O ZINC001303262982 1067790384 /nfs/dbraw/zinc/79/03/84/1067790384.db2.gz LLFPRCGYWJCIEW-HNNXBMFYSA-N 1 0 451.413 3.138 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccn2C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304719047 1067790450 /nfs/dbraw/zinc/79/04/50/1067790450.db2.gz BXULPNDHGLXRKL-QZTJIDSGSA-N 1 0 468.650 3.158 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Br)c1 ZINC001303263440 1067790582 /nfs/dbraw/zinc/79/05/82/1067790582.db2.gz CSVJLAHMNHGPML-GOSISDBHSA-N 1 0 463.424 3.358 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001303264694 1067791890 /nfs/dbraw/zinc/79/18/90/1067791890.db2.gz WRZFSZRIVHKGSB-UHFFFAOYSA-N 1 0 482.551 3.131 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(C2CCC2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC001303264585 1067792088 /nfs/dbraw/zinc/79/20/88/1067792088.db2.gz LQIKYQOZMKNBBM-UHFFFAOYSA-N 1 0 471.625 3.176 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001303265090 1067792252 /nfs/dbraw/zinc/79/22/52/1067792252.db2.gz GJEKMJPSPXMWJY-NRFANRHFSA-N 1 0 458.582 3.242 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(C2CCCC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001303265398 1067792335 /nfs/dbraw/zinc/79/23/35/1067792335.db2.gz IEBHCAZADNIMCH-UHFFFAOYSA-N 1 0 460.652 3.373 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001303265218 1067792444 /nfs/dbraw/zinc/79/24/44/1067792444.db2.gz PCFIOZBJURGZOU-UHFFFAOYSA-N 1 0 470.666 3.028 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001303265038 1067792460 /nfs/dbraw/zinc/79/24/60/1067792460.db2.gz FHWQDVQFOKGMEM-QFIPXVFZSA-N 1 0 472.609 3.238 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001303266658 1067794217 /nfs/dbraw/zinc/79/42/17/1067794217.db2.gz SPXNDJASOQPHMV-UHFFFAOYSA-N 1 0 490.718 3.498 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1 ZINC001303269010 1067797314 /nfs/dbraw/zinc/79/73/14/1067797314.db2.gz PWELAGSWEFUZDP-BGYRXZFFSA-N 1 0 474.654 3.149 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001303268961 1067797456 /nfs/dbraw/zinc/79/74/56/1067797456.db2.gz VWICQJBDXVILIG-QHCPKHFHSA-N 1 0 464.010 3.237 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001304725313 1067797632 /nfs/dbraw/zinc/79/76/32/1067797632.db2.gz JCQSTYORJGYDLN-FQEVSTJZSA-N 1 0 456.683 3.196 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001303269242 1067797752 /nfs/dbraw/zinc/79/77/52/1067797752.db2.gz VBWKGUXWIZNTST-JKSUJKDBSA-N 1 0 451.413 3.239 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001303269195 1067797849 /nfs/dbraw/zinc/79/78/49/1067797849.db2.gz UAGZCLBZPYIXKT-HNNXBMFYSA-N 1 0 453.429 3.390 20 0 JGADRO Cc1nn(C)c(C)c1Cn1c(CCOc2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001304725742 1067798025 /nfs/dbraw/zinc/79/80/25/1067798025.db2.gz PPEWCWQXPIUKJV-UHFFFAOYSA-N 1 0 451.619 3.265 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001303269384 1067798303 /nfs/dbraw/zinc/79/83/03/1067798303.db2.gz WVNCRJLACSSKKD-KAOXLYBCSA-N 1 0 478.726 3.472 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304726081 1067798601 /nfs/dbraw/zinc/79/86/01/1067798601.db2.gz PCAWEKYQNZZXDB-UHFFFAOYSA-N 1 0 458.699 3.127 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001304726132 1067798738 /nfs/dbraw/zinc/79/87/38/1067798738.db2.gz VPXDUJOUKNQQDP-WIYYLYMNSA-N 1 0 498.651 3.180 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001303270026 1067798739 /nfs/dbraw/zinc/79/87/39/1067798739.db2.gz FLLLQMFZKMAKBH-UHFFFAOYSA-N 1 0 495.716 3.327 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001303270370 1067799238 /nfs/dbraw/zinc/79/92/38/1067799238.db2.gz JDUCUGCHTZYXNX-UHFFFAOYSA-N 1 0 498.031 3.480 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001303270930 1067799546 /nfs/dbraw/zinc/79/95/46/1067799546.db2.gz MTEIXUBQNLHQTN-ZHRRBRCNSA-N 1 0 451.974 3.462 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC001303271738 1067800541 /nfs/dbraw/zinc/80/05/41/1067800541.db2.gz TWMMFKAEZJLUNE-LJQANCHMSA-N 1 0 460.026 3.076 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001303271652 1067800820 /nfs/dbraw/zinc/80/08/20/1067800820.db2.gz QLVLQKYBRUGUEY-OAQYLSRUSA-N 1 0 464.408 3.044 20 0 JGADRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273181 1067801882 /nfs/dbraw/zinc/80/18/82/1067801882.db2.gz IDBQNHGEBMCLKG-JKSUJKDBSA-N 1 0 458.282 3.357 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001303275067 1067802180 /nfs/dbraw/zinc/80/21/80/1067802180.db2.gz RETGUDJQWDWOIL-SANMLTNESA-N 1 0 481.645 3.174 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnccn1 ZINC001303276018 1067803242 /nfs/dbraw/zinc/80/32/42/1067803242.db2.gz IJICEDLBZQFWKD-IBGZPJMESA-N 1 0 472.638 3.159 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC001303276325 1067803991 /nfs/dbraw/zinc/80/39/91/1067803991.db2.gz GFXMTEQXAHUHBC-UHFFFAOYSA-N 1 0 499.660 3.170 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001303276608 1067804003 /nfs/dbraw/zinc/80/40/03/1067804003.db2.gz IOXFASFUEMVDHK-UHFFFAOYSA-N 1 0 480.661 3.321 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001303276385 1067804097 /nfs/dbraw/zinc/80/40/97/1067804097.db2.gz LVWWUDMYHQNTGC-OAQYLSRUSA-N 1 0 459.610 3.370 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccsc2)CC1 ZINC001303276789 1067804674 /nfs/dbraw/zinc/80/46/74/1067804674.db2.gz OBCIDRNGPIBOHI-UHFFFAOYSA-N 1 0 470.618 3.372 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001303278215 1067805555 /nfs/dbraw/zinc/80/55/55/1067805555.db2.gz ZDIKKDIDPPDKIL-JOCHJYFZSA-N 1 0 461.054 3.164 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001303278226 1067806001 /nfs/dbraw/zinc/80/60/01/1067806001.db2.gz ZMCLLSMCBKXOPL-IBGZPJMESA-N 1 0 450.628 3.163 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2CCOC[C@H]2C1 ZINC001303278542 1067806927 /nfs/dbraw/zinc/80/69/27/1067806927.db2.gz IOLUVAWMSIWRGV-GOSISDBHSA-N 1 0 483.444 3.025 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001303278550 1067807151 /nfs/dbraw/zinc/80/71/51/1067807151.db2.gz IWGRHODXLYOKDQ-LJQANCHMSA-N 1 0 455.582 3.139 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001303278543 1067807176 /nfs/dbraw/zinc/80/71/76/1067807176.db2.gz IOLUVAWMSIWRGV-SFHVURJKSA-N 1 0 483.444 3.025 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001303278754 1067807692 /nfs/dbraw/zinc/80/76/92/1067807692.db2.gz OZLBGHPWBHIKSJ-JOCHJYFZSA-N 1 0 454.619 3.211 20 0 JGADRO CC(C)N(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCC(O)CC1 ZINC001303279770 1067808830 /nfs/dbraw/zinc/80/88/30/1067808830.db2.gz FARPLNYQYGIRQL-UHFFFAOYSA-N 1 0 495.603 3.326 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001304739435 1067813118 /nfs/dbraw/zinc/81/31/18/1067813118.db2.gz DWHYUDQVLVKBEA-PMOQBDJRSA-N 1 0 457.667 3.392 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C3CC[NH+](Cc4ccccc4)CC3)n2CCC(=O)NC(C)C)n1 ZINC001304739572 1067813652 /nfs/dbraw/zinc/81/36/52/1067813652.db2.gz HFQUQBPAKVTLSN-UHFFFAOYSA-N 1 0 492.672 3.155 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001304739700 1067813712 /nfs/dbraw/zinc/81/37/12/1067813712.db2.gz JSNNZINODKMFTR-PMOQBDJRSA-N 1 0 484.693 3.097 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304739702 1067814131 /nfs/dbraw/zinc/81/41/31/1067814131.db2.gz JSNNZINODKMFTR-UEVCKROQSA-N 1 0 484.693 3.097 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C ZINC001303290913 1067814745 /nfs/dbraw/zinc/81/47/45/1067814745.db2.gz HQIIDFAEPXGNIZ-QGZVFWFLSA-N 1 0 494.438 3.185 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001303290848 1067814851 /nfs/dbraw/zinc/81/48/51/1067814851.db2.gz FJOWQPNORVGJSY-NRFANRHFSA-N 1 0 478.645 3.341 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001304740372 1067815301 /nfs/dbraw/zinc/81/53/01/1067815301.db2.gz JKUTZJTVVQEOCQ-WIYYLYMNSA-N 1 0 486.690 3.193 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001304740370 1067815359 /nfs/dbraw/zinc/81/53/59/1067815359.db2.gz JKUTZJTVVQEOCQ-NQIIRXRSSA-N 1 0 486.690 3.193 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001304740369 1067815521 /nfs/dbraw/zinc/81/55/21/1067815521.db2.gz JKUTZJTVVQEOCQ-GHTZIAJQSA-N 1 0 486.690 3.193 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)C(C)C ZINC001303291466 1067816216 /nfs/dbraw/zinc/81/62/16/1067816216.db2.gz PRZDQOBEHMJASX-UHFFFAOYSA-N 1 0 472.682 3.423 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)CC1)C(C)C ZINC001303291960 1067817209 /nfs/dbraw/zinc/81/72/09/1067817209.db2.gz PXVQDBGQVOIFFV-QFIPXVFZSA-N 1 0 494.750 3.144 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304741168 1067817313 /nfs/dbraw/zinc/81/73/13/1067817313.db2.gz UISJGLSRBRIBIG-ZEQKJWHPSA-N 1 0 465.646 3.257 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C ZINC001303292529 1067817778 /nfs/dbraw/zinc/81/77/78/1067817778.db2.gz ICNFKKDQDISGJA-IBGZPJMESA-N 1 0 476.572 3.476 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1)C(C)C ZINC001303292372 1067817817 /nfs/dbraw/zinc/81/78/17/1067817817.db2.gz YHXTXTNOVUKOOY-FGZHOGPDSA-N 1 0 472.609 3.455 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCOC1)C(C)C ZINC001303292492 1067817918 /nfs/dbraw/zinc/81/79/18/1067817918.db2.gz GYZSXVGEGKFBGX-HXUWFJFHSA-N 1 0 477.675 3.330 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC001304741673 1067818406 /nfs/dbraw/zinc/81/84/06/1067818406.db2.gz ZJTHBNSCAXLAJV-FQEVSTJZSA-N 1 0 498.701 3.389 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=CCC1)C(C)C ZINC001303292721 1067818331 /nfs/dbraw/zinc/81/83/31/1067818331.db2.gz NJLNWKOFIWAFRE-UHFFFAOYSA-N 1 0 460.648 3.081 20 0 JGADRO CC(C)[NH+](CCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C2CCOCC2)C1)C(C)C ZINC001303292874 1067818706 /nfs/dbraw/zinc/81/87/06/1067818706.db2.gz SFQLQMLVWHTESF-QFIPXVFZSA-N 1 0 460.667 3.162 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CCN2CCOC[C@H]2C1)C(C)C ZINC001303295389 1067819313 /nfs/dbraw/zinc/81/93/13/1067819313.db2.gz DHDICLLWTJRZFX-LJQANCHMSA-N 1 0 491.478 3.347 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001303295320 1067819344 /nfs/dbraw/zinc/81/93/44/1067819344.db2.gz ARPUTYRVSSUYBK-FQEVSTJZSA-N 1 0 470.643 3.235 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)C ZINC001303296463 1067820154 /nfs/dbraw/zinc/82/01/54/1067820154.db2.gz HVXVSGIHQLSHDB-UHFFFAOYSA-N 1 0 497.109 3.113 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001304743065 1067820369 /nfs/dbraw/zinc/82/03/69/1067820369.db2.gz OFUUTGCCFCODEI-UHFFFAOYSA-N 1 0 474.057 3.428 20 0 JGADRO CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)nc3)CC2)CC1 ZINC001303296641 1067820517 /nfs/dbraw/zinc/82/05/17/1067820517.db2.gz CKPAOLOVKFXIHH-UHFFFAOYSA-N 1 0 468.694 3.080 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3COc4ccccc4O3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304743679 1067820738 /nfs/dbraw/zinc/82/07/38/1067820738.db2.gz NDRZELJMHVSACB-FQEVSTJZSA-N 1 0 467.618 3.004 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)C(C)C ZINC001303296927 1067820800 /nfs/dbraw/zinc/82/08/00/1067820800.db2.gz MXBRNMXSGWBLFY-VQTJNVASSA-N 1 0 463.529 3.380 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C(C)C ZINC001303296983 1067821084 /nfs/dbraw/zinc/82/10/84/1067821084.db2.gz NRWCLLRZUBXINF-HLIPFELVSA-N 1 0 492.517 3.319 20 0 JGADRO CC(C)[NH+](CCn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1)C(C)C ZINC001303297044 1067821229 /nfs/dbraw/zinc/82/12/29/1067821229.db2.gz GWJRCLJVERCZPE-UHFFFAOYSA-N 1 0 481.638 3.128 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnccn2)CC1 ZINC001303297098 1067821292 /nfs/dbraw/zinc/82/12/92/1067821292.db2.gz HYALSRYPVPHGGU-UHFFFAOYSA-N 1 0 455.994 3.260 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)C(C)C ZINC001303297615 1067821802 /nfs/dbraw/zinc/82/18/02/1067821802.db2.gz SABQMTYLBRAMKV-IBGZPJMESA-N 1 0 467.584 3.456 20 0 JGADRO CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N1CCC=C(Br)C1)C(C)C ZINC001303297952 1067822117 /nfs/dbraw/zinc/82/21/17/1067822117.db2.gz XLPJFZYDSNAAAH-UHFFFAOYSA-N 1 0 453.429 3.008 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccon1)C(C)C ZINC001303298030 1067822260 /nfs/dbraw/zinc/82/22/60/1067822260.db2.gz ZYWGVKNVXWGYIJ-HXUWFJFHSA-N 1 0 491.637 3.330 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001303298217 1067822533 /nfs/dbraw/zinc/82/25/33/1067822533.db2.gz JKRNITADTNXDJO-SFTDATJTSA-N 1 0 462.683 3.280 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1)C(C)C ZINC001303298632 1067823685 /nfs/dbraw/zinc/82/36/85/1067823685.db2.gz NKXDTHIUWQPPRO-PKTZIBPZSA-N 1 0 468.646 3.186 20 0 JGADRO CC(C)[NH+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001303298979 1067824120 /nfs/dbraw/zinc/82/41/20/1067824120.db2.gz PJMQSQSBLWSJQU-UHFFFAOYSA-N 1 0 470.666 3.186 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(Cc3cccs3)C[C@H]3CCCO3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304745182 1067824026 /nfs/dbraw/zinc/82/40/26/1067824026.db2.gz GQVSLQIREHEABX-WOJBJXKFSA-N 1 0 457.648 3.337 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001303301327 1067825201 /nfs/dbraw/zinc/82/52/01/1067825201.db2.gz GSOBCENVYRDYIR-HXUWFJFHSA-N 1 0 462.038 3.230 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCCCCO)CC1 ZINC001303301196 1067825284 /nfs/dbraw/zinc/82/52/84/1067825284.db2.gz BYQITAHGNMTJPN-UHFFFAOYSA-N 1 0 454.619 3.261 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001303301222 1067825318 /nfs/dbraw/zinc/82/53/18/1067825318.db2.gz DANIGMKUJSBFQX-UHFFFAOYSA-N 1 0 491.702 3.142 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCOCC2)CC1 ZINC001303301821 1067826060 /nfs/dbraw/zinc/82/60/60/1067826060.db2.gz RMRUURRNLFTQME-UHFFFAOYSA-N 1 0 498.853 3.433 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(F)c3)C(=O)C2)CC1 ZINC001303301772 1067826076 /nfs/dbraw/zinc/82/60/76/1067826076.db2.gz POKNTWMDCKJLJP-UHFFFAOYSA-N 1 0 486.636 3.094 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCO3)nnc2N(C)CCCOc2ccc(F)cc2)CC1 ZINC001303302086 1067826928 /nfs/dbraw/zinc/82/69/28/1067826928.db2.gz BDZXRFFPISQKAY-JOCHJYFZSA-N 1 0 475.609 3.409 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(Cl)cc3)nnc2Nc2ccn(C)n2)CC1 ZINC001303302418 1067827168 /nfs/dbraw/zinc/82/71/68/1067827168.db2.gz ISKMFGWKXLWCHU-UHFFFAOYSA-N 1 0 459.982 3.223 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001303302352 1067827221 /nfs/dbraw/zinc/82/72/21/1067827221.db2.gz IAKPIJRDLQMNDA-GOSISDBHSA-N 1 0 495.093 3.237 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001303302653 1067827722 /nfs/dbraw/zinc/82/77/22/1067827722.db2.gz AJSUUGNDRSMMPF-MRXNPFEDSA-N 1 0 467.540 3.147 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303302955 1067828199 /nfs/dbraw/zinc/82/81/99/1067828199.db2.gz CXBZTXCMDHPXBN-IPMKNSEASA-N 1 0 486.583 3.145 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)Nc4ccccc4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304748883 1067828555 /nfs/dbraw/zinc/82/85/55/1067828555.db2.gz NQVRASOXDFZXIQ-UHFFFAOYSA-N 1 0 478.645 3.335 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001303303443 1067828813 /nfs/dbraw/zinc/82/88/13/1067828813.db2.gz GYSVCMULAHDIBX-JOCHJYFZSA-N 1 0 483.661 3.441 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001303303231 1067828861 /nfs/dbraw/zinc/82/88/61/1067828861.db2.gz DRXWOAQKGHFAGB-YADHBBJMSA-N 1 0 460.667 3.335 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2F)C1 ZINC001303303164 1067828931 /nfs/dbraw/zinc/82/89/31/1067828931.db2.gz DCEJOPCBGXFKSH-UYAOXDASSA-N 1 0 458.582 3.004 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001303303459 1067829252 /nfs/dbraw/zinc/82/92/52/1067829252.db2.gz WBTDIYVBARNOCQ-LJQANCHMSA-N 1 0 466.552 3.278 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304749633 1067829597 /nfs/dbraw/zinc/82/95/97/1067829597.db2.gz GAHGTXQCVLRNAS-UFYCRDLUSA-N 1 0 483.583 3.416 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCOCC(F)F)CC1 ZINC001303303827 1067829799 /nfs/dbraw/zinc/82/97/99/1067829799.db2.gz ABOCSGZKBSADQW-UHFFFAOYSA-N 1 0 475.382 3.248 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001303303857 1067829998 /nfs/dbraw/zinc/82/99/98/1067829998.db2.gz AHWBFNPPSBSPPV-GUDVDZBRSA-N 1 0 458.573 3.323 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(CO)CC2)C1 ZINC001303304243 1067830268 /nfs/dbraw/zinc/83/02/68/1067830268.db2.gz FJJUQXSOEBBZPT-VSKRKVRLSA-N 1 0 490.693 3.378 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(N)=O)CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC001304750339 1067830442 /nfs/dbraw/zinc/83/04/42/1067830442.db2.gz CKBKZANFPTZJDP-NRFANRHFSA-N 1 0 492.672 3.361 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303304211 1067830650 /nfs/dbraw/zinc/83/06/50/1067830650.db2.gz MBIXZXQRBAJVMS-GOSISDBHSA-N 1 0 481.567 3.289 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304295 1067830979 /nfs/dbraw/zinc/83/09/79/1067830979.db2.gz NCGYNCQEWZRRRJ-MOPGFXCFSA-N 1 0 481.613 3.215 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001303304939 1067831774 /nfs/dbraw/zinc/83/17/74/1067831774.db2.gz LCNYXFVANHMFCE-GGAORHGYSA-N 1 0 452.647 3.241 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303304640 1067832233 /nfs/dbraw/zinc/83/22/33/1067832233.db2.gz IXEHKJNMMZLFOC-UXHICEINSA-N 1 0 465.689 3.064 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)OC4(CCOCC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304751951 1067832173 /nfs/dbraw/zinc/83/21/73/1067832173.db2.gz OGWVFHAACYMFEE-JOCHJYFZSA-N 1 0 473.666 3.033 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001303305052 1067832568 /nfs/dbraw/zinc/83/25/68/1067832568.db2.gz QTHKBSKWGVWOLD-UYAOXDASSA-N 1 0 459.038 3.310 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC001303305786 1067833413 /nfs/dbraw/zinc/83/34/13/1067833413.db2.gz WBJBKYRPEYBRRU-KGMZSHBCSA-N 1 0 467.643 3.229 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304753114 1067833914 /nfs/dbraw/zinc/83/39/14/1067833914.db2.gz WHENUWDHTSZUOP-RTBURBONSA-N 1 0 471.572 3.415 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001303307402 1067834918 /nfs/dbraw/zinc/83/49/18/1067834918.db2.gz DSSRCNJPTBEQEP-IBGZPJMESA-N 1 0 463.026 3.357 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@](C)(O)c2ccccc2)n1 ZINC001304754291 1067835736 /nfs/dbraw/zinc/83/57/36/1067835736.db2.gz LFSFDIDJSODWJV-VWLOTQADSA-N 1 0 451.619 3.014 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(Oc4ncccc4F)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304754757 1067836859 /nfs/dbraw/zinc/83/68/59/1067836859.db2.gz UUHMIARADXLFJM-UHFFFAOYSA-N 1 0 484.624 3.309 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOCc2ccccc2)CC1 ZINC001303309803 1067837630 /nfs/dbraw/zinc/83/76/30/1067837630.db2.gz HPJNHQWNCKPZOM-HSZRJFAPSA-N 1 0 489.686 3.098 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001304755318 1067837687 /nfs/dbraw/zinc/83/76/87/1067837687.db2.gz ALRQPIVJMYDRKC-YKSBVNFPSA-N 1 0 475.707 3.361 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001304755316 1067837705 /nfs/dbraw/zinc/83/77/05/1067837705.db2.gz ALRQPIVJMYDRKC-HYBUGGRVSA-N 1 0 475.707 3.361 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001303310367 1067838088 /nfs/dbraw/zinc/83/80/88/1067838088.db2.gz GIMOZZFABVSUDK-IBGZPJMESA-N 1 0 496.077 3.256 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCCO2)CC1 ZINC001303310761 1067838705 /nfs/dbraw/zinc/83/87/05/1067838705.db2.gz LFYYPNBGYWMYDL-HSALFYBXSA-N 1 0 462.639 3.148 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001303311069 1067839932 /nfs/dbraw/zinc/83/99/32/1067839932.db2.gz VHQSIZZUAPRYMX-LJQANCHMSA-N 1 0 450.628 3.007 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2[C@@H]2C[C@H]2CF)CC1 ZINC001303311245 1067840564 /nfs/dbraw/zinc/84/05/64/1067840564.db2.gz XJPFXBSHQSYSLL-IPMKNSEASA-N 1 0 466.602 3.038 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001303311819 1067840995 /nfs/dbraw/zinc/84/09/95/1067840995.db2.gz NOCJETINFRWVPJ-NRFANRHFSA-N 1 0 457.573 3.395 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](n4nc(C)cc4C)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304757180 1067841607 /nfs/dbraw/zinc/84/16/07/1067841607.db2.gz ZEOLDTKIWPYZEN-QFIPXVFZSA-N 1 0 453.639 3.135 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCO[C@H](C)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001304757991 1067841847 /nfs/dbraw/zinc/84/18/47/1067841847.db2.gz BREIOKAWXQBPOM-DENIHFKCSA-N 1 0 455.582 3.197 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(C3CCCC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001303313099 1067842206 /nfs/dbraw/zinc/84/22/06/1067842206.db2.gz MPTNDSNUPAPSPZ-UHFFFAOYSA-N 1 0 452.529 3.387 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NCC(F)F)CC1 ZINC001303316606 1067843885 /nfs/dbraw/zinc/84/38/85/1067843885.db2.gz GNSBQZKXVKIDQU-UHFFFAOYSA-N 1 0 491.370 3.076 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCCCO2)CC1 ZINC001303316819 1067844240 /nfs/dbraw/zinc/84/42/40/1067844240.db2.gz KENRQTZXPOEMNA-UXHICEINSA-N 1 0 462.639 3.450 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001303316958 1067844907 /nfs/dbraw/zinc/84/49/07/1067844907.db2.gz HOJUPCBTFLAXNE-UHFFFAOYSA-N 1 0 453.591 3.146 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001303317049 1067845397 /nfs/dbraw/zinc/84/53/97/1067845397.db2.gz OFXDNOPDRPSIEC-HXUWFJFHSA-N 1 0 498.569 3.467 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001303317402 1067845997 /nfs/dbraw/zinc/84/59/97/1067845997.db2.gz MJSNVJMQGLOLEZ-UHFFFAOYSA-N 1 0 475.519 3.179 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304760102 1067846370 /nfs/dbraw/zinc/84/63/70/1067846370.db2.gz OJXGRBMDJHBGMX-RTWAWAEBSA-N 1 0 496.626 3.333 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCSCC(F)(F)F)n1 ZINC001304760279 1067846385 /nfs/dbraw/zinc/84/63/85/1067846385.db2.gz PQJXILNYCJEIKE-UHFFFAOYSA-N 1 0 459.586 3.356 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCCCn2cc(Br)cn2)CC1 ZINC001303317620 1067846435 /nfs/dbraw/zinc/84/64/35/1067846435.db2.gz RALDYWHOWNQZLE-UHFFFAOYSA-N 1 0 487.450 3.234 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CCCNc3ccccn3)C2)CC1 ZINC001303317512 1067846481 /nfs/dbraw/zinc/84/64/81/1067846481.db2.gz XYVXQDZMRVFGDY-NRFANRHFSA-N 1 0 454.667 3.078 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3CCC[C@@H]3CCCCO3)CC2)C1 ZINC001303317718 1067846926 /nfs/dbraw/zinc/84/69/26/1067846926.db2.gz BNNLGKVMSFFNNR-XZOQPEGZSA-N 1 0 476.710 3.156 20 0 JGADRO 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487.737 3.121 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304912549 1067956394 /nfs/dbraw/zinc/95/63/94/1067956394.db2.gz QRZFSAIGYZOMRI-OTWHNJEPSA-N 1 0 474.675 3.339 20 0 JGADRO CC(C)NC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001303432447 1067956688 /nfs/dbraw/zinc/95/66/88/1067956688.db2.gz LLARZVQUZJOVNQ-UHFFFAOYSA-N 1 0 475.037 3.490 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001304913023 1067957135 /nfs/dbraw/zinc/95/71/35/1067957135.db2.gz SELZQVYEONTIOL-QHAWAJNXSA-N 1 0 460.667 3.132 20 0 JGADRO CC(C)[NH+](CCn1c(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nnc1C(C)(C)C)C(C)C ZINC001304914554 1067958679 /nfs/dbraw/zinc/95/86/79/1067958679.db2.gz URJWAPSNJAYKTB-DHIUTWEWSA-N 1 0 489.753 3.321 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc3ccccc3o2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001303435827 1067958780 /nfs/dbraw/zinc/95/87/80/1067958780.db2.gz FGVGAAOLHJDFQQ-LJQANCHMSA-N 1 0 468.602 3.153 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC[NH+]1CCSCC1 ZINC001303436819 1067961086 /nfs/dbraw/zinc/96/10/86/1067961086.db2.gz NTBXMUSYNFTIST-UHFFFAOYSA-N 1 0 471.458 3.262 20 0 JGADRO C[C@@H]1C[C@@H](C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCSCC2)C1 ZINC001304921452 1067962589 /nfs/dbraw/zinc/96/25/89/1067962589.db2.gz RMBBYKCVGMNSCT-AQNXPRMDSA-N 1 0 494.706 3.118 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001303440546 1067962835 /nfs/dbraw/zinc/96/28/35/1067962835.db2.gz GJQZXZJYCWQCKS-UHFFFAOYSA-N 1 0 475.641 3.259 20 0 JGADRO C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCSCC2)C1 ZINC001304921456 1067963000 /nfs/dbraw/zinc/96/30/00/1067963000.db2.gz RMBBYKCVGMNSCT-ZCNNSNEGSA-N 1 0 494.706 3.118 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303441560 1067963483 /nfs/dbraw/zinc/96/34/83/1067963483.db2.gz MXULLNRRIFAFHB-GMKZXUHWSA-N 1 0 482.673 3.434 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3ccccc3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001304922470 1067963568 /nfs/dbraw/zinc/96/35/68/1067963568.db2.gz AAPAWILHZLCFCL-NHCUHLMSSA-N 1 0 488.702 3.221 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001304922553 1067963646 /nfs/dbraw/zinc/96/36/46/1067963646.db2.gz BEJLJACIJZMUAB-WOJBJXKFSA-N 1 0 498.676 3.034 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3ccccc3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001304922471 1067963667 /nfs/dbraw/zinc/96/36/67/1067963667.db2.gz AAPAWILHZLCFCL-OYRHEFFESA-N 1 0 488.702 3.221 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304923393 1067964333 /nfs/dbraw/zinc/96/43/33/1067964333.db2.gz DWXMLSMVUCYCDY-VSKRKVRLSA-N 1 0 484.693 3.292 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3ccccc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001304923339 1067965147 /nfs/dbraw/zinc/96/51/47/1067965147.db2.gz CCJABUDQTAKTEK-SFTDATJTSA-N 1 0 488.702 3.173 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cccnc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001304923522 1067965491 /nfs/dbraw/zinc/96/54/91/1067965491.db2.gz BXIDRFIUJJGNJZ-SJBKTWHCSA-N 1 0 474.675 3.112 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccnc3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001304923634 1067965508 /nfs/dbraw/zinc/96/55/08/1067965508.db2.gz DIMYLYSSPMYMFJ-RTBURBONSA-N 1 0 465.568 3.392 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN2CCOCC2)C1 ZINC001304923760 1067965874 /nfs/dbraw/zinc/96/58/74/1067965874.db2.gz FLKHDPFJHIYYLU-WOJBJXKFSA-N 1 0 476.069 3.130 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)C1 ZINC001304923773 1067965881 /nfs/dbraw/zinc/96/58/81/1067965881.db2.gz FPPRSKJSGZXHPE-ROUUACIJSA-N 1 0 481.613 3.483 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304923979 1067966260 /nfs/dbraw/zinc/96/62/60/1067966260.db2.gz HZBCQNLGCNXLGO-ADAARDCZSA-N 1 0 466.696 3.025 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(C3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001304924069 1067966286 /nfs/dbraw/zinc/96/62/86/1067966286.db2.gz HFWYBHNQQNVODE-SVFBPWRDSA-N 1 0 476.666 3.253 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)CC2CCOCC2)C1 ZINC001304923983 1067966328 /nfs/dbraw/zinc/96/63/28/1067966328.db2.gz IBPMCBSWSFLOHZ-NHCUHLMSSA-N 1 0 460.667 3.135 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(C3CCCC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001304924764 1067967720 /nfs/dbraw/zinc/96/77/20/1067967720.db2.gz JPAONWIEANJFQV-ZVDOUQERSA-N 1 0 451.681 3.317 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccccc3F)nnc2N2CCNC(=O)CC2)C1 ZINC001304925026 1067968035 /nfs/dbraw/zinc/96/80/35/1067968035.db2.gz KMIAXTRDKXHIJM-WOJBJXKFSA-N 1 0 456.610 3.092 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccccc3F)nnc2N2CCNC(=O)CC2)C1 ZINC001304925022 1067968071 /nfs/dbraw/zinc/96/80/71/1067968071.db2.gz KMIAXTRDKXHIJM-BGYRXZFFSA-N 1 0 456.610 3.092 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001303447481 1067968170 /nfs/dbraw/zinc/96/81/70/1067968170.db2.gz GSSJXGBLTGESKC-PMACEKPBSA-N 1 0 488.080 3.118 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304925307 1067968625 /nfs/dbraw/zinc/96/86/25/1067968625.db2.gz LGMPDFMAOSXMFC-MQSCRBSSSA-N 1 0 474.694 3.427 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925303 1067968660 /nfs/dbraw/zinc/96/86/60/1067968660.db2.gz LGMPDFMAOSXMFC-FUPPJEDESA-N 1 0 474.694 3.427 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303448129 1067968989 /nfs/dbraw/zinc/96/89/89/1067968989.db2.gz NBJJFVKYLDALSF-KRWDZBQOSA-N 1 0 481.428 3.078 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304925875 1067969422 /nfs/dbraw/zinc/96/94/22/1067969422.db2.gz PGRNQMUHKXCDGJ-NHCUHLMSSA-N 1 0 460.667 3.324 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001304925833 1067969482 /nfs/dbraw/zinc/96/94/82/1067969482.db2.gz PBCQYTRVKNEYBT-BBWFWOEESA-N 1 0 463.001 3.417 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304925852 1067969490 /nfs/dbraw/zinc/96/94/90/1067969490.db2.gz PDROFUZBYOTISK-BBWFWOEESA-N 1 0 494.482 3.114 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001304925839 1067969499 /nfs/dbraw/zinc/96/94/99/1067969499.db2.gz PBCQYTRVKNEYBT-IXDOHACOSA-N 1 0 463.001 3.417 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304925795 1067969521 /nfs/dbraw/zinc/96/95/21/1067969521.db2.gz OUEFQSSCSJVVTI-NHCUHLMSSA-N 1 0 455.651 3.336 20 0 JGADRO CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001303448458 1067969702 /nfs/dbraw/zinc/96/97/02/1067969702.db2.gz PJYLAXODLBUIBT-IRLDBZIGSA-N 1 0 463.630 3.298 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cnccn2)C1 ZINC001304926752 1067971252 /nfs/dbraw/zinc/97/12/52/1067971252.db2.gz HEBDSHCYNHUIGP-KDURUIRLSA-N 1 0 482.658 3.064 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cnccn2)C1 ZINC001304926753 1067971292 /nfs/dbraw/zinc/97/12/92/1067971292.db2.gz HEBDSHCYNHUIGP-OALUTQOASA-N 1 0 482.658 3.064 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cc4ccccc4o3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001304926831 1067971732 /nfs/dbraw/zinc/97/17/32/1067971732.db2.gz UAGFQQADEJCZRR-RTBURBONSA-N 1 0 488.658 3.045 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304926859 1067971747 /nfs/dbraw/zinc/97/17/47/1067971747.db2.gz UIVVOHIJNQBRLK-NHCUHLMSSA-N 1 0 487.718 3.168 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCS[C@H](C(C)C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304927213 1067972926 /nfs/dbraw/zinc/97/29/26/1067972926.db2.gz VVGCGNVZFRHSOQ-AQNXPRMDSA-N 1 0 450.697 3.362 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001304927240 1067972971 /nfs/dbraw/zinc/97/29/71/1067972971.db2.gz VVQZGDNBBLTLLJ-HLIPFELVSA-N 1 0 460.026 3.282 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccsc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001304927236 1067973008 /nfs/dbraw/zinc/97/30/08/1067973008.db2.gz SYKUBCFWLFBLPQ-IECBHUPTSA-N 1 0 458.676 3.390 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCNC(=O)CC2)C1 ZINC001304927334 1067973317 /nfs/dbraw/zinc/97/33/17/1067973317.db2.gz ULQGYOFPCCDFDW-RTBURBONSA-N 1 0 474.600 3.232 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304927388 1067973360 /nfs/dbraw/zinc/97/33/60/1067973360.db2.gz UVOVRAZCWGRHSL-TXTKFYIRSA-N 1 0 468.646 3.275 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H]2CCSC2)C1 ZINC001304927684 1067973821 /nfs/dbraw/zinc/97/38/21/1067973821.db2.gz XTTQFIAKYXQRJR-GUDVDZBRSA-N 1 0 457.648 3.235 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCOC(C)(C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001304927859 1067973973 /nfs/dbraw/zinc/97/39/73/1067973973.db2.gz KPITXLNAXGFCRN-BKSPAHHJSA-N 1 0 463.667 3.302 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001304927821 1067974244 /nfs/dbraw/zinc/97/42/44/1067974244.db2.gz YAQUPSXREFUVFM-PMACEKPBSA-N 1 0 470.666 3.271 20 0 JGADRO C[C@@H]1C[C@@H](C)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001304927791 1067974351 /nfs/dbraw/zinc/97/43/51/1067974351.db2.gz SJURWVAMDQMYPY-YVHKJVDXSA-N 1 0 462.689 3.189 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCOC(C)(C)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001304927868 1067974680 /nfs/dbraw/zinc/97/46/80/1067974680.db2.gz KPITXLNAXGFCRN-TYBLODHISA-N 1 0 463.667 3.302 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001304928105 1067975209 /nfs/dbraw/zinc/97/52/09/1067975209.db2.gz MHGXMBKJLLGISK-JSXRDJHFSA-N 1 0 465.708 3.421 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccncc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001304928306 1067975730 /nfs/dbraw/zinc/97/57/30/1067975730.db2.gz ZNDKTWMOHIFPJF-XJUOHMSHSA-N 1 0 488.702 3.035 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N2CC(C)(C)OC[C@@H]2C)C1 ZINC001304928618 1067976616 /nfs/dbraw/zinc/97/66/16/1067976616.db2.gz VOQRNUSUXIFVCA-ACRUOGEOSA-N 1 0 460.667 3.276 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001304928891 1067976977 /nfs/dbraw/zinc/97/69/77/1067976977.db2.gz RGSBFRCBSQREMJ-YPAWHYETSA-N 1 0 496.766 3.343 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC(F)(F)C2)CC1 ZINC001303462544 1067981817 /nfs/dbraw/zinc/98/18/17/1067981817.db2.gz FTOAXVZQOSAWRU-UHFFFAOYSA-N 1 0 496.628 3.208 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC001303462924 1067982254 /nfs/dbraw/zinc/98/22/54/1067982254.db2.gz LKQOUSJXNAZLHV-RUZDIDTESA-N 1 0 498.031 3.453 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2ccn(C)n2)CC1 ZINC001303462670 1067982303 /nfs/dbraw/zinc/98/23/03/1067982303.db2.gz HURFDWLUXNHWOX-UHFFFAOYSA-N 1 0 458.408 3.456 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(C3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001303464392 1067983382 /nfs/dbraw/zinc/98/33/82/1067983382.db2.gz BMGKJTUZFZTQCW-UHFFFAOYSA-N 1 0 454.619 3.428 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCSC(C)C)CC1 ZINC001303464995 1067983800 /nfs/dbraw/zinc/98/38/00/1067983800.db2.gz KRYJGYWBWTZKFO-UHFFFAOYSA-N 1 0 469.659 3.300 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC001303464959 1067983807 /nfs/dbraw/zinc/98/38/07/1067983807.db2.gz JLNADHBFSHYNKU-QHCPKHFHSA-N 1 0 455.994 3.263 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCn2cnnn2)CC1 ZINC001303464721 1067983861 /nfs/dbraw/zinc/98/38/61/1067983861.db2.gz LIXCDCJEFDUVDF-UHFFFAOYSA-N 1 0 451.623 3.286 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001303465211 1067984333 /nfs/dbraw/zinc/98/43/33/1067984333.db2.gz MYIRAMDPJLAERQ-NQIIRXRSSA-N 1 0 484.649 3.347 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303465418 1067984339 /nfs/dbraw/zinc/98/43/39/1067984339.db2.gz PPVIDFWDDLFVGP-IBGZPJMESA-N 1 0 484.649 3.349 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001303465283 1067984413 /nfs/dbraw/zinc/98/44/13/1067984413.db2.gz HKYVGGRMBWQCFI-RUZDIDTESA-N 1 0 452.578 3.278 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001303466952 1067985542 /nfs/dbraw/zinc/98/55/42/1067985542.db2.gz WAAJQBLIIUMNFM-UHFFFAOYSA-N 1 0 476.629 3.373 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303466918 1067985561 /nfs/dbraw/zinc/98/55/61/1067985561.db2.gz VAAHRDNCJWEIMY-UHFFFAOYSA-N 1 0 475.641 3.175 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC2CC2)CC1 ZINC001303467665 1067986499 /nfs/dbraw/zinc/98/64/99/1067986499.db2.gz DOXZFMLXRCSLQM-UHFFFAOYSA-N 1 0 461.010 3.004 20 0 JGADRO C[C@H]1C[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CC[NH+](CCn3cccn3)CC2)CCO1 ZINC001304939621 1067988771 /nfs/dbraw/zinc/98/87/71/1067988771.db2.gz AICLKAHHVWPVJK-LEWJYISDSA-N 1 0 457.667 3.479 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)c3ccc([S@@](C)=O)cc3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001303473507 1067992320 /nfs/dbraw/zinc/99/23/20/1067992320.db2.gz ACFDVLQGEPZRAT-MXYPXECUSA-N 1 0 477.675 3.204 20 0 JGADRO C[NH+](C)CC[C@H]1CCN(C(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)C1 ZINC001303478763 1067998208 /nfs/dbraw/zinc/99/82/08/1067998208.db2.gz PCLKLWSBWKVFRJ-LBPRGKRZSA-N 1 0 455.378 3.094 20 0 JGADRO C[C@H]1C[C@@H](N(C)c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304947062 1067998673 /nfs/dbraw/zinc/99/86/73/1067998673.db2.gz FJMFWNDAHZHOJJ-UNMCSNQZSA-N 1 0 490.718 3.247 20 0 JGADRO C[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001304952744 1068001086 /nfs/dbraw/zinc/00/10/86/1068001086.db2.gz QUEYDYMUVVAFHK-QPPBQGQZSA-N 1 0 496.681 3.188 20 0 JGADRO C[C@H]1C[C@@H](N(C)c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304953212 1068001205 /nfs/dbraw/zinc/00/12/05/1068001205.db2.gz RDDXUVMWXGIQQG-REWPJTCUSA-N 1 0 488.702 3.316 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCOC1 ZINC001303482449 1068004504 /nfs/dbraw/zinc/00/45/04/1068004504.db2.gz ZQFWDJMBHNJOTD-DHLKQENFSA-N 1 0 485.608 3.131 20 0 JGADRO C[C@@H]1C[C@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001304961856 1068005647 /nfs/dbraw/zinc/00/56/47/1068005647.db2.gz POBQPSOYBKCRJM-GUDVDZBRSA-N 1 0 462.639 3.478 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)C3CCC(C)CC3)n2CC[NH+]2CCSCC2)CCOC1 ZINC001304969695 1068010436 /nfs/dbraw/zinc/01/04/36/1068010436.db2.gz MAWUSSPKPAUERA-XPJNUEMQSA-N 1 0 451.681 3.382 20 0 JGADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(C)CC1)C[NH+]1CCCCC1 ZINC001304971426 1068011776 /nfs/dbraw/zinc/01/17/76/1068011776.db2.gz XLCPPOWRXAPQLT-NUVZVAJJSA-N 1 0 454.685 3.025 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC001303488260 1068011939 /nfs/dbraw/zinc/01/19/39/1068011939.db2.gz AVJZXULQLBSVGG-ZEQRLZLVSA-N 1 0 481.707 3.150 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2CCC[NH+](C(C)C)C(C)C)CCOC1 ZINC001303488981 1068012714 /nfs/dbraw/zinc/01/27/14/1068012714.db2.gz HGCOAFZCDWMPNV-SLJHHMTISA-N 1 0 477.694 3.425 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCCC2)CCOC1 ZINC001303489376 1068013291 /nfs/dbraw/zinc/01/32/91/1068013291.db2.gz JXPGSARIXNJYPT-NPPFBWRTSA-N 1 0 489.583 3.349 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](c2ccco2)[NH+](C)C)CCOC1 ZINC001303489709 1068013818 /nfs/dbraw/zinc/01/38/18/1068013818.db2.gz MCIODQIXMCXREF-KHCICDEESA-N 1 0 461.607 3.218 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+](C)C2CCCC2)CCOC1 ZINC001303489566 1068013879 /nfs/dbraw/zinc/01/38/79/1068013879.db2.gz LDPXIEXUSMZWMK-LQBOVUBWSA-N 1 0 489.583 3.349 20 0 JGADRO CC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304973968 1068013955 /nfs/dbraw/zinc/01/39/55/1068013955.db2.gz DDKJRZYLASVINV-XABBQPORSA-N 1 0 460.667 3.477 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001304974627 1068014228 /nfs/dbraw/zinc/01/42/28/1068014228.db2.gz KIGQXEROHQBRAZ-YZDRJCRTSA-N 1 0 451.681 3.316 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)CCOC1 ZINC001303490159 1068015008 /nfs/dbraw/zinc/01/50/08/1068015008.db2.gz RHRXTSSWVOHHDL-NBGIEHNGSA-N 1 0 463.667 3.302 20 0 JGADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(C)(C)O)CC1 ZINC001304977018 1068015569 /nfs/dbraw/zinc/01/55/69/1068015569.db2.gz PERWAWSHKHRZLC-OALUTQOASA-N 1 0 476.069 3.149 20 0 JGADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(-c3cccnc3)n2CC(F)(F)Br)CC1 ZINC001304977106 1068015830 /nfs/dbraw/zinc/01/58/30/1068015830.db2.gz QATASPWRFRHLHQ-IAGOWNOFSA-N 1 0 498.420 3.323 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)CCOC1 ZINC001303490740 1068015927 /nfs/dbraw/zinc/01/59/27/1068015927.db2.gz QEQKMJUXFATPON-ZFGGDYGUSA-N 1 0 451.656 3.441 20 0 JGADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(-c3cccnc3)n2CC(F)(F)Br)CC1 ZINC001304977105 1068016061 /nfs/dbraw/zinc/01/60/61/1068016061.db2.gz QATASPWRFRHLHQ-CALCHBBNSA-N 1 0 498.420 3.323 20 0 JGADRO CC1CCC(N(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001304979630 1068017747 /nfs/dbraw/zinc/01/77/47/1068017747.db2.gz RRLMXBWIBGBLKZ-CHJDIFOWSA-N 1 0 476.666 3.432 20 0 JGADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001303493141 1068018178 /nfs/dbraw/zinc/01/81/78/1068018178.db2.gz HAWZZNMJFXLKAQ-DPLHUUCSSA-N 1 0 477.671 3.179 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCOC(C)(C)[C@H]2C)([NH+](C)C)C1 ZINC001304981771 1068021890 /nfs/dbraw/zinc/02/18/90/1068021890.db2.gz AVEDKBHPWLXHEZ-MPCDZSKCSA-N 1 0 469.634 3.440 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC(CCCO)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCOC1 ZINC001303495933 1068022048 /nfs/dbraw/zinc/02/20/48/1068022048.db2.gz SEPXPBMRIYVYBF-OZXSUGGESA-N 1 0 477.694 3.428 20 0 JGADRO COc1cc(/C=C\C(=O)NC[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc(Br)c1O ZINC001303496383 1068022785 /nfs/dbraw/zinc/02/27/85/1068022785.db2.gz WSAUPTSBZMCMKE-KINGKOSLSA-N 1 0 453.377 3.184 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304983205 1068025148 /nfs/dbraw/zinc/02/51/48/1068025148.db2.gz JOZXGBDEGDQWFB-NXMSCROESA-N 1 0 491.658 3.054 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCS1 ZINC001304984115 1068026352 /nfs/dbraw/zinc/02/63/52/1068026352.db2.gz GAXAOJHHCKGMRN-NMMYMHLASA-N 1 0 462.708 3.489 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2cccc(N(C)C)c2)CCOC1 ZINC001303500989 1068028304 /nfs/dbraw/zinc/02/83/04/1068028304.db2.gz KOHPCVAXKXUZHE-AREMUKBSSA-N 1 0 470.662 3.354 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304984929 1068028444 /nfs/dbraw/zinc/02/84/44/1068028444.db2.gz IRIVRYWDVFPQGN-OTAOWNHYSA-N 1 0 470.618 3.001 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CCC[C@H]3C(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303501307 1068029459 /nfs/dbraw/zinc/02/94/59/1068029459.db2.gz MTAZWTCRUKWHPK-OTNCWRBYSA-N 1 0 463.667 3.444 20 0 JGADRO C[C@H]1CCc2sc(-c3nnc(N4CCC[C@@H](C(N)=O)C4)n3CC(C)(C)C[NH+](C)C)cc2C1 ZINC001304987078 1068029900 /nfs/dbraw/zinc/02/99/00/1068029900.db2.gz YIRAITGHVGXPRW-DLBZAZTESA-N 1 0 458.676 3.421 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(OC(C)(C)C)CC2)([NH+](C)C)C1 ZINC001304989853 1068032071 /nfs/dbraw/zinc/03/20/71/1068032071.db2.gz SGZSYJVTEVQAFE-UMEGOILYSA-N 1 0 495.734 3.475 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001304990344 1068032396 /nfs/dbraw/zinc/03/23/96/1068032396.db2.gz ULQAILWWNOIZTB-YTZAWJCFSA-N 1 0 495.640 3.281 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CCc2c(F)cccc2F)CCOC1 ZINC001303502639 1068032642 /nfs/dbraw/zinc/03/26/42/1068032642.db2.gz OAOSUOGVIRUQEK-DEOSSOPVSA-N 1 0 463.573 3.370 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CCc2c(F)cccc2F)CCOC1 ZINC001303502640 1068032746 /nfs/dbraw/zinc/03/27/46/1068032746.db2.gz OAOSUOGVIRUQEK-XMMPIXPASA-N 1 0 463.573 3.370 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001303502599 1068032989 /nfs/dbraw/zinc/03/29/89/1068032989.db2.gz OANXFCOCXWBTBY-RXVVDRJESA-N 1 0 477.572 3.207 20 0 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C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001305097018 1068163899 /nfs/dbraw/zinc/16/38/99/1068163899.db2.gz VDAHAOBVZYZYIF-LEWJYISDSA-N 1 0 468.646 3.066 20 0 JGADRO C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001305100640 1068167453 /nfs/dbraw/zinc/16/74/53/1068167453.db2.gz YTDRIDDLAUSYSY-VQTJNVASSA-N 1 0 487.718 3.026 20 0 JGADRO CC1CC[NH+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001305102014 1068167860 /nfs/dbraw/zinc/16/78/60/1068167860.db2.gz MBEVDSLOVNFDRK-UHFFFAOYSA-N 1 0 489.686 3.476 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001305102522 1068168959 /nfs/dbraw/zinc/16/89/59/1068168959.db2.gz TYXWDMITKVWGHL-FCHUYYIVSA-N 1 0 460.667 3.035 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305103312 1068170423 /nfs/dbraw/zinc/17/04/23/1068170423.db2.gz FCQPBIOFLFIJFN-PMACEKPBSA-N 1 0 472.609 3.346 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103319 1068170443 /nfs/dbraw/zinc/17/04/43/1068170443.db2.gz FHXXRPPWRNSJIV-DENIHFKCSA-N 1 0 492.665 3.491 20 0 JGADRO CC1CC[NH+](CCn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001305105502 1068173148 /nfs/dbraw/zinc/17/31/48/1068173148.db2.gz AZXLVCGVZRRFNC-UHFFFAOYSA-N 1 0 475.439 3.148 20 0 JGADRO C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001305105400 1068173208 /nfs/dbraw/zinc/17/32/08/1068173208.db2.gz FBLAKITYFMCFDA-GHTZIAJQSA-N 1 0 475.037 3.299 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001305105808 1068173555 /nfs/dbraw/zinc/17/35/55/1068173555.db2.gz FJCOFXBZISTZKG-KRWDZBQOSA-N 1 0 454.040 3.200 20 0 JGADRO CC(C)C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001305106012 1068174097 /nfs/dbraw/zinc/17/40/97/1068174097.db2.gz GGXGZYVCGGSJAC-PKTZIBPZSA-N 1 0 474.694 3.283 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305106055 1068174105 /nfs/dbraw/zinc/17/41/05/1068174105.db2.gz GOVQYTPEANWXLW-IBGZPJMESA-N 1 0 487.615 3.001 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC1CCCC1 ZINC001305106656 1068174792 /nfs/dbraw/zinc/17/47/92/1068174792.db2.gz HFLFRDSCPZUZIR-PZJWPPBQSA-N 1 0 466.696 3.027 20 0 JGADRO C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001303647861 1068175659 /nfs/dbraw/zinc/17/56/59/1068175659.db2.gz XVNOBRGJKMLOCP-HNNXBMFYSA-N 1 0 456.368 3.229 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001303648102 1068176190 /nfs/dbraw/zinc/17/61/90/1068176190.db2.gz GUWNMFPTDVEMKK-YLJYHZDGSA-N 1 0 478.626 3.195 20 0 JGADRO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H]1C ZINC001305107575 1068176335 /nfs/dbraw/zinc/17/63/35/1068176335.db2.gz JRAYLTMAITVVKZ-DYXWJJEUSA-N 1 0 472.609 3.174 20 0 JGADRO CC1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001305108400 1068177411 /nfs/dbraw/zinc/17/74/11/1068177411.db2.gz SHDPWAKUMVTKGS-HXUWFJFHSA-N 1 0 486.665 3.152 20 0 JGADRO CC1CC[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001305109252 1068179439 /nfs/dbraw/zinc/17/94/39/1068179439.db2.gz QGXIOVPPPGNQTD-UHFFFAOYSA-N 1 0 498.594 3.374 20 0 JGADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CCOC(C)(C)C)C2)CC1 ZINC001305110077 1068180705 /nfs/dbraw/zinc/18/07/05/1068180705.db2.gz VRKJCYXAGIQGEI-OAQYLSRUSA-N 1 0 460.667 3.278 20 0 JGADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CC[NH+]1CCC(C)CC1 ZINC001305110017 1068180709 /nfs/dbraw/zinc/18/07/09/1068180709.db2.gz BTNPSWIPCMTHQA-SFTDATJTSA-N 1 0 461.676 3.053 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305110162 1068180799 /nfs/dbraw/zinc/18/07/99/1068180799.db2.gz XOTZTSQFVVCSJS-UHFFFAOYSA-N 1 0 482.673 3.416 20 0 JGADRO CC1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305110435 1068181153 /nfs/dbraw/zinc/18/11/53/1068181153.db2.gz KEFZVEOPZATBDR-JOCHJYFZSA-N 1 0 483.661 3.489 20 0 JGADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(-c4ccccn4)n3CCSCCCO)C2)CC1 ZINC001305110568 1068181771 /nfs/dbraw/zinc/18/17/71/1068181771.db2.gz ZRWYDXWIRLCVKG-NRFANRHFSA-N 1 0 458.676 3.404 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCC(C)CC1 ZINC001305111137 1068182369 /nfs/dbraw/zinc/18/23/69/1068182369.db2.gz WUYZCQAROZLCJG-UHFFFAOYSA-N 1 0 465.646 3.221 20 0 JGADRO C[C@H]1C[NH+](C(C)(C)Cn2c(N3CCN(C(=O)c4ccccc4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305111263 1068182784 /nfs/dbraw/zinc/18/27/84/1068182784.db2.gz ALXSFMSONXWGDQ-SFTDATJTSA-N 1 0 482.673 3.426 20 0 JGADRO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@@H]1C ZINC001305111287 1068182831 /nfs/dbraw/zinc/18/28/31/1068182831.db2.gz AWJGMIGRTHRBKB-INDMIFKZSA-N 1 0 474.675 3.250 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1([NH+](C)C)CCC1 ZINC001303653078 1068183842 /nfs/dbraw/zinc/18/38/42/1068183842.db2.gz MMDFWERXSUGKFS-GOSISDBHSA-N 1 0 456.635 3.339 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N(C)Cc3ccc(C(N)=O)cc3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305111723 1068184046 /nfs/dbraw/zinc/18/40/46/1068184046.db2.gz FVHJMXVKITXOQU-HDICACEKSA-N 1 0 456.635 3.199 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC(CCCO)CC2)C[C@H](C)O1 ZINC001305111822 1068184829 /nfs/dbraw/zinc/18/48/29/1068184829.db2.gz DBCWBKGZRABLSG-BGYRXZFFSA-N 1 0 456.635 3.217 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001305112159 1068185198 /nfs/dbraw/zinc/18/51/98/1068185198.db2.gz JMAGCKNFZHFOIZ-SJBKTWHCSA-N 1 0 456.635 3.013 20 0 JGADRO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1CC[NH+]1CCCCC1 ZINC001303654818 1068186619 /nfs/dbraw/zinc/18/66/19/1068186619.db2.gz YDFYNGAGLYQMDR-OAHLLOKOSA-N 1 0 469.417 3.350 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC001305112393 1068186709 /nfs/dbraw/zinc/18/67/09/1068186709.db2.gz LKHRHEBKENBQQV-KDURUIRLSA-N 1 0 470.662 3.490 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccccc2)C[C@H](C)O1 ZINC001305112568 1068187377 /nfs/dbraw/zinc/18/73/77/1068187377.db2.gz MRYDDEUVFAYHTM-HBMCJLEFSA-N 1 0 457.619 3.185 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3CCO[C@@H](c4nccs4)C3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305113035 1068188709 /nfs/dbraw/zinc/18/87/09/1068188709.db2.gz QRZSAMDXNXZBLT-KZNAEPCWSA-N 1 0 462.664 3.498 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCn2cccn2)C[C@H](C)O1 ZINC001305113132 1068189170 /nfs/dbraw/zinc/18/91/70/1068189170.db2.gz SAQOGVZTOMYVKO-BGYRXZFFSA-N 1 0 469.609 3.229 20 0 JGADRO C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303662336 1068193464 /nfs/dbraw/zinc/19/34/64/1068193464.db2.gz DXAYYBYTDIDLIH-PMACEKPBSA-N 1 0 469.634 3.441 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[C@H](C)c1ccccc1 ZINC001303662999 1068194062 /nfs/dbraw/zinc/19/40/62/1068194062.db2.gz JUAYGMJUPMUGLM-RBUKOAKNSA-N 1 0 462.664 3.003 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC001303663266 1068195128 /nfs/dbraw/zinc/19/51/28/1068195128.db2.gz BCWTYSHIMYNSIX-KNQAVFIVSA-N 1 0 454.619 3.003 20 0 JGADRO C[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC001303663265 1068195142 /nfs/dbraw/zinc/19/51/42/1068195142.db2.gz BCWTYSHIMYNSIX-DENIHFKCSA-N 1 0 454.619 3.003 20 0 JGADRO C[C@@H](CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303664482 1068197466 /nfs/dbraw/zinc/19/74/66/1068197466.db2.gz LEYLKRKZWHELLI-SFHVURJKSA-N 1 0 491.562 3.483 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001305118299 1068199274 /nfs/dbraw/zinc/19/92/74/1068199274.db2.gz VLHRFZFFLYGJKP-SFHVURJKSA-N 1 0 459.038 3.454 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(Cc2ccc(Cl)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001305118298 1068199313 /nfs/dbraw/zinc/19/93/13/1068199313.db2.gz VLHRFZFFLYGJKP-GOSISDBHSA-N 1 0 459.038 3.454 20 0 JGADRO C[C@H](CCn1c([C@H]2CCCCO2)nnc1N1CC(=O)N(C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC001303666659 1068200527 /nfs/dbraw/zinc/20/05/27/1068200527.db2.gz DWCOMSWFPKXGLZ-KCZVDYSFSA-N 1 0 454.619 3.097 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC(C)(C)O1 ZINC001305119484 1068200748 /nfs/dbraw/zinc/20/07/48/1068200748.db2.gz CGLWJEBLPMGRKC-YLJYHZDGSA-N 1 0 481.576 3.371 20 0 JGADRO C[C@@H](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303667090 1068201561 /nfs/dbraw/zinc/20/15/61/1068201561.db2.gz FYJQOOAADLHMAF-FPOVZHCZSA-N 1 0 477.650 3.286 20 0 JGADRO C[C@@H](CCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667386 1068201859 /nfs/dbraw/zinc/20/18/59/1068201859.db2.gz RHUBOOSPOVBUIK-GOTSBHOMSA-N 1 0 487.737 3.363 20 0 JGADRO C[C@H](CCn1c(N2CCN(C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667327 1068201918 /nfs/dbraw/zinc/20/19/18/1068201918.db2.gz QRXGQMSTEOQECV-RPWUZVMVSA-N 1 0 498.716 3.402 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001305120725 1068202650 /nfs/dbraw/zinc/20/26/50/1068202650.db2.gz GBCAFRQQQPRVDJ-UOAUAQBLSA-N 1 0 486.636 3.306 20 0 JGADRO C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303668006 1068202947 /nfs/dbraw/zinc/20/29/47/1068202947.db2.gz WQSWRWSCDNVFOR-AKIFATBCSA-N 1 0 489.686 3.444 20 0 JGADRO C[C@H](CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCCCC1 ZINC001303668591 1068203026 /nfs/dbraw/zinc/20/30/26/1068203026.db2.gz NXJMKLZNWYOXOE-DENIHFKCSA-N 1 0 454.619 3.172 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC001303668791 1068203354 /nfs/dbraw/zinc/20/33/54/1068203354.db2.gz PWSDVBFHPFPJOE-ICSRJNTNSA-N 1 0 463.623 3.220 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1)[NH+]1CCCCC1 ZINC001303669620 1068203926 /nfs/dbraw/zinc/20/39/26/1068203926.db2.gz VCTQBHRQRJCBSJ-UGKGYDQZSA-N 1 0 454.619 3.172 20 0 JGADRO C[C@@H](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCCC1 ZINC001303669404 1068203943 /nfs/dbraw/zinc/20/39/43/1068203943.db2.gz TUTSNYNKXFBKFT-ICSRJNTNSA-N 1 0 459.038 3.489 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C4CC4)n3C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303671468 1068205399 /nfs/dbraw/zinc/20/53/99/1068205399.db2.gz BZEBKJFGRQVYMU-RBBKRZOGSA-N 1 0 489.709 3.263 20 0 JGADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001303672232 1068207443 /nfs/dbraw/zinc/20/74/43/1068207443.db2.gz OXCOUZZRSZSURK-VQTJNVASSA-N 1 0 484.649 3.303 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001303672566 1068208512 /nfs/dbraw/zinc/20/85/12/1068208512.db2.gz TUFJIEYOZZABKM-CTNGQTDRSA-N 1 0 486.665 3.246 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303672571 1068208568 /nfs/dbraw/zinc/20/85/68/1068208568.db2.gz TWTHEEKFUHUERX-IRLDBZIGSA-N 1 0 499.660 3.144 20 0 JGADRO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+]1CCCC1 ZINC001305125430 1068212382 /nfs/dbraw/zinc/21/23/82/1068212382.db2.gz WUDSUXQKLBFLHK-RTBURBONSA-N 1 0 455.607 3.050 20 0 JGADRO C[C@@H]1OCC[C@]12CN(c1nnc(C(C)(C)C)n1Cc1cccc(OCC[NH+](C)C)c1)C[C@@H](C)O2 ZINC001305127235 1068213566 /nfs/dbraw/zinc/21/35/66/1068213566.db2.gz JEVJBZINTJHSNN-GOHWNWGWSA-N 1 0 471.646 3.337 20 0 JGADRO CC(C)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001305128560 1068214527 /nfs/dbraw/zinc/21/45/27/1068214527.db2.gz JEWAFFNQGMMHLF-FQEVSTJZSA-N 1 0 457.619 3.165 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001303676429 1068214897 /nfs/dbraw/zinc/21/48/97/1068214897.db2.gz YKGMZONDBCVBFP-HXUWFJFHSA-N 1 0 471.650 3.297 20 0 JGADRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)C[C@@](C)(O)c2ccccc2)CC1 ZINC001303680050 1068216831 /nfs/dbraw/zinc/21/68/31/1068216831.db2.gz VXWVZIATXJEBBQ-TVZXLZGTSA-N 1 0 457.615 3.359 20 0 JGADRO CC(C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCS(=O)(=O)Cc1ccccc1 ZINC001305133172 1068219535 /nfs/dbraw/zinc/21/95/35/1068219535.db2.gz JPAYTZBNXUNBIS-HXUWFJFHSA-N 1 0 459.660 3.327 20 0 JGADRO C[C@@H]1OCC[C@]12CN(c1nnc(-c3cc(Br)c[nH]3)n1CC(C)(C)C[NH+](C)C)C[C@@H](C)O2 ZINC001305133312 1068220096 /nfs/dbraw/zinc/22/00/96/1068220096.db2.gz NMRXJHWYZRPJEH-VVBPWWLESA-N 1 0 495.466 3.396 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccc(F)cc2)CC1 ZINC001303683929 1068221578 /nfs/dbraw/zinc/22/15/78/1068221578.db2.gz GZMFLBZSICOONG-IBGZPJMESA-N 1 0 458.582 3.041 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305134939 1068222699 /nfs/dbraw/zinc/22/26/99/1068222699.db2.gz BSMLOKBKZIJEGT-DOMZBBRYSA-N 1 0 477.329 3.288 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccc(Br)cc1)[NH+](C)C ZINC001303685192 1068223505 /nfs/dbraw/zinc/22/35/05/1068223505.db2.gz ORWPQUNDRRKBQI-MRXNPFEDSA-N 1 0 486.418 3.317 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001303685860 1068224051 /nfs/dbraw/zinc/22/40/51/1068224051.db2.gz FALAAUYZFLEOIT-APWZRJJASA-N 1 0 469.977 3.107 20 0 JGADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)[NH+](C)C ZINC001303685862 1068224090 /nfs/dbraw/zinc/22/40/90/1068224090.db2.gz FALAAUYZFLEOIT-LPHOPBHVSA-N 1 0 469.977 3.107 20 0 JGADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1)Sc1ccccc1 ZINC001303688885 1068228306 /nfs/dbraw/zinc/22/83/06/1068228306.db2.gz PQKGJGDAHNDGMS-MOPGFXCFSA-N 1 0 492.715 3.134 20 0 JGADRO CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001303690311 1068230345 /nfs/dbraw/zinc/23/03/45/1068230345.db2.gz YNWUFYFQRNBMKO-YADHBBJMSA-N 1 0 488.652 3.239 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(Cn2cccn2)CC1)[NH+](C)C ZINC001303691296 1068230646 /nfs/dbraw/zinc/23/06/46/1068230646.db2.gz CRSGZPYIOFHBCA-INIZCTEOSA-N 1 0 475.439 3.109 20 0 JGADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](c2nccs2)C1)[NH+](C)C ZINC001303691208 1068230713 /nfs/dbraw/zinc/23/07/13/1068230713.db2.gz BWAAWNFIMQKTKI-CJNGLKHVSA-N 1 0 480.436 3.031 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)[N@H+](C)C1CC1 ZINC001303691422 1068231381 /nfs/dbraw/zinc/23/13/81/1068231381.db2.gz DSZYENMBZINTRO-HOTGVXAUSA-N 1 0 475.435 3.282 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](C)c1ccccc1 ZINC001305140213 1068233935 /nfs/dbraw/zinc/23/39/35/1068233935.db2.gz YZIJMSPVEUAISB-XUVXKRRUSA-N 1 0 474.675 3.003 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(CCS(C)(=O)=O)C1CC1)[N@H+](C)C1CC1 ZINC001303693391 1068235984 /nfs/dbraw/zinc/23/59/84/1068235984.db2.gz GHVLBPAYGJQOCY-CQSZACIVSA-N 1 0 470.014 3.234 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303694991 1068237835 /nfs/dbraw/zinc/23/78/35/1068237835.db2.gz QUVNESUSKDLLPO-RXVVDRJESA-N 1 0 487.626 3.081 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCCO1 ZINC001305142090 1068238503 /nfs/dbraw/zinc/23/85/03/1068238503.db2.gz GXJLGXQEHDLZIB-CVEARBPZSA-N 1 0 484.464 3.231 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001303695692 1068238860 /nfs/dbraw/zinc/23/88/60/1068238860.db2.gz VQHITDUEVRAKOU-IRXDYDNUSA-N 1 0 462.042 3.322 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCSCC2)C[C@@H](C)O1 ZINC001305142448 1068239640 /nfs/dbraw/zinc/23/96/40/1068239640.db2.gz JIXSSBDVQXALRF-ZIAGYGMSSA-N 1 0 472.478 3.432 20 0 JGADRO C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCc2sccc2C1)[NH+](C)C ZINC001303696549 1068240227 /nfs/dbraw/zinc/24/02/27/1068240227.db2.gz RFKQHNNNUNDVIR-MRXNPFEDSA-N 1 0 459.641 3.313 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303698686 1068241527 /nfs/dbraw/zinc/24/15/27/1068241527.db2.gz FDAKIHSMZNNVFC-LEWJYISDSA-N 1 0 484.645 3.359 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001303699319 1068241962 /nfs/dbraw/zinc/24/19/62/1068241962.db2.gz IAMSSJUDZXOORW-IAGOWNOFSA-N 1 0 472.435 3.460 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1c1nncn1C)[NH+](C)C ZINC001303699291 1068241981 /nfs/dbraw/zinc/24/19/81/1068241981.db2.gz HNMRCRALWRQNLZ-SUMWQHHRSA-N 1 0 477.386 3.267 20 0 JGADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@@H]1c1nncn1C)[NH+](C)C ZINC001303699288 1068242003 /nfs/dbraw/zinc/24/20/03/1068242003.db2.gz HNMRCRALWRQNLZ-CXAGYDPISA-N 1 0 477.386 3.267 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001305143750 1068243034 /nfs/dbraw/zinc/24/30/34/1068243034.db2.gz LZFZWERLXPSXAR-VQTJNVASSA-N 1 0 475.659 3.228 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCC2)CC(C)(C)O1 ZINC001305144258 1068243860 /nfs/dbraw/zinc/24/38/60/1068243860.db2.gz OCUAMUKSUOQGLQ-GOSISDBHSA-N 1 0 475.659 3.227 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)C1)[NH+]1CCCC1 ZINC001305144662 1068244994 /nfs/dbraw/zinc/24/49/94/1068244994.db2.gz RAOFSFDNYHYACF-RXVVDRJESA-N 1 0 477.700 3.411 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(CCO)Cc1cc(Br)ccc1F)[NH+](C)C ZINC001303701981 1068246327 /nfs/dbraw/zinc/24/63/27/1068246327.db2.gz YUDITRLHQMICPN-HNNXBMFYSA-N 1 0 477.382 3.191 20 0 JGADRO C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303702885 1068246882 /nfs/dbraw/zinc/24/68/82/1068246882.db2.gz GKURIAQUGRMBFB-XLIONFOSSA-N 1 0 455.607 3.268 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC001303703073 1068247022 /nfs/dbraw/zinc/24/70/22/1068247022.db2.gz KAPNLDYNXQLJNW-QRVBRYPASA-N 1 0 457.623 3.212 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CC[N@@H+](C2CCC2)C1 ZINC001305148445 1068251519 /nfs/dbraw/zinc/25/15/19/1068251519.db2.gz YRSILVKSNQBCFB-KRWDZBQOSA-N 1 0 466.001 3.447 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCS1 ZINC001305148480 1068251541 /nfs/dbraw/zinc/25/15/41/1068251541.db2.gz YVUOPTQHTWKLAZ-AEFFLSMTSA-N 1 0 451.040 3.172 20 0 JGADRO C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303706711 1068251765 /nfs/dbraw/zinc/25/17/65/1068251765.db2.gz DVMFHYZXFPNQAJ-UYAOXDASSA-N 1 0 480.617 3.184 20 0 JGADRO CC(C)n1nc(-c2nnc(N(C)[C@H]3CCSC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303707215 1068252330 /nfs/dbraw/zinc/25/23/30/1068252330.db2.gz GUJHVCCGOULSGS-SJORKVTESA-N 1 0 455.632 3.128 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001305150421 1068255910 /nfs/dbraw/zinc/25/59/10/1068255910.db2.gz KVRRGFMYPYWNLG-OXJNMPFZSA-N 1 0 478.519 3.228 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC001303709706 1068256295 /nfs/dbraw/zinc/25/62/95/1068256295.db2.gz WRYJAJDXJYXUIB-BEFAXECRSA-N 1 0 461.492 3.282 20 0 JGADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1)[NH+](C)C ZINC001303711894 1068257448 /nfs/dbraw/zinc/25/74/48/1068257448.db2.gz HFWZOZKWQYDSGL-RDTXWAMCSA-N 1 0 499.969 3.178 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001305151439 1068257573 /nfs/dbraw/zinc/25/75/73/1068257573.db2.gz WZQIUQMVLJEDNX-NZQKXSOJSA-N 1 0 482.673 3.146 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(O)CC2)CCN1CC(F)(F)F ZINC001305152821 1068259999 /nfs/dbraw/zinc/25/99/99/1068259999.db2.gz VISCEIVBNBRBEO-KRWDZBQOSA-N 1 0 484.542 3.004 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCSCC2)C[C@H](C(F)(F)F)O1 ZINC001305152812 1068260069 /nfs/dbraw/zinc/26/00/69/1068260069.db2.gz VESUJOTUJHRVFP-RHSMWYFYSA-N 1 0 459.513 3.289 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303715115 1068261103 /nfs/dbraw/zinc/26/11/03/1068261103.db2.gz AHOIYFILPXKFHK-QHAWAJNXSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303715112 1068261136 /nfs/dbraw/zinc/26/11/36/1068261136.db2.gz AHOIYFILPXKFHK-HKBOAZHASA-N 1 0 476.666 3.350 20 0 JGADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)[NH+](C)C ZINC001303715730 1068262327 /nfs/dbraw/zinc/26/23/27/1068262327.db2.gz DXQRMUIHFPLJBK-NRSPTQNISA-N 1 0 476.666 3.491 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1)[NH+](C)C ZINC001303715701 1068262495 /nfs/dbraw/zinc/26/24/95/1068262495.db2.gz AZAPFSZTSWXIDC-XLIONFOSSA-N 1 0 461.010 3.086 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CCc1nccs1)[NH+](C)C ZINC001303716608 1068263740 /nfs/dbraw/zinc/26/37/40/1068263740.db2.gz GBDSEXFBFOCTPZ-MSOLQXFVSA-N 1 0 477.679 3.478 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1)[NH+](C)C ZINC001303716157 1068263870 /nfs/dbraw/zinc/26/38/70/1068263870.db2.gz GDDJXKZNGIFYNP-IMFGXOCKSA-N 1 0 465.545 3.302 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC[NH+](C)C)c2)CC(C)(C)O1 ZINC001305155839 1068264075 /nfs/dbraw/zinc/26/40/75/1068264075.db2.gz FDFUTMSZFPIEGQ-LJQANCHMSA-N 1 0 450.587 3.333 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCSCC2)CCN1CC(F)(F)F ZINC001305156630 1068264679 /nfs/dbraw/zinc/26/46/79/1068264679.db2.gz WVWISHOTZFSKJE-KRWDZBQOSA-N 1 0 454.566 3.067 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCC(F)(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC001303719605 1068269132 /nfs/dbraw/zinc/26/91/32/1068269132.db2.gz YOOPALHIVNHJEV-RTBURBONSA-N 1 0 466.552 3.381 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCCCO1)[NH+](C)C ZINC001303720227 1068269204 /nfs/dbraw/zinc/26/92/04/1068269204.db2.gz XTAYONGJMLVKJV-AQNXPRMDSA-N 1 0 464.655 3.348 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H](C(F)(F)F)O1 ZINC001305161384 1068269210 /nfs/dbraw/zinc/26/92/10/1068269210.db2.gz NFHBXTDNKIUWGG-LAUBAEHRSA-N 1 0 492.546 3.428 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccc(F)cc2C1)[NH+](C)C ZINC001303722439 1068272010 /nfs/dbraw/zinc/27/20/10/1068272010.db2.gz AHVNKJMCCBEONQ-DYESRHJHSA-N 1 0 488.608 3.238 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)C(C)C ZINC001305163670 1068272528 /nfs/dbraw/zinc/27/25/28/1068272528.db2.gz BDGFFZZZJFCDJD-FUHWJXTLSA-N 1 0 455.529 3.400 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+](C)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001305163641 1068272607 /nfs/dbraw/zinc/27/26/07/1068272607.db2.gz ANZCJSKWIVRGEU-FQEVSTJZSA-N 1 0 492.628 3.313 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N(C)C(=O)OC(C)(C)C ZINC001303723583 1068274506 /nfs/dbraw/zinc/27/45/06/1068274506.db2.gz UPASAVNTAUBEPV-MOPGFXCFSA-N 1 0 464.655 3.348 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC001303723727 1068274744 /nfs/dbraw/zinc/27/47/44/1068274744.db2.gz VEJXIZYSTGSOEP-AYBZRNKSSA-N 1 0 453.509 3.329 20 0 JGADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC001303723728 1068274804 /nfs/dbraw/zinc/27/48/04/1068274804.db2.gz VEJXIZYSTGSOEP-HHXXYDBFSA-N 1 0 453.509 3.329 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)[NH+](C)C)CCN1CC(F)(F)F ZINC001305165160 1068275427 /nfs/dbraw/zinc/27/54/27/1068275427.db2.gz YOQZFSGQRBHBLF-NVXWUHKLSA-N 1 0 482.580 3.116 20 0 JGADRO C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001303724947 1068276751 /nfs/dbraw/zinc/27/67/51/1068276751.db2.gz QOYYLBJSFBJSPK-PXNSSMCTSA-N 1 0 476.597 3.312 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001303725259 1068276766 /nfs/dbraw/zinc/27/67/66/1068276766.db2.gz UDEGDHKCDRKZSP-CEXWTWQISA-N 1 0 464.655 3.409 20 0 JGADRO C[C@H]1CN(c2nnc(C3CC3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305167670 1068278746 /nfs/dbraw/zinc/27/87/46/1068278746.db2.gz OYVZJYGETJZVOO-PGRDOPGGSA-N 1 0 484.645 3.494 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@H+](C)C1CC1 ZINC001303726545 1068279401 /nfs/dbraw/zinc/27/94/01/1068279401.db2.gz FRVBQVGFYCRZNJ-LAUBAEHRSA-N 1 0 480.078 3.409 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303726931 1068280553 /nfs/dbraw/zinc/28/05/53/1068280553.db2.gz CFBPCGFMUXPYOL-SFHVURJKSA-N 1 0 457.623 3.098 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303728244 1068282356 /nfs/dbraw/zinc/28/23/56/1068282356.db2.gz KRPWVBUEFYOANQ-PMACEKPBSA-N 1 0 483.661 3.440 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303728156 1068282369 /nfs/dbraw/zinc/28/23/69/1068282369.db2.gz PVFKBRNISSWAEN-KEWLPNKHSA-N 1 0 458.582 3.062 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001303729317 1068284690 /nfs/dbraw/zinc/28/46/90/1068284690.db2.gz UGKRBMGHELPFPS-UUOWRZLLSA-N 1 0 452.578 3.303 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)[NH+](C)C ZINC001303732111 1068287503 /nfs/dbraw/zinc/28/75/03/1068287503.db2.gz SGYJRJOQMQHDLD-KRWDZBQOSA-N 1 0 483.020 3.118 20 0 JGADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1)[NH+](C)C ZINC001303732185 1068288282 /nfs/dbraw/zinc/28/82/82/1068288282.db2.gz SSXTXHRSTRCSGQ-QGZVFWFLSA-N 1 0 452.628 3.409 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305176534 1068289472 /nfs/dbraw/zinc/28/94/72/1068289472.db2.gz SLMJKJXPRIPGIV-HSALFYBXSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001305177079 1068290492 /nfs/dbraw/zinc/29/04/92/1068290492.db2.gz FEBMSDUIZKUYKC-FQEVSTJZSA-N 1 0 476.666 3.494 20 0 JGADRO C[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC001303734898 1068291344 /nfs/dbraw/zinc/29/13/44/1068291344.db2.gz QWOCUIXNUWJKJU-INIZCTEOSA-N 1 0 450.509 3.125 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC001305177536 1068291591 /nfs/dbraw/zinc/29/15/91/1068291591.db2.gz WZQACTVJYJFCMY-RBUKOAKNSA-N 1 0 462.639 3.102 20 0 JGADRO C[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303735025 1068291801 /nfs/dbraw/zinc/29/18/01/1068291801.db2.gz UNHFTPCNIDXAGH-HXUWFJFHSA-N 1 0 452.647 3.241 20 0 JGADRO C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303734901 1068291910 /nfs/dbraw/zinc/29/19/10/1068291910.db2.gz QXSIIZSEMRSGPT-FPOVZHCZSA-N 1 0 456.635 3.364 20 0 JGADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+](C)C ZINC001303735467 1068292813 /nfs/dbraw/zinc/29/28/13/1068292813.db2.gz ZFGTXXZGKQDZCI-JTSKRJEESA-N 1 0 469.552 3.379 20 0 JGADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001303735742 1068293396 /nfs/dbraw/zinc/29/33/96/1068293396.db2.gz CSHBUNJATZWLOA-MSOLQXFVSA-N 1 0 473.622 3.286 20 0 JGADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1)[NH+](C)C ZINC001303736382 1068294651 /nfs/dbraw/zinc/29/46/51/1068294651.db2.gz LQAXDJZWWVEQRT-GOSISDBHSA-N 1 0 495.653 3.075 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+](C)C ZINC001303738746 1068298791 /nfs/dbraw/zinc/29/87/91/1068298791.db2.gz VPCYSUATMDZZNP-GJZGRUSLSA-N 1 0 469.417 3.206 20 0 JGADRO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+](C)C1CC1 ZINC001303738838 1068298841 /nfs/dbraw/zinc/29/88/41/1068298841.db2.gz VXSHQOFXJWMGSH-HOTGVXAUSA-N 1 0 463.051 3.408 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001303738987 1068298911 /nfs/dbraw/zinc/29/89/11/1068298911.db2.gz WMFYNHOEUJQGIG-RXVVDRJESA-N 1 0 477.675 3.118 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)CCS1 ZINC001305182151 1068299047 /nfs/dbraw/zinc/29/90/47/1068299047.db2.gz YANQTJIWPTWSER-RBUKOAKNSA-N 1 0 464.680 3.430 20 0 JGADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001303739091 1068299486 /nfs/dbraw/zinc/29/94/86/1068299486.db2.gz XJHAEZIMJXDDBA-TZIWHRDSSA-N 1 0 468.646 3.306 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCO[C@@H](C)C1 ZINC001305182293 1068299610 /nfs/dbraw/zinc/29/96/10/1068299610.db2.gz YLVXXGNAWWMKHL-IBGZPJMESA-N 1 0 464.655 3.348 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C(F)(F)F)O1 ZINC001305182639 1068300116 /nfs/dbraw/zinc/30/01/16/1068300116.db2.gz ZHDSWKAOFAQAFY-YFVAEKQCSA-N 1 0 497.562 3.121 20 0 JGADRO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001303743678 1068302949 /nfs/dbraw/zinc/30/29/49/1068302949.db2.gz CGYBONXKHYWTJO-IBGZPJMESA-N 1 0 484.649 3.303 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001303743770 1068303064 /nfs/dbraw/zinc/30/30/64/1068303064.db2.gz DCHMTJVTNKEZTK-FQEVSTJZSA-N 1 0 470.637 3.435 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC001303744226 1068304114 /nfs/dbraw/zinc/30/41/14/1068304114.db2.gz CCBDFVJJIFNGHM-SJORKVTESA-N 1 0 475.435 3.106 20 0 JGADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303744375 1068304602 /nfs/dbraw/zinc/30/46/02/1068304602.db2.gz HXFYUTSDKXLUMX-MOPGFXCFSA-N 1 0 457.623 3.451 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001303744977 1068305254 /nfs/dbraw/zinc/30/52/54/1068305254.db2.gz VRCBGYKNKJEANE-PKWOTWBQSA-N 1 0 482.673 3.344 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001303745417 1068306013 /nfs/dbraw/zinc/30/60/13/1068306013.db2.gz HDMJIAHBRXOPIW-RBUKOAKNSA-N 1 0 495.093 3.096 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001303745413 1068306155 /nfs/dbraw/zinc/30/61/55/1068306155.db2.gz HDMJIAHBRXOPIW-MOPGFXCFSA-N 1 0 495.093 3.096 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC001303746268 1068306932 /nfs/dbraw/zinc/30/69/32/1068306932.db2.gz RNMROOMTDLRIQV-HKBOAZHASA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC001303746275 1068307087 /nfs/dbraw/zinc/30/70/87/1068307087.db2.gz RNMROOMTDLRIQV-NJYVYQBISA-N 1 0 476.666 3.350 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC001303746278 1068307127 /nfs/dbraw/zinc/30/71/27/1068307127.db2.gz RNMROOMTDLRIQV-QHAWAJNXSA-N 1 0 476.666 3.350 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C[NH+]1CCCC1 ZINC001303746604 1068307285 /nfs/dbraw/zinc/30/72/85/1068307285.db2.gz MQZQLRZWDLMUSE-DLBZAZTESA-N 1 0 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C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2([NH+](C)C)CCC2)C1 ZINC001303797824 1068388410 /nfs/dbraw/zinc/38/84/10/1068388410.db2.gz OAJZUKKTFMXXKL-GBESFXJTSA-N 1 0 462.639 3.353 20 0 JGADRO C[C@@H]1N(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+](C)Cc2ccccc2)CCOC1(C)C ZINC001305240549 1068390341 /nfs/dbraw/zinc/39/03/41/1068390341.db2.gz PNYIJUUKTVFAPV-FQEVSTJZSA-N 1 0 477.613 3.451 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001303798466 1068390335 /nfs/dbraw/zinc/39/03/35/1068390335.db2.gz QGFANEFRMGQTKR-SFHVURJKSA-N 1 0 484.649 3.349 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccn3)n2CCCC[NH+]2CCOCC2)C1 ZINC001303798811 1068391342 /nfs/dbraw/zinc/39/13/42/1068391342.db2.gz SJUXPXGVYQGBDJ-RTWAWAEBSA-N 1 0 499.660 3.192 20 0 JGADRO C[C@H]1N(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCOCC2)CCOC1(C)C ZINC001305241459 1068391636 /nfs/dbraw/zinc/39/16/36/1068391636.db2.gz DHKOTKCMOGCGBT-HXUWFJFHSA-N 1 0 457.619 3.014 20 0 JGADRO C[C@H]1N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)C2CCCC2)CCOC1(C)C ZINC001305241518 1068392113 /nfs/dbraw/zinc/39/21/13/1068392113.db2.gz FIBUQSLCUXRXGZ-QGZVFWFLSA-N 1 0 460.648 3.148 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001303800161 1068393754 /nfs/dbraw/zinc/39/37/54/1068393754.db2.gz WJYNBKUSHVKXJS-BDTNDASRSA-N 1 0 494.688 3.353 20 0 JGADRO C[C@@H]1N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)CCOC1(C)C ZINC001305243050 1068394777 /nfs/dbraw/zinc/39/47/77/1068394777.db2.gz IHIAWLVFLONFOM-PMACEKPBSA-N 1 0 492.665 3.076 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CC=CCC2)C1 ZINC001303801282 1068397058 /nfs/dbraw/zinc/39/70/58/1068397058.db2.gz VIOJSEOTOUWPAX-UXHICEINSA-N 1 0 482.633 3.127 20 0 JGADRO C[C@@H]1N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)CCOC1(C)C ZINC001305244926 1068397604 /nfs/dbraw/zinc/39/76/04/1068397604.db2.gz PZHSPZMVYYKCBA-PMACEKPBSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCCO1)c1ccccc1 ZINC001303804159 1068404643 /nfs/dbraw/zinc/40/46/43/1068404643.db2.gz RQNCMIJYOITYLN-SESVDKBCSA-N 1 0 454.619 3.364 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001303809233 1068416175 /nfs/dbraw/zinc/41/61/75/1068416175.db2.gz HEIAVMBPKRKMDK-QZTJIDSGSA-N 1 0 483.082 3.443 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001303811492 1068420570 /nfs/dbraw/zinc/42/05/70/1068420570.db2.gz XILHCPZTCKCPBK-WBVHZDCISA-N 1 0 499.056 3.334 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccs2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303815695 1068428244 /nfs/dbraw/zinc/42/82/44/1068428244.db2.gz QQDIPNNUSFUONK-MJGOQNOKSA-N 1 0 480.704 3.383 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001303820210 1068436211 /nfs/dbraw/zinc/43/62/11/1068436211.db2.gz LTOHAWOETJVSHO-AEFFLSMTSA-N 1 0 482.676 3.097 20 0 JGADRO CC(C)N(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCCCCC1 ZINC001303820876 1068438181 /nfs/dbraw/zinc/43/81/81/1068438181.db2.gz UDJORQXNPKKKJG-SFHVURJKSA-N 1 0 468.693 3.241 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001305264172 1068440366 /nfs/dbraw/zinc/44/03/66/1068440366.db2.gz KORGTVNQLNOCSU-OFNKIYASSA-N 1 0 479.629 3.090 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001305264070 1068440511 /nfs/dbraw/zinc/44/05/11/1068440511.db2.gz JYVDGXNWSLRJDP-NRFANRHFSA-N 1 0 488.080 3.120 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001305265101 1068444249 /nfs/dbraw/zinc/44/42/49/1068444249.db2.gz MCISOHDDLTXOKF-RXVVDRJESA-N 1 0 496.612 3.353 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303827778 1068447700 /nfs/dbraw/zinc/44/77/00/1068447700.db2.gz JQLOZINDUIWLNZ-HBFSDRIKSA-N 1 0 468.712 3.271 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305267109 1068452712 /nfs/dbraw/zinc/45/27/12/1068452712.db2.gz QFNOKLVIDSDWQC-GGAORHGYSA-N 1 0 468.646 3.105 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001305267188 1068453273 /nfs/dbraw/zinc/45/32/73/1068453273.db2.gz MLEXZZKVKHVVLV-OALUTQOASA-N 1 0 474.600 3.374 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[C@H]1C[C@H](F)C1 ZINC001303829968 1068453425 /nfs/dbraw/zinc/45/34/25/1068453425.db2.gz GCFBOPCEZJLVPQ-UGESXGAOSA-N 1 0 492.665 3.127 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001305267668 1068455402 /nfs/dbraw/zinc/45/54/02/1068455402.db2.gz VWELGMDGEFSCLK-NRFANRHFSA-N 1 0 489.064 3.329 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001305268027 1068456442 /nfs/dbraw/zinc/45/64/42/1068456442.db2.gz QXHAVVQHBUHVDM-YADHBBJMSA-N 1 0 489.064 3.330 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC1=CCCCC1 ZINC001303832176 1068457764 /nfs/dbraw/zinc/45/77/64/1068457764.db2.gz ULFNULYTDSJLPU-SFTDATJTSA-N 1 0 486.686 3.490 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001305268891 1068458709 /nfs/dbraw/zinc/45/87/09/1068458709.db2.gz PKFXVJNMTDQPBZ-XZOQPEGZSA-N 1 0 461.614 3.062 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001303832411 1068458685 /nfs/dbraw/zinc/45/86/85/1068458685.db2.gz WMEOEIOPBPKFKV-AABGKKOBSA-N 1 0 474.675 3.015 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1)C(C)C ZINC001303832634 1068459315 /nfs/dbraw/zinc/45/93/15/1068459315.db2.gz XXVAXMBUWTVREW-OALUTQOASA-N 1 0 454.685 3.024 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC001303832693 1068459356 /nfs/dbraw/zinc/45/93/56/1068459356.db2.gz YUKXNIHBVAQWMN-IRFCIJBXSA-N 1 0 492.665 3.142 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305269925 1068462192 /nfs/dbraw/zinc/46/21/92/1068462192.db2.gz UYIZIHZKMHGZHF-FCHUYYIVSA-N 1 0 489.064 3.450 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001305270083 1068464230 /nfs/dbraw/zinc/46/42/30/1068464230.db2.gz VYTYJABKHDONBV-OALUTQOASA-N 1 0 460.026 3.363 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001305270062 1068464278 /nfs/dbraw/zinc/46/42/78/1068464278.db2.gz VWYMVNKMARTLTQ-NFBKMPQASA-N 1 0 461.614 3.356 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](CC)[NH+]2CCCC2)C1 ZINC001305270071 1068464285 /nfs/dbraw/zinc/46/42/85/1068464285.db2.gz VYTYJABKHDONBV-MOPGFXCFSA-N 1 0 460.026 3.363 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001303836473 1068465842 /nfs/dbraw/zinc/46/58/42/1068465842.db2.gz MAWQDFUSSUVHIQ-CEWLAPEOSA-N 1 0 484.686 3.119 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCc1ccccc1Cl ZINC001303838601 1068468365 /nfs/dbraw/zinc/46/83/65/1068468365.db2.gz JGDICJLEDQBYJO-GOSISDBHSA-N 1 0 495.093 3.239 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001303843152 1068472843 /nfs/dbraw/zinc/47/28/43/1068472843.db2.gz VJEGPTACNRMZGP-WOJBJXKFSA-N 1 0 466.696 3.313 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001305272882 1068473349 /nfs/dbraw/zinc/47/33/49/1068473349.db2.gz VLYVJCMSNLKAQS-RTWAWAEBSA-N 1 0 454.619 3.145 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(C2)CCCCC3)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303843346 1068473439 /nfs/dbraw/zinc/47/34/39/1068473439.db2.gz WIXTUQRVUUOLHG-OALUTQOASA-N 1 0 466.696 3.169 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001305278121 1068480075 /nfs/dbraw/zinc/48/00/75/1068480075.db2.gz OHWZULCMLNXGKT-RJGXRXQPSA-N 1 0 468.646 3.490 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1)C(C)C ZINC001303846523 1068480587 /nfs/dbraw/zinc/48/05/87/1068480587.db2.gz SPWOZXNDALTAQV-PCCBWWKXSA-N 1 0 468.712 3.414 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303850864 1068486648 /nfs/dbraw/zinc/48/66/48/1068486648.db2.gz ACFICJBRGJVQHF-IEBWSBKVSA-N 1 0 480.704 3.413 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccsc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303850863 1068486656 /nfs/dbraw/zinc/48/66/56/1068486656.db2.gz ACFICJBRGJVQHF-HKUYNNGSSA-N 1 0 480.704 3.413 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303850984 1068487360 /nfs/dbraw/zinc/48/73/60/1068487360.db2.gz AKCICFYHDVEVMV-DKKFBQAASA-N 1 0 466.677 3.022 20 0 JGADRO CC(C)[C@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001303851111 1068487847 /nfs/dbraw/zinc/48/78/47/1068487847.db2.gz BSFYMUQWDPBVJT-XUVXKRRUSA-N 1 0 478.663 3.333 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001303851354 1068489053 /nfs/dbraw/zinc/48/90/53/1068489053.db2.gz DBMMRZCOMZFDMB-PXNSSMCTSA-N 1 0 466.627 3.101 20 0 JGADRO CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001305288477 1068491449 /nfs/dbraw/zinc/49/14/49/1068491449.db2.gz OIKQZRBOWNFMLE-NRFANRHFSA-N 1 0 456.610 3.187 20 0 JGADRO CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001305288774 1068491472 /nfs/dbraw/zinc/49/14/72/1068491472.db2.gz OCNFBLUSBIBOKK-VWLOTQADSA-N 1 0 469.634 3.179 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303852529 1068491999 /nfs/dbraw/zinc/49/19/99/1068491999.db2.gz LRMAHZODXLHCCZ-PWIZWCRZSA-N 1 0 490.605 3.265 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303852532 1068492061 /nfs/dbraw/zinc/49/20/61/1068492061.db2.gz LRMAHZODXLHCCZ-VDGAXYAQSA-N 1 0 490.605 3.265 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccc(O)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303853234 1068493052 /nfs/dbraw/zinc/49/30/52/1068493052.db2.gz OPRRKEGEKLHQHL-WIYYLYMNSA-N 1 0 490.674 3.057 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccccc2)n1CC[N@H+](C)C1CCCC1 ZINC001303853152 1068493060 /nfs/dbraw/zinc/49/30/60/1068493060.db2.gz NZSMRGWOAPUASD-WIYYLYMNSA-N 1 0 460.648 3.104 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CC[NH+]1CCCCCC1 ZINC001303853360 1068493674 /nfs/dbraw/zinc/49/36/74/1068493674.db2.gz QGBFLXVMAGBASD-REWPJTCUSA-N 1 0 464.680 3.091 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccc(C2CC2)c1 ZINC001303855122 1068495258 /nfs/dbraw/zinc/49/52/58/1068495258.db2.gz WCJWEMZVEBSBNK-SFHVURJKSA-N 1 0 474.675 3.125 20 0 JGADRO C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1Cc1cccs1)[NH+]1CCCCC1 ZINC001303858066 1068498825 /nfs/dbraw/zinc/49/88/25/1068498825.db2.gz OQUZMHNFLGEYMW-VAMGGRTRSA-N 1 0 494.731 3.426 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305295450 1068502369 /nfs/dbraw/zinc/50/23/69/1068502369.db2.gz QOIJNKXAYXGGKG-FOIQADDNSA-N 1 0 484.464 3.231 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CCCC1(C)C ZINC001303865958 1068502858 /nfs/dbraw/zinc/50/28/58/1068502858.db2.gz WTXYDHWBPFGSFZ-RTBURBONSA-N 1 0 468.712 3.273 20 0 JGADRO CC[C@](C)(O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001305299447 1068506763 /nfs/dbraw/zinc/50/67/63/1068506763.db2.gz MTBIDRKMXYORMV-KHOMTPLRSA-N 1 0 476.666 3.227 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001305303638 1068512809 /nfs/dbraw/zinc/51/28/09/1068512809.db2.gz ZKFBPWOTHDYJMH-AREMUKBSSA-N 1 0 470.662 3.110 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C(C)C ZINC001303878077 1068512838 /nfs/dbraw/zinc/51/28/38/1068512838.db2.gz QJAGOYCILGJXOW-BRWVUGGUSA-N 1 0 482.617 3.032 20 0 JGADRO C[C@@](O)(C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303878651 1068513840 /nfs/dbraw/zinc/51/38/40/1068513840.db2.gz FBXSFMRALRYBNG-XMSQKQJNSA-N 1 0 486.583 3.025 20 0 JGADRO C[C@](O)(C1CCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCC(O)CC2)CC1)C(F)(F)F ZINC001303881739 1068520341 /nfs/dbraw/zinc/52/03/41/1068520341.db2.gz YVRUTDGXKWWHKD-QHCPKHFHSA-N 1 0 487.611 3.387 20 0 JGADRO C[C@@](O)(C1CCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCC(O)CC2)CC1)C(F)(F)F ZINC001303881738 1068520395 /nfs/dbraw/zinc/52/03/95/1068520395.db2.gz YVRUTDGXKWWHKD-HSZRJFAPSA-N 1 0 487.611 3.387 20 0 JGADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001303887591 1068525471 /nfs/dbraw/zinc/52/54/71/1068525471.db2.gz KJRASQRKQOOIJL-XWSJACJDSA-N 1 0 493.649 3.299 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001305317724 1068533676 /nfs/dbraw/zinc/53/36/76/1068533676.db2.gz HXUFSUQUVGAYLZ-TZHNIEJDSA-N 1 0 487.645 3.441 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CC1 ZINC001303896673 1068536336 /nfs/dbraw/zinc/53/63/36/1068536336.db2.gz BCYZEXKSTLXTSW-SIKLNZKXSA-N 1 0 461.582 3.283 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001305321706 1068539460 /nfs/dbraw/zinc/53/94/60/1068539460.db2.gz ZQWVBBALXBIEEJ-KHOMTPLRSA-N 1 0 457.619 3.434 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(O)CCOCC1 ZINC001303899933 1068542947 /nfs/dbraw/zinc/54/29/47/1068542947.db2.gz XGUCLEOKXQAAMN-SFHVURJKSA-N 1 0 461.582 3.019 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 ZINC001303900054 1068543382 /nfs/dbraw/zinc/54/33/82/1068543382.db2.gz XTUCSUAJKZZOSO-YADARESESA-N 1 0 461.582 3.283 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001303902325 1068546109 /nfs/dbraw/zinc/54/61/09/1068546109.db2.gz WJWWGRGEDMIUFY-TZIWHRDSSA-N 1 0 472.609 3.489 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303903508 1068547463 /nfs/dbraw/zinc/54/74/63/1068547463.db2.gz RQHBAOVSEORKOP-REWPJTCUSA-N 1 0 488.652 3.446 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(F)(F)F ZINC001303904263 1068548767 /nfs/dbraw/zinc/54/87/67/1068548767.db2.gz WAEIUBVOMAZFPH-JKSUJKDBSA-N 1 0 457.472 3.278 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[NH+]1CCCCC1 ZINC001303906585 1068552799 /nfs/dbraw/zinc/55/27/99/1068552799.db2.gz KSLQATWNLUCBKU-ZWKOTPCHSA-N 1 0 461.010 3.224 20 0 JGADRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001305330021 1068555202 /nfs/dbraw/zinc/55/52/02/1068555202.db2.gz UHYVGNJBDFCKSI-NLFFAJNJSA-N 1 0 451.619 3.188 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001305330598 1068556192 /nfs/dbraw/zinc/55/61/92/1068556192.db2.gz SFJVJIFZJFMUTO-KFKQDCOOSA-N 1 0 495.734 3.068 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC(=O)N(C)C ZINC001303912623 1068561541 /nfs/dbraw/zinc/56/15/41/1068561541.db2.gz QFQFCVJYGXICIP-QGZVFWFLSA-N 1 0 463.026 3.470 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305334340 1068564694 /nfs/dbraw/zinc/56/46/94/1068564694.db2.gz LLBGSZWPGJHUOK-DFBJGRDBSA-N 1 0 459.683 3.495 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@H](C)[NH+](C)C ZINC001303914492 1068564882 /nfs/dbraw/zinc/56/48/82/1068564882.db2.gz YSXNXJVFGHONPY-RBUKOAKNSA-N 1 0 498.031 3.379 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001305335029 1068565486 /nfs/dbraw/zinc/56/54/86/1068565486.db2.gz VCFZTMVFXVBTIA-ROYUMMMZSA-N 1 0 460.667 3.117 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001305335030 1068565579 /nfs/dbraw/zinc/56/55/79/1068565579.db2.gz VCFZTMVFXVBTIA-ZAZYSFHNSA-N 1 0 460.667 3.117 20 0 JGADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCOC(C)(C)C2)n1CCOCC[NH+](C)C ZINC001303915320 1068566066 /nfs/dbraw/zinc/56/60/66/1068566066.db2.gz NLSMOYPBXARQBK-KRWDZBQOSA-N 1 0 451.999 3.265 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303916060 1068567578 /nfs/dbraw/zinc/56/75/78/1068567578.db2.gz BHLBAXDCJUCJEF-LPHOPBHVSA-N 1 0 460.598 3.248 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001303916352 1068567955 /nfs/dbraw/zinc/56/79/55/1068567955.db2.gz GSQNOXRQNZBTGJ-OALUTQOASA-N 1 0 493.649 3.445 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001303916351 1068567979 /nfs/dbraw/zinc/56/79/79/1068567979.db2.gz GSQNOXRQNZBTGJ-MOPGFXCFSA-N 1 0 493.649 3.445 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001303916354 1068568013 /nfs/dbraw/zinc/56/80/13/1068568013.db2.gz GSQNOXRQNZBTGJ-RTBURBONSA-N 1 0 493.649 3.445 20 0 JGADRO CC[C@H](C)[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001305336452 1068568051 /nfs/dbraw/zinc/56/80/51/1068568051.db2.gz UCDKBIMKELBFHD-JXQFQVJHSA-N 1 0 474.675 3.131 20 0 JGADRO CC[C@H](C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001305337502 1068570423 /nfs/dbraw/zinc/57/04/23/1068570423.db2.gz BFHAXABBNXXXHV-ZCNNSNEGSA-N 1 0 455.607 3.051 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001303921749 1068573279 /nfs/dbraw/zinc/57/32/79/1068573279.db2.gz FOMOOPDVAPPMPS-BXKMTCNYSA-N 1 0 458.582 3.133 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303923077 1068575425 /nfs/dbraw/zinc/57/54/25/1068575425.db2.gz NXECPBMAILTNCD-RTBURBONSA-N 1 0 481.638 3.158 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303923075 1068575543 /nfs/dbraw/zinc/57/55/43/1068575543.db2.gz NXECPBMAILTNCD-OALUTQOASA-N 1 0 481.638 3.158 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303923219 1068575916 /nfs/dbraw/zinc/57/59/16/1068575916.db2.gz NHJRVBNKGBWYSP-YSIASYRMSA-N 1 0 472.609 3.392 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303923216 1068576036 /nfs/dbraw/zinc/57/60/36/1068576036.db2.gz NHJRVBNKGBWYSP-DFQSSKMNSA-N 1 0 472.609 3.392 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H](C)[NH+](C)C ZINC001303923273 1068576552 /nfs/dbraw/zinc/57/65/52/1068576552.db2.gz DWPFVRODRXEKHY-QZTJIDSGSA-N 1 0 460.598 3.202 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001303923274 1068576624 /nfs/dbraw/zinc/57/66/24/1068576624.db2.gz DWPFVRODRXEKHY-ROUUACIJSA-N 1 0 460.598 3.202 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CO)CC2)CC1 ZINC001303924336 1068579102 /nfs/dbraw/zinc/57/91/02/1068579102.db2.gz MADYNAWKOGDOQJ-IBGZPJMESA-N 1 0 475.609 3.001 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001303925208 1068581039 /nfs/dbraw/zinc/58/10/39/1068581039.db2.gz ZCEWZZCCRCBGQY-RTBURBONSA-N 1 0 472.609 3.489 20 0 JGADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001303925447 1068581457 /nfs/dbraw/zinc/58/14/57/1068581457.db2.gz ALURFYJGIYESKD-GBESFXJTSA-N 1 0 461.582 3.018 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001303925662 1068582039 /nfs/dbraw/zinc/58/20/39/1068582039.db2.gz CDPQEWMMHMYEKH-SVFBPWRDSA-N 1 0 472.609 3.379 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001303926323 1068584248 /nfs/dbraw/zinc/58/42/48/1068584248.db2.gz KGSJFKBXRVUIBI-ZWKOTPCHSA-N 1 0 460.598 3.202 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001303927316 1068586244 /nfs/dbraw/zinc/58/62/44/1068586244.db2.gz VVKCXLWDWYTEKU-ZCNNSNEGSA-N 1 0 472.609 3.379 20 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1069099536 /nfs/dbraw/zinc/09/95/36/1069099536.db2.gz SJONXIAPIYNSTL-SIKLNZKXSA-N 1 0 455.651 3.400 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2)CC1)[NH+](C)C ZINC001305708033 1069100026 /nfs/dbraw/zinc/10/00/26/1069100026.db2.gz ULKNLBQGAIZDMR-QHCPKHFHSA-N 1 0 467.662 3.207 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001305708600 1069100456 /nfs/dbraw/zinc/10/04/56/1069100456.db2.gz WEHPOKCEBZIIKQ-DZNWXHPMSA-N 1 0 456.635 3.479 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)[NH+](C)C ZINC001305708411 1069100501 /nfs/dbraw/zinc/10/05/01/1069100501.db2.gz VKCNDFCDRMGDHD-BWKNWUBXSA-N 1 0 456.635 3.481 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](C)(C(=O)NC)C1)[NH+](C)C ZINC001305708561 1069101209 /nfs/dbraw/zinc/10/12/09/1069101209.db2.gz KSZDREAVFMBOGE-FQRUVTKNSA-N 1 0 484.645 3.045 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+](C)C ZINC001305709042 1069102634 /nfs/dbraw/zinc/10/26/34/1069102634.db2.gz MHXURAHADQKCKV-WWPVKYPJSA-N 1 0 498.672 3.386 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1)[NH+](C)C ZINC001305709247 1069103232 /nfs/dbraw/zinc/10/32/32/1069103232.db2.gz BGWRNZNCLYIZMW-UNMCSNQZSA-N 1 0 451.623 3.448 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001305709224 1069103234 /nfs/dbraw/zinc/10/32/34/1069103234.db2.gz OKVPGDVJJNIYPL-LJQANCHMSA-N 1 0 463.026 3.300 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC(C)CC1)[NH+]1CCOCC1 ZINC001305709289 1069103294 /nfs/dbraw/zinc/10/32/94/1069103294.db2.gz CARJARDVQHGEAV-QZRMGYTESA-N 1 0 460.667 3.381 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001305709222 1069103324 /nfs/dbraw/zinc/10/33/24/1069103324.db2.gz OKVPGDVJJNIYPL-IBGZPJMESA-N 1 0 463.026 3.300 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(OC)CC1)[NH+]1CCOCC1 ZINC001305709334 1069104178 /nfs/dbraw/zinc/10/41/78/1069104178.db2.gz CHTUGBXTNDSFHH-WIOPSUGQSA-N 1 0 471.650 3.268 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@](C)(OC)CC1)[NH+]1CCOCC1 ZINC001305709333 1069104259 /nfs/dbraw/zinc/10/42/59/1069104259.db2.gz CHTUGBXTNDSFHH-RDGATRHJSA-N 1 0 471.650 3.268 20 0 JGADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001305709831 1069105439 /nfs/dbraw/zinc/10/54/39/1069105439.db2.gz GOTZQGJIMDRAQH-REWPJTCUSA-N 1 0 473.710 3.045 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](OC)C(C)(C)C1)[NH+](C)C ZINC001305710102 1069107275 /nfs/dbraw/zinc/10/72/75/1069107275.db2.gz HLMXNSSYQKBYOR-FCHUYYIVSA-N 1 0 495.672 3.420 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+](C)C ZINC001305710186 1069107295 /nfs/dbraw/zinc/10/72/95/1069107295.db2.gz FFSAJOXCWHPGLU-MDNUFGMLSA-N 1 0 470.637 3.431 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cncn2)C1)[NH+](C)C ZINC001305710766 1069108303 /nfs/dbraw/zinc/10/83/03/1069108303.db2.gz JBZNKXVBUANXIY-RTWAWAEBSA-N 1 0 471.679 3.433 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1)[NH+](C)C ZINC001305710747 1069108391 /nfs/dbraw/zinc/10/83/91/1069108391.db2.gz ISDXKDHESAVEOS-WIOPSUGQSA-N 1 0 459.610 3.370 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2nc(C)cc2C)CC1)[NH+](C)C ZINC001305711254 1069110058 /nfs/dbraw/zinc/11/00/58/1069110058.db2.gz NMSLJHWDPAFSMB-DHIUTWEWSA-N 1 0 484.693 3.326 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001305711333 1069110550 /nfs/dbraw/zinc/11/05/50/1069110550.db2.gz LASKYZYMVWSQND-QHCPKHFHSA-N 1 0 467.662 3.079 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1)[NH+](C)C ZINC001305711701 1069111220 /nfs/dbraw/zinc/11/12/20/1069111220.db2.gz NTXUVFQQDLSRHV-QFIPXVFZSA-N 1 0 458.626 3.433 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C)(COC)CC1)[NH+]1CCOCC1 ZINC001305711730 1069111552 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ZINC001305738105 1069162935 /nfs/dbraw/zinc/16/29/35/1069162935.db2.gz LCUCGOKOTLYKNV-ZWKOTPCHSA-N 1 0 466.634 3.234 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738892 1069164945 /nfs/dbraw/zinc/16/49/45/1069164945.db2.gz MZTXHEPBARCRHH-ZWKOTPCHSA-N 1 0 496.660 3.059 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001305739294 1069167720 /nfs/dbraw/zinc/16/77/20/1069167720.db2.gz GMYVRTDTDWLING-UHFFFAOYSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H](C)Oc1ccccc1OC ZINC001305739838 1069168680 /nfs/dbraw/zinc/16/86/80/1069168680.db2.gz LRRRREHKSIWPGN-SBHAEUEKSA-N 1 0 484.645 3.346 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001305741114 1069172982 /nfs/dbraw/zinc/17/29/82/1069172982.db2.gz KJPJVIKWSBXQOT-HSZRJFAPSA-N 1 0 482.673 3.438 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741422 1069173647 /nfs/dbraw/zinc/17/36/47/1069173647.db2.gz SBPSYEDJJULVHQ-ROUUACIJSA-N 1 0 469.634 3.122 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305742455 1069176647 /nfs/dbraw/zinc/17/66/47/1069176647.db2.gz POMPAOASUOIJDX-LEWJYISDSA-N 1 0 462.683 3.304 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001305742458 1069176668 /nfs/dbraw/zinc/17/66/68/1069176668.db2.gz POMPAOASUOIJDX-RTWAWAEBSA-N 1 0 462.683 3.304 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001305742437 1069176744 /nfs/dbraw/zinc/17/67/44/1069176744.db2.gz WCKJNFVXZOPRIG-UHFFFAOYSA-N 1 0 472.556 3.006 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCc1cccc(C)n1 ZINC001305742487 1069176750 /nfs/dbraw/zinc/17/67/50/1069176750.db2.gz WPXCUYKCWFKBLZ-UGKGYDQZSA-N 1 0 453.635 3.206 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@@H]2CC)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305742482 1069176764 /nfs/dbraw/zinc/17/67/64/1069176764.db2.gz PQWDQIUWINAADV-NRFANRHFSA-N 1 0 473.710 3.382 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCCn1nc(C)cc1C ZINC001305743750 1069181228 /nfs/dbraw/zinc/18/12/28/1069181228.db2.gz YLXOSLXHHITVDJ-PMACEKPBSA-N 1 0 458.655 3.019 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305744738 1069184457 /nfs/dbraw/zinc/18/44/57/1069184457.db2.gz XSJAJFJPKMHUPT-KCZVDYSFSA-N 1 0 474.694 3.448 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1CCOC1 ZINC001305751623 1069198085 /nfs/dbraw/zinc/19/80/85/1069198085.db2.gz XRXPEPYRRIPWEQ-IFMALSPDSA-N 1 0 468.646 3.334 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(OC)cc3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001305752514 1069200324 /nfs/dbraw/zinc/20/03/24/1069200324.db2.gz SUSLGJVRNMKMIS-OAQYLSRUSA-N 1 0 498.672 3.310 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001305753216 1069201930 /nfs/dbraw/zinc/20/19/30/1069201930.db2.gz UIVVVYQQTBMQBQ-PCCBWWKXSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001305753212 1069202183 /nfs/dbraw/zinc/20/21/83/1069202183.db2.gz UIVVVYQQTBMQBQ-ACRUOGEOSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(N(C)c3ccccc3)CC2)n1CC[NH+]1CCCC1 ZINC001305753985 1069203907 /nfs/dbraw/zinc/20/39/07/1069203907.db2.gz BTRQFFJMRZIVQK-UHFFFAOYSA-N 1 0 467.662 3.398 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@]1(C)CCCS1 ZINC001305755165 1069206369 /nfs/dbraw/zinc/20/63/69/1069206369.db2.gz KMFMDGVDMMHDDA-XMMPIXPASA-N 1 0 478.707 3.031 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305756197 1069209531 /nfs/dbraw/zinc/20/95/31/1069209531.db2.gz DGEHEDLIVHOGEG-FQEVSTJZSA-N 1 0 489.709 3.058 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H]1CCC[C@H]1OC ZINC001305756654 1069211043 /nfs/dbraw/zinc/21/10/43/1069211043.db2.gz IWRCYGHLJCWZSV-DENIHFKCSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1cccs1 ZINC001305757094 1069212870 /nfs/dbraw/zinc/21/28/70/1069212870.db2.gz RJUXCHLNJAUJBL-UHFFFAOYSA-N 1 0 487.718 3.301 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001305757148 1069213285 /nfs/dbraw/zinc/21/32/85/1069213285.db2.gz TUIHDMGPVJTIKJ-UHFFFAOYSA-N 1 0 489.709 3.060 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCCC1CCOCC1 ZINC001305757144 1069213354 /nfs/dbraw/zinc/21/33/54/1069213354.db2.gz SXBXFAIZLFAYPN-JOCHJYFZSA-N 1 0 460.667 3.468 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001305758474 1069217341 /nfs/dbraw/zinc/21/73/41/1069217341.db2.gz FYYIWJQNZRBRHH-LJQANCHMSA-N 1 0 498.672 3.303 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001305758993 1069219972 /nfs/dbraw/zinc/21/99/72/1069219972.db2.gz NKJPKVUSYPGPIF-RUZDIDTESA-N 1 0 462.683 3.495 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCCC1 ZINC001305759598 1069221952 /nfs/dbraw/zinc/22/19/52/1069221952.db2.gz SICYHZCEZVANEG-UHFFFAOYSA-N 1 0 491.681 3.176 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001305759985 1069223143 /nfs/dbraw/zinc/22/31/43/1069223143.db2.gz VKXYWORNCBLAHZ-FQEVSTJZSA-N 1 0 491.681 3.032 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001305760146 1069223387 /nfs/dbraw/zinc/22/33/87/1069223387.db2.gz UIFBTIVRIQEKBJ-HXUWFJFHSA-N 1 0 496.704 3.341 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001305765668 1069236670 /nfs/dbraw/zinc/23/66/70/1069236670.db2.gz WPUSLVIKGCGAJQ-FYYLOGMGSA-N 1 0 496.656 3.251 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001305765856 1069236839 /nfs/dbraw/zinc/23/68/39/1069236839.db2.gz YOSZBLWTMDAPLD-RBBKRZOGSA-N 1 0 462.683 3.426 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001305765857 1069236885 /nfs/dbraw/zinc/23/68/85/1069236885.db2.gz YOSZBLWTMDAPLD-UNMCSNQZSA-N 1 0 462.683 3.426 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305765949 1069237286 /nfs/dbraw/zinc/23/72/86/1069237286.db2.gz ZTPZGWCWBFMUHX-HXUWFJFHSA-N 1 0 485.496 3.123 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305767858 1069239514 /nfs/dbraw/zinc/23/95/14/1069239514.db2.gz JAYUSTFCXLIOLF-QUCCMNQESA-N 1 0 486.665 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305770194 1069246054 /nfs/dbraw/zinc/24/60/54/1069246054.db2.gz URYXZMFGHVCMJD-PZJWPPBQSA-N 1 0 470.666 3.188 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1Cc1cnn(C)c1 ZINC001305771046 1069247130 /nfs/dbraw/zinc/24/71/30/1069247130.db2.gz WYBCGIKOZSRPNM-HXUWFJFHSA-N 1 0 470.666 3.071 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCn1c2ccccc2[nH]c1=O ZINC001305772125 1069250116 /nfs/dbraw/zinc/25/01/16/1069250116.db2.gz FHLLQKDBSGQPKZ-UHFFFAOYSA-N 1 0 496.660 3.263 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CSC)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001305773416 1069252576 /nfs/dbraw/zinc/25/25/76/1069252576.db2.gz BLLCZAQJTVFHJF-HXUWFJFHSA-N 1 0 478.707 3.173 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305773261 1069252740 /nfs/dbraw/zinc/25/27/40/1069252740.db2.gz WLCIEXKSISSEGY-JOCHJYFZSA-N 1 0 499.708 3.368 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001305775655 1069258256 /nfs/dbraw/zinc/25/82/56/1069258256.db2.gz CAWJEIHUFZHIFJ-UHFFFAOYSA-N 1 0 470.662 3.393 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001305776123 1069259203 /nfs/dbraw/zinc/25/92/03/1069259203.db2.gz UUEDFXFEQRQDKG-OAQYLSRUSA-N 1 0 473.710 3.383 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCCC3)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001305776122 1069259237 /nfs/dbraw/zinc/25/92/37/1069259237.db2.gz UUEDFXFEQRQDKG-NRFANRHFSA-N 1 0 473.710 3.383 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001305776745 1069261135 /nfs/dbraw/zinc/26/11/35/1069261135.db2.gz ZQRUWGWPDFKBKX-OAQYLSRUSA-N 1 0 460.667 3.468 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@]1(C)CCO[C@H]1C1CC1 ZINC001305779069 1069268130 /nfs/dbraw/zinc/26/81/30/1069268130.db2.gz KDMUZVGMEGRQFA-CPJSRVTESA-N 1 0 460.667 3.322 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001305779582 1069268947 /nfs/dbraw/zinc/26/89/47/1069268947.db2.gz NBGOIPSTNLHDKB-FQEVSTJZSA-N 1 0 493.697 3.276 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1CC1([NH+](C)C)CCC1 ZINC001305780491 1069271141 /nfs/dbraw/zinc/27/11/41/1069271141.db2.gz SBMPMCNIIIRXHN-UHFFFAOYSA-N 1 0 487.693 3.052 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CC[NH+]1CCCC1 ZINC001305782548 1069274972 /nfs/dbraw/zinc/27/49/72/1069274972.db2.gz CFHUYURFEJXZIX-UHFFFAOYSA-N 1 0 467.662 3.236 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001305783948 1069278899 /nfs/dbraw/zinc/27/88/99/1069278899.db2.gz OWUPPFSHJXGLHG-HXUWFJFHSA-N 1 0 485.652 3.394 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC(=O)N1CCCCC1 ZINC001305785231 1069284650 /nfs/dbraw/zinc/28/46/50/1069284650.db2.gz JLUYFRMAMCCKPO-UHFFFAOYSA-N 1 0 487.693 3.054 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305785290 1069285057 /nfs/dbraw/zinc/28/50/57/1069285057.db2.gz CMBBPOHVLIBYTR-GOSISDBHSA-N 1 0 483.652 3.094 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001305785363 1069285139 /nfs/dbraw/zinc/28/51/39/1069285139.db2.gz FDTKKXJWMPDSBZ-MSOLQXFVSA-N 1 0 460.598 3.334 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC(F)F)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305785291 1069285319 /nfs/dbraw/zinc/28/53/19/1069285319.db2.gz CMBBPOHVLIBYTR-SFHVURJKSA-N 1 0 483.652 3.094 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001305785664 1069286862 /nfs/dbraw/zinc/28/68/62/1069286862.db2.gz JENXQUPHIBSBIR-LJQANCHMSA-N 1 0 483.661 3.492 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001305785663 1069287011 /nfs/dbraw/zinc/28/70/11/1069287011.db2.gz JENXQUPHIBSBIR-IBGZPJMESA-N 1 0 483.661 3.492 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCC1CCOCC1 ZINC001305786123 1069288965 /nfs/dbraw/zinc/28/89/65/1069288965.db2.gz QPSZOTRZVAQWDT-FQEVSTJZSA-N 1 0 490.693 3.093 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1Cc1nc(C(C)C)cs1 ZINC001305786884 1069291801 /nfs/dbraw/zinc/29/18/01/1069291801.db2.gz CRHSIAIUDNEFAQ-UHFFFAOYSA-N 1 0 459.664 3.357 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1Cc1ccccc1F ZINC001305786927 1069291961 /nfs/dbraw/zinc/29/19/61/1069291961.db2.gz IQDIEMYSQUSNOO-NHCUHLMSSA-N 1 0 499.679 3.379 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccccc1COC ZINC001305787775 1069294980 /nfs/dbraw/zinc/29/49/80/1069294980.db2.gz FGCZVZNZHLACOX-QFIPXVFZSA-N 1 0 454.619 3.066 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CC)C2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001305790791 1069302536 /nfs/dbraw/zinc/30/25/36/1069302536.db2.gz GKNMCDVDAQAGSZ-QFIPXVFZSA-N 1 0 469.634 3.123 20 0 JGADRO Cc1sc(C(=O)N[C@@H]2[C@H]([NH3+])CCCC2(F)F)cc1-c1cnn2cc(-c3cnn(C)c3)cnc12 ZINC000043202545 526873663 /nfs/dbraw/zinc/87/36/63/526873663.db2.gz SFILVHFYISPBOI-IEBWSBKVSA-N 1 0 471.537 3.412 20 0 JGADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1CN1CC[C@H](CO)C1 ZINC001164389149 718815157 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/nfs/dbraw/zinc/00/96/12/719009612.db2.gz BMODXIHDFLSFDU-BTYIYWSLSA-N 1 0 471.932 3.216 20 0 JGADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001164615592 719010450 /nfs/dbraw/zinc/01/04/50/719010450.db2.gz JBRXTRNKOPXJMT-VLIAUNLRSA-N 1 0 453.921 3.306 20 0 JGADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164615206 719010654 /nfs/dbraw/zinc/01/06/54/719010654.db2.gz HORZAQFFRQAQEY-HRAATJIYSA-N 1 0 454.949 3.313 20 0 JGADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164618291 719017289 /nfs/dbraw/zinc/01/72/89/719017289.db2.gz SAHSDGSBCOXKLK-NEWSRXKRSA-N 1 0 469.655 3.142 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)CC2)CC1 ZINC001164618492 719026369 /nfs/dbraw/zinc/02/63/69/719026369.db2.gz XLQIPOOGAXXHLF-GOSISDBHSA-N 1 0 477.009 3.423 20 0 JGADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)CC2)CC1 ZINC001164616414 719028905 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ROCICCYULNTVQO-UHFFFAOYSA-N 1 0 473.595 3.368 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164716336 720056093 /nfs/dbraw/zinc/05/60/93/720056093.db2.gz VLFWAOBONXQMBX-QSHYMPABSA-N 1 0 464.614 3.222 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)C2 ZINC001164807366 720079271 /nfs/dbraw/zinc/07/92/71/720079271.db2.gz FCQSXKXLCZRSPJ-RLWLMLJZSA-N 1 0 495.649 3.161 20 0 JGADRO O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC001164709407 720082453 /nfs/dbraw/zinc/08/24/53/720082453.db2.gz DRQIUCYQPLCTOP-OARDWFSCSA-N 1 0 476.621 3.015 20 0 JGADRO O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCC1 ZINC001164709377 720087941 /nfs/dbraw/zinc/08/79/41/720087941.db2.gz DKTACTRDGPFXPQ-SJBKTWHCSA-N 1 0 496.986 3.032 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164709527 720102044 /nfs/dbraw/zinc/10/20/44/720102044.db2.gz ACHMCCOWJZKDKD-OAQYLSRUSA-N 1 0 494.665 3.430 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)C2 ZINC001164813762 720114076 /nfs/dbraw/zinc/11/40/76/720114076.db2.gz QKKQBWHIRJVJCJ-IUKKYPGJSA-N 1 0 461.010 3.364 20 0 JGADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164719652 720114284 /nfs/dbraw/zinc/11/42/84/720114284.db2.gz ZSODPQKPKBPDHW-LJQANCHMSA-N 1 0 474.005 3.138 20 0 JGADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)nc2N1C1CCCC1 ZINC001164815923 720114993 /nfs/dbraw/zinc/11/49/93/720114993.db2.gz XLUSKBQDMNHWOL-ZIHSNCGMSA-N 1 0 482.673 3.165 20 0 JGADRO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)nc2N1C1CCCC1 ZINC001164810530 720115279 /nfs/dbraw/zinc/11/52/79/720115279.db2.gz JYUCCUYYVWQEBP-SNOBZRMMSA-N 1 0 468.646 3.141 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164714858 720117539 /nfs/dbraw/zinc/11/75/39/720117539.db2.gz CRTGJEAVGCYZNT-HXUWFJFHSA-N 1 0 452.603 3.364 20 0 JGADRO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716155 720117790 /nfs/dbraw/zinc/11/77/90/720117790.db2.gz JFLWTHHAOBIFDI-OAQYLSRUSA-N 1 0 465.598 3.433 20 0 JGADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164718601 720118810 /nfs/dbraw/zinc/11/88/10/720118810.db2.gz TUBLOVQNLCFDLR-LJQANCHMSA-N 1 0 474.005 3.138 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ncn3Cc1ccccc1F)C2 ZINC001164816139 720135492 /nfs/dbraw/zinc/13/54/92/720135492.db2.gz XQWJVSFZTSBJRT-NBGIEHNGSA-N 1 0 450.562 3.198 20 0 JGADRO CCOC(=O)c1ncnc(Cl)c1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164711249 720137696 /nfs/dbraw/zinc/13/76/96/720137696.db2.gz GKTXIAFRCQOGCU-GOSISDBHSA-N 1 0 459.978 3.209 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164713582 720142699 /nfs/dbraw/zinc/14/26/99/720142699.db2.gz SGLWQWVKNDMMQT-MRXNPFEDSA-N 1 0 477.947 3.405 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)N(C)C)cc1Cl)CC2 ZINC001164714857 720145499 /nfs/dbraw/zinc/14/54/99/720145499.db2.gz ZWLQNWSIHVXQNX-HXUWFJFHSA-N 1 0 458.006 3.339 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)ccc1NC(=O)C(C)(C)C)C2 ZINC001164815021 720147879 /nfs/dbraw/zinc/14/78/79/720147879.db2.gz GVTFJWVBAGFRNI-AVRWGWEMSA-N 1 0 458.603 3.038 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715817 720167632 /nfs/dbraw/zinc/16/76/32/720167632.db2.gz WXZAWLDGZWVNCK-INIZCTEOSA-N 1 0 461.344 3.278 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cc(Cl)cnc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715603 720170294 /nfs/dbraw/zinc/17/02/94/720170294.db2.gz VCMGGGJUSWQIJJ-MRXNPFEDSA-N 1 0 461.344 3.278 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1ccnc(Cl)c1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713874 720170354 /nfs/dbraw/zinc/17/03/54/720170354.db2.gz MMDKUPGRIZLCRH-OAHLLOKOSA-N 1 0 461.344 3.278 20 0 JGADRO Cn1nnc2c1CCN(c1ccc(-c3ccc(Cl)cc3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713500 720170960 /nfs/dbraw/zinc/17/09/60/720170960.db2.gz LNENQXACKVKHTQ-OAQYLSRUSA-N 1 0 453.978 3.142 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)C2 ZINC001164815972 720180583 /nfs/dbraw/zinc/18/05/83/720180583.db2.gz JEFFEAVDJUEBGK-RLWLMLJZSA-N 1 0 450.583 3.490 20 0 JGADRO COc1ccc2c(cc(Cl)nc2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164713985 720190329 /nfs/dbraw/zinc/19/03/29/720190329.db2.gz FLWUQQLFDCMALX-FQEVSTJZSA-N 1 0 456.978 3.242 20 0 JGADRO COC(=O)c1ccc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2C)cc1 ZINC001164717615 720194856 /nfs/dbraw/zinc/19/48/56/720194856.db2.gz VDQIENLBUYYPHX-XMMPIXPASA-N 1 0 490.608 3.188 20 0 JGADRO COC(=O)c1ccc(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2C)cc1 ZINC001164717613 720195226 /nfs/dbraw/zinc/19/52/26/720195226.db2.gz VDQIENLBUYYPHX-DEOSSOPVSA-N 1 0 490.608 3.188 20 0 JGADRO Cn1nnc2c1CCN(c1ccc(-c3cccc(Cl)c3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717717 720196933 /nfs/dbraw/zinc/19/69/33/720196933.db2.gz WLNSNPQPQJTHAI-NRFANRHFSA-N 1 0 453.978 3.142 20 0 JGADRO Cn1nnc2c1CCN(c1ncccc1OCc1ccc(F)cc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713351 720199785 /nfs/dbraw/zinc/19/97/85/720199785.db2.gz BJRYPCNASDIGTM-QFIPXVFZSA-N 1 0 466.561 3.144 20 0 JGADRO Cn1nnc2c1CCN(c1cc(F)ccc1-c1ccc(Cl)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718161 720199912 /nfs/dbraw/zinc/19/99/12/720199912.db2.gz XZRXDCUGWKDHKF-NRFANRHFSA-N 1 0 471.968 3.281 20 0 JGADRO Cn1nnc2c1CCN(c1nc(-c3ccncc3)nc3sccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713720 720202580 /nfs/dbraw/zinc/20/25/80/720202580.db2.gz CPVVLPCTPQFITD-HXUWFJFHSA-N 1 0 476.610 3.098 20 0 JGADRO Cn1nnc2c1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164713300 720203442 /nfs/dbraw/zinc/20/34/42/720203442.db2.gz APUOCMJJGBALSK-IBGZPJMESA-N 1 0 477.009 3.035 20 0 JGADRO Cn1nnc2c1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713302 720204147 /nfs/dbraw/zinc/20/41/47/720204147.db2.gz APUOCMJJGBALSK-LJQANCHMSA-N 1 0 477.009 3.035 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719322 720205003 /nfs/dbraw/zinc/20/50/03/720205003.db2.gz RIMMTKNLMPAKRI-HNNXBMFYSA-N 1 0 477.343 3.158 20 0 JGADRO CCOC(=O)c1cnc(Cl)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1Cl ZINC001164810283 720215404 /nfs/dbraw/zinc/21/54/04/720215404.db2.gz BAUUSGSYVDTHNT-UHFFFAOYSA-N 1 0 468.385 3.372 20 0 JGADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CCC2 ZINC001164813494 720216501 /nfs/dbraw/zinc/21/65/01/720216501.db2.gz QCXACQZZAKDPHF-UHFFFAOYSA-N 1 0 483.791 3.187 20 0 JGADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164811928 720218983 /nfs/dbraw/zinc/21/89/83/720218983.db2.gz AVAYNZZIEAUNMP-UHFFFAOYSA-N 1 0 482.610 3.189 20 0 JGADRO CCOC(=O)c1cc2c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)[nH]c(C)c(C)c-2n1 ZINC001164814763 720227502 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C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)nn1 ZINC001164923420 721851961 /nfs/dbraw/zinc/85/19/61/721851961.db2.gz AKQVSYPSPHPSKC-DQEYMECFSA-N 1 0 486.599 3.242 20 0 JGADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CC[NH+](C3CCCC3)CC2)C1=O ZINC001165031616 721859296 /nfs/dbraw/zinc/85/92/96/721859296.db2.gz DSWIARHUGYCYAX-QFIPXVFZSA-N 1 0 450.990 3.081 20 0 JGADRO O=C(CO[C@H]1CO[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)C1)N1CCCC1 ZINC001164939571 721919872 /nfs/dbraw/zinc/91/98/72/721919872.db2.gz UTOFIJMQROBVKA-XXBNENTESA-N 1 0 496.986 3.033 20 0 JGADRO COC(=O)C1CCN(c2ccnc(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)n2)CC1 ZINC001164939525 721928771 /nfs/dbraw/zinc/92/87/71/721928771.db2.gz LZNYJLNSIBXVPF-UHFFFAOYSA-N 1 0 479.625 3.046 20 0 JGADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(CN5C(=O)NC(C)(C)C5=O)cn4)CC3)C2)cc1 ZINC001164939024 721931259 /nfs/dbraw/zinc/93/12/59/721931259.db2.gz HHUFQWFTDDEGOJ-UHFFFAOYSA-N 1 0 477.609 3.092 20 0 JGADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164950266 721964597 /nfs/dbraw/zinc/96/45/97/721964597.db2.gz ZXUYMSVBDWIGSU-NHCUHLMSSA-N 1 0 479.959 3.351 20 0 JGADRO CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)C1 ZINC001164955389 722011598 /nfs/dbraw/zinc/01/15/98/722011598.db2.gz VIPXXHDPPLPNHX-LAUBAEHRSA-N 1 0 469.964 3.056 20 0 JGADRO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C2)C1 ZINC001164955388 722011673 /nfs/dbraw/zinc/01/16/73/722011673.db2.gz VIPXXHDPPLPNHX-DYESRHJHSA-N 1 0 469.964 3.056 20 0 JGADRO Cc1ccc(N(c2ncnc3c2CN(Cc2ccccc2)CC3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164962690 722025355 /nfs/dbraw/zinc/02/53/55/722025355.db2.gz QXFNEMGLNUWXQE-AMGIVPHBSA-N 1 0 471.609 3.183 20 0 JGADRO Cc1sc2nc(CN3CCOCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)c2c1C ZINC001164960500 722051101 /nfs/dbraw/zinc/05/11/01/722051101.db2.gz PYVWBWTVGASQNI-DCLXLUIPSA-N 1 0 494.665 3.440 20 0 JGADRO Cc1sc2nc(CN3CCOCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)c2c1C ZINC001164960503 722051203 /nfs/dbraw/zinc/05/12/03/722051203.db2.gz PYVWBWTVGASQNI-YOSAUDMPSA-N 1 0 494.665 3.440 20 0 JGADRO Cc1cc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc(N3CCOCC3)c2s1 ZINC001164963916 722057629 /nfs/dbraw/zinc/05/76/29/722057629.db2.gz PQKNTYHLEIVBTG-UHFFFAOYSA-N 1 0 494.665 3.350 20 0 JGADRO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2s1 ZINC001164963264 722057950 /nfs/dbraw/zinc/05/79/50/722057950.db2.gz UXIVHNWLAQIXIE-UHFFFAOYSA-N 1 0 467.595 3.382 20 0 JGADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC3)C2)ccn1 ZINC001164961571 722059828 /nfs/dbraw/zinc/05/98/28/722059828.db2.gz MAGKAZVKRGEXIO-UHFFFAOYSA-N 1 0 473.577 3.429 20 0 JGADRO COc1cc(C(F)(F)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(Cl)n1 ZINC001164963241 722062507 /nfs/dbraw/zinc/06/25/07/722062507.db2.gz BJLAVBPXSCLUHW-UHFFFAOYSA-N 1 0 453.921 3.198 20 0 JGADRO COC(=O)c1nc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)n1 ZINC001164966131 722062519 /nfs/dbraw/zinc/06/25/19/722062519.db2.gz OLOXIACJIGDSKE-UHFFFAOYSA-N 1 0 466.369 3.084 20 0 JGADRO CC(C)C(=O)N1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164979314 722088788 /nfs/dbraw/zinc/08/87/88/722088788.db2.gz YUQVDRMRDLLOOG-HSZRJFAPSA-N 1 0 496.002 3.000 20 0 JGADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164978315 722102875 /nfs/dbraw/zinc/10/28/75/722102875.db2.gz GRHHOOUZRPOBCI-RXVVDRJESA-N 1 0 467.957 3.192 20 0 JGADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164981395 722107574 /nfs/dbraw/zinc/10/75/74/722107574.db2.gz LHMDIOMIODMGPP-AEFFLSMTSA-N 1 0 466.916 3.189 20 0 JGADRO COc1cc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164974913 722110130 /nfs/dbraw/zinc/11/01/30/722110130.db2.gz IVLYOWXKKPPIKS-VGOFRKELSA-N 1 0 469.973 3.423 20 0 JGADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1)OCC ZINC001164975099 722118495 /nfs/dbraw/zinc/11/84/95/722118495.db2.gz JKWWYCRERSEOAW-FPOVZHCZSA-N 1 0 476.021 3.194 20 0 JGADRO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972528 722125037 /nfs/dbraw/zinc/12/50/37/722125037.db2.gz FXOVSRGDDUAQBC-QUCCMNQESA-N 1 0 458.006 3.386 20 0 JGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[C@@H]3C2)c1 ZINC001164982164 722127342 /nfs/dbraw/zinc/12/73/42/722127342.db2.gz WCYNAYOPFYIXIJ-RCZVLFRGSA-N 1 0 486.624 3.046 20 0 JGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@H]3C2)c1 ZINC001164980320 722142678 /nfs/dbraw/zinc/14/26/78/722142678.db2.gz MTBJYWWUORWHFM-SQJMNOBHSA-N 1 0 459.550 3.037 20 0 JGADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164981595 722151307 /nfs/dbraw/zinc/15/13/07/722151307.db2.gz PJSQPKDUDRQXRV-XZOQPEGZSA-N 1 0 458.566 3.160 20 0 JGADRO CN1c2ccccc2[C@]2(CCN(c3nccc(NC(=O)C(C)(C)C)c3C[N@@H+]3CC[C@@H](CO)C3)C2)C1=O ZINC001164977641 722162551 /nfs/dbraw/zinc/16/25/51/722162551.db2.gz GJBFGJRJUCRMCK-WHLCRQNOSA-N 1 0 491.636 3.005 20 0 JGADRO c1coc(CN=c2ccnc([C@@H]3COCCN3)n2-c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001164986336 722173101 /nfs/dbraw/zinc/17/31/01/722173101.db2.gz KAQHRZHOTKOZGT-VWLOTQADSA-N 1 0 482.588 3.180 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1 ZINC001164999428 722219067 /nfs/dbraw/zinc/21/90/67/722219067.db2.gz QTYHMIAOGVVKMR-ZEQKJWHPSA-N 1 0 462.598 3.455 20 0 JGADRO COCCO[C@H]1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]1Cc1cnn(C)c1 ZINC001164997435 722223105 /nfs/dbraw/zinc/22/31/05/722223105.db2.gz DPAIJLPBHLHSGJ-UIOOFZCWSA-N 1 0 461.610 3.226 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)nc1 ZINC001165006052 722244770 /nfs/dbraw/zinc/24/47/70/722244770.db2.gz WXXXCQZNLCKEOT-CQOQZXRMSA-N 1 0 451.615 3.335 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1ccn3Cc1cccc(F)c1)CCC2 ZINC001165001658 722254255 /nfs/dbraw/zinc/25/42/55/722254255.db2.gz FQBPSKIAACTCIZ-UHFFFAOYSA-N 1 0 463.561 3.304 20 0 JGADRO COc1ccc(Oc2cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc(C)n2)cc1 ZINC001165004489 722257695 /nfs/dbraw/zinc/25/76/95/722257695.db2.gz SQJYNSIYDQQBBC-UHFFFAOYSA-N 1 0 452.559 3.271 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(CC)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001305793565 1069310125 /nfs/dbraw/zinc/31/01/25/1069310125.db2.gz YTRLWRXSNFXYAA-VWLOTQADSA-N 1 0 456.635 3.312 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1CC[NH+]1CCCCCC1 ZINC001305794211 1069312007 /nfs/dbraw/zinc/31/20/07/1069312007.db2.gz JIKRBMOETWDBIK-NRFANRHFSA-N 1 0 458.607 3.243 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1CCC1CC[NH+](CC)CC1 ZINC001305794736 1069312756 /nfs/dbraw/zinc/31/27/56/1069312756.db2.gz FSVYHVUDKHBYOF-UHFFFAOYSA-N 1 0 460.667 3.325 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305795504 1069314792 /nfs/dbraw/zinc/31/47/92/1069314792.db2.gz PSTKBRFQPISGEH-OAQYLSRUSA-N 1 0 472.634 3.489 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001305797646 1069318939 /nfs/dbraw/zinc/31/89/39/1069318939.db2.gz GNGTWWSYDHEPCC-QIJUGHKUSA-N 1 0 456.635 3.015 20 0 JGADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)Oc1ccccc1F ZINC001305802339 1069325419 /nfs/dbraw/zinc/32/54/19/1069325419.db2.gz CYZLIIWIZMVFPL-IPMKNSEASA-N 1 0 458.582 3.086 20 0 JGADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(c2ccccc2)CC1)[NH+]1CCCC1 ZINC001305802617 1069325991 /nfs/dbraw/zinc/32/59/91/1069325991.db2.gz GOMUATMNNIKMCC-NRFANRHFSA-N 1 0 453.635 3.007 20 0 JGADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1)[NH+]1CCCC1 ZINC001305802526 1069326130 /nfs/dbraw/zinc/32/61/30/1069326130.db2.gz DEBQQTVGAWZKJY-STZQEDGTSA-N 1 0 472.609 3.396 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001305804526 1069329595 /nfs/dbraw/zinc/32/95/95/1069329595.db2.gz SQAVXHXQHOFRNM-LJQANCHMSA-N 1 0 491.681 3.174 20 0 JGADRO CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC001305804634 1069329645 /nfs/dbraw/zinc/32/96/45/1069329645.db2.gz HWXDTEYPFJXDJL-CTNGQTDRSA-N 1 0 463.586 3.061 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1C)[NH+]1CCCC1 ZINC001305805737 1069332810 /nfs/dbraw/zinc/33/28/10/1069332810.db2.gz LQEVYBJHGRYCFW-SJBKTWHCSA-N 1 0 474.675 3.413 20 0 JGADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC001305805821 1069333085 /nfs/dbraw/zinc/33/30/85/1069333085.db2.gz YVGQBUDIZRCRNV-VWNXMTODSA-N 1 0 481.689 3.215 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001305807490 1069336180 /nfs/dbraw/zinc/33/61/80/1069336180.db2.gz ITTYLDDIGAGEIY-IBGZPJMESA-N 1 0 470.643 3.157 20 0 JGADRO CC[C@@H](Cn1c(C)nnc1N1CCN(C(=O)N(CC)CC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001305807501 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/nfs/dbraw/zinc/33/97/75/1069339775.db2.gz AJJKMWUZZFAIAP-UHFFFAOYSA-N 1 0 458.050 3.440 20 0 JGADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCn1cccn1)[NH+]1CCCC1 ZINC001305810277 1069340059 /nfs/dbraw/zinc/34/00/59/1069340059.db2.gz LUJSZFVDDXRMKL-GOSISDBHSA-N 1 0 475.439 3.253 20 0 JGADRO CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCCC1 ZINC001305810603 1069340246 /nfs/dbraw/zinc/34/02/46/1069340246.db2.gz PPBRIYCFKDRINT-UYAOXDASSA-N 1 0 472.609 3.394 20 0 JGADRO CC[C@@H](Cn1c(C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001305812800 1069343420 /nfs/dbraw/zinc/34/34/20/1069343420.db2.gz XWKQLTDVOCFRNN-NRFANRHFSA-N 1 0 471.650 3.148 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OCC(C)C)C1)[NH+]1CCCC1 ZINC001305814482 1069346203 /nfs/dbraw/zinc/34/62/03/1069346203.db2.gz IDBRZQKJTYJEBY-FGZHOGPDSA-N 1 0 489.686 3.474 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CCCO)CC1)[NH+]1CCCC1 ZINC001305813340 1069344052 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/nfs/dbraw/zinc/37/06/19/1069370619.db2.gz AEIGXIGDQSHFML-MSOLQXFVSA-N 1 0 456.557 3.315 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305831897 1069372724 /nfs/dbraw/zinc/37/27/24/1069372724.db2.gz GMSPQKOGJUAOSA-NCXUSEDFSA-N 1 0 450.628 3.004 20 0 JGADRO CC[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCOCC1)[NH+]1CCCC1 ZINC001305836193 1069378286 /nfs/dbraw/zinc/37/82/86/1069378286.db2.gz UPDWTFAKVBNLQW-PMACEKPBSA-N 1 0 462.639 3.104 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001305836462 1069378602 /nfs/dbraw/zinc/37/86/02/1069378602.db2.gz JZKQQZIYWOAIJV-GCJKJVERSA-N 1 0 459.038 3.454 20 0 JGADRO CC[C@H](Cn1c(CC(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)[NH+]1CCCC1 ZINC001305837236 1069380415 /nfs/dbraw/zinc/38/04/15/1069380415.db2.gz SMIPHXBEUDJXMZ-UYAOXDASSA-N 1 0 457.619 3.422 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305837360 1069381125 /nfs/dbraw/zinc/38/11/25/1069381125.db2.gz SNUCQDOARMMCBW-UXHICEINSA-N 1 0 476.666 3.492 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC001305837845 1069381532 /nfs/dbraw/zinc/38/15/32/1069381532.db2.gz PLARLYJEWUQQOG-XBYSBRQOSA-N 1 0 489.686 3.095 20 0 JGADRO CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[NH+]1CCCC1 ZINC001305838248 1069382602 /nfs/dbraw/zinc/38/26/02/1069382602.db2.gz QXDNRIAGNCEKJQ-NJDAHSKKSA-N 1 0 492.665 3.076 20 0 JGADRO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001305838761 1069383094 /nfs/dbraw/zinc/38/30/94/1069383094.db2.gz WQCAROJAVWCMBV-NJDAHSKKSA-N 1 0 476.666 3.350 20 0 JGADRO CC[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC([NH+](CC)CC)CC1)OC ZINC001305838756 1069383193 /nfs/dbraw/zinc/38/31/93/1069383193.db2.gz WJJBWOUJVINUNQ-QFIPXVFZSA-N 1 0 470.666 3.188 20 0 JGADRO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1)OC ZINC001305839668 1069386242 /nfs/dbraw/zinc/38/62/42/1069386242.db2.gz ZOMHEBGIPGTYNJ-FGZHOGPDSA-N 1 0 461.054 3.164 20 0 JGADRO CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1)[NH+]1CCCC1 ZINC001305839884 1069386605 /nfs/dbraw/zinc/38/66/05/1069386605.db2.gz WWFAZVMSDCQWTE-ZWKOTPCHSA-N 1 0 484.041 3.484 20 0 JGADRO CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+]1CCCC1 ZINC001305848487 1069399080 /nfs/dbraw/zinc/39/90/80/1069399080.db2.gz OLJVKDQANSITCG-DHIUTWEWSA-N 1 0 468.646 3.453 20 0 JGADRO CC[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1)[NH+]1CCCC1 ZINC001305847381 1069397696 /nfs/dbraw/zinc/39/76/96/1069397696.db2.gz UVYQNJWLQFGHPC-QFIPXVFZSA-N 1 0 468.646 3.079 20 0 JGADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+]1CCCC1 ZINC001305848492 1069399229 /nfs/dbraw/zinc/39/92/29/1069399229.db2.gz OLJVKDQANSITCG-PKTZIBPZSA-N 1 0 468.646 3.453 20 0 JGADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)OC ZINC001305850857 1069403477 /nfs/dbraw/zinc/40/34/77/1069403477.db2.gz UPZMLMKWKFJCGE-IYWMVGAKSA-N 1 0 462.639 3.148 20 0 JGADRO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCOCC1)[NH+]1CCCC1 ZINC001305850662 1069403600 /nfs/dbraw/zinc/40/36/00/1069403600.db2.gz QQYSVZXWHFRFFB-ZCNNSNEGSA-N 1 0 462.639 3.150 20 0 JGADRO CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001305849836 1069401560 /nfs/dbraw/zinc/40/15/60/1069401560.db2.gz VBYLFMZIMQHRSK-RTWAWAEBSA-N 1 0 454.619 3.050 20 0 JGADRO CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1)[NH+]1CCCC1 ZINC001305850370 1069402840 /nfs/dbraw/zinc/40/28/40/1069402840.db2.gz ZDSMWLUMXYUNPT-QFQXNSOFSA-N 1 0 468.646 3.311 20 0 JGADRO CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001305856979 1069411062 /nfs/dbraw/zinc/41/10/62/1069411062.db2.gz YPYMXYDINCZMHA-APEZIOSESA-N 1 0 453.674 3.078 20 0 JGADRO CCC(O)(CC)Cn1c(N2CC[NH+](C3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305859280 1069415137 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/nfs/dbraw/zinc/45/10/56/1069451056.db2.gz QBGVYDLLGKQBCZ-RBUKOAKNSA-N 1 0 454.685 3.025 20 0 JGADRO CCC1(CC)CN(c2nnc(-c3cnccn3)n2CC2(O)CC[NH+](C(C)C)CC2)CCS1 ZINC001305897174 1069453910 /nfs/dbraw/zinc/45/39/10/1069453910.db2.gz JGFLYGCWJIXIRC-UHFFFAOYSA-N 1 0 459.664 3.082 20 0 JGADRO CCC1(CC)CN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)CCS1 ZINC001305897433 1069454403 /nfs/dbraw/zinc/45/44/03/1069454403.db2.gz CGUKZRGVMFRRND-QHCPKHFHSA-N 1 0 459.660 3.078 20 0 JGADRO CCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCCC1 ZINC001305906490 1069462168 /nfs/dbraw/zinc/46/21/68/1069462168.db2.gz DRZCTYXZDMRPIG-GOSISDBHSA-N 1 0 486.583 3.291 20 0 JGADRO CCC1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@@H+](C(C)C)CC2)CCOCC1 ZINC001305911668 1069466086 /nfs/dbraw/zinc/46/60/86/1069466086.db2.gz JAZBHRSYFJUWSR-UHFFFAOYSA-N 1 0 474.675 3.397 20 0 JGADRO CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(CC(N)=O)CC2)[NH+](C)C)cc1 ZINC001305916358 1069470950 /nfs/dbraw/zinc/47/09/50/1069470950.db2.gz DSPNXLIJBSYIJA-XMMPIXPASA-N 1 0 475.641 3.221 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2CC)[NH+](C)C)cc1 ZINC001305916787 1069471437 /nfs/dbraw/zinc/47/14/37/1069471437.db2.gz NGOYYJGHLFIOBW-QMMLZNLJSA-N 1 0 462.664 3.132 20 0 JGADRO CCc1ccc(-c2nnc(N(C)[C@@H]3CCCc4c3cnn4C)n2CCOCC[NH+](C)C)cc1 ZINC001305916407 1069471447 /nfs/dbraw/zinc/47/14/47/1069471447.db2.gz DZDCRORMVWOYDE-JOCHJYFZSA-N 1 0 451.619 3.333 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC001305914294 1069469159 /nfs/dbraw/zinc/46/91/59/1069469159.db2.gz AZGFCYIPOIPETF-IWQHBPENSA-N 1 0 476.691 3.236 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(OC)C2)[NH+](C)C)cc1 ZINC001305916986 1069472061 /nfs/dbraw/zinc/47/20/61/1069472061.db2.gz FTCANQIPXGBSAP-WATLYSKOSA-N 1 0 454.619 3.100 20 0 JGADRO CCc1ccc([C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C(N)=O)CC2)[NH+](C)C)cc1 ZINC001305917748 1069472464 /nfs/dbraw/zinc/47/24/64/1069472464.db2.gz IJAMBULWPMJJRF-JOCHJYFZSA-N 1 0 466.655 3.497 20 0 JGADRO CCc1ccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)[NH+](C)C)cc1 ZINC001305918328 1069473171 /nfs/dbraw/zinc/47/31/71/1069473171.db2.gz LPEBYYSAUSRNRJ-WMZHIEFXSA-N 1 0 488.702 3.271 20 0 JGADRO CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC001305920240 1069475775 /nfs/dbraw/zinc/47/57/75/1069475775.db2.gz XKEXJBVHCYCADD-OZIGNCPNSA-N 1 0 476.691 3.378 20 0 JGADRO CCc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)NC3CC3)CC2)[NH+](C)C)cc1 ZINC001305920565 1069475843 /nfs/dbraw/zinc/47/58/43/1069475843.db2.gz SPNDEGQHQDLOKA-XMMPIXPASA-N 1 0 495.716 3.133 20 0 JGADRO CCc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C(=O)OC)CC2)[NH+](C)C)cc1 ZINC001305921050 1069476778 /nfs/dbraw/zinc/47/67/78/1069476778.db2.gz QZOSGTYIDJPZFN-FGZHOGPDSA-N 1 0 455.603 3.384 20 0 JGADRO CCc1ccc([C@H](Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@H]2C)[NH+](C)C)cc1 ZINC001305921361 1069476811 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/nfs/dbraw/zinc/13/86/65/1064138665.db2.gz LJLRCTXDAMBFLX-FGZHOGPDSA-N 1 0 473.687 3.227 20 0 JGADRO CN(Cc1cc(Br)cs1)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCCC1 ZINC001298259984 1064155110 /nfs/dbraw/zinc/15/51/10/1064155110.db2.gz JRHVZTBBNZTLJZ-UHFFFAOYSA-N 1 0 490.431 3.482 20 0 JGADRO CN(Cc1ccc(Br)cc1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001298274648 1064165025 /nfs/dbraw/zinc/16/50/25/1064165025.db2.gz KBUMFOSZOXMVNN-PZJWPPBQSA-N 1 0 492.462 3.418 20 0 JGADRO CN(Cc1ccc(Br)o1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001298280639 1064167703 /nfs/dbraw/zinc/16/77/03/1064167703.db2.gz HWRCKKNEWRPAHV-HUUCEWRRSA-N 1 0 477.363 3.117 20 0 JGADRO CN(Cc1ccc(Br)o1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001298280641 1064167790 /nfs/dbraw/zinc/16/77/90/1064167790.db2.gz HWRCKKNEWRPAHV-LSDHHAIUSA-N 1 0 477.363 3.117 20 0 JGADRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC001298281762 1064168437 /nfs/dbraw/zinc/16/84/37/1064168437.db2.gz RFKBSXBXVHWCBP-ZDUSSCGKSA-N 1 0 458.399 3.145 20 0 JGADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc([C@H]2CCOC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001298292182 1064176990 /nfs/dbraw/zinc/17/69/90/1064176990.db2.gz KWFPQKNLDJHXRU-FCHUYYIVSA-N 1 0 454.619 3.028 20 0 JGADRO CN(Cc1ccc(C(N)=O)cc1)c1nnc(CC2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298293570 1064178028 /nfs/dbraw/zinc/17/80/28/1064178028.db2.gz YMGULJJSBHOHAC-DEOSSOPVSA-N 1 0 456.660 3.183 20 0 JGADRO CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C(F)F ZINC001298312727 1064188598 /nfs/dbraw/zinc/18/85/98/1064188598.db2.gz IAGKFQSTMQPUME-LJQANCHMSA-N 1 0 455.546 3.169 20 0 JGADRO CN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCC1 ZINC001298313918 1064189092 /nfs/dbraw/zinc/18/90/92/1064189092.db2.gz WOVSJMIXHBQEKA-IBGZPJMESA-N 1 0 481.613 3.361 20 0 JGADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298314499 1064189404 /nfs/dbraw/zinc/18/94/04/1064189404.db2.gz JXINCCBAGVNKEY-HSZRJFAPSA-N 1 0 494.612 3.189 20 0 JGADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298314500 1064189545 /nfs/dbraw/zinc/18/95/45/1064189545.db2.gz JXINCCBAGVNKEY-QHCPKHFHSA-N 1 0 494.612 3.189 20 0 JGADRO CN(Cc1ccc(OC(F)F)cc1)c1nnc([C@H]2CCCOC2)n1CC[NH+]1CCSCC1 ZINC001298314982 1064190103 /nfs/dbraw/zinc/19/01/03/1064190103.db2.gz NPFGONSACXHFHH-SFHVURJKSA-N 1 0 467.586 3.459 20 0 JGADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCCC1 ZINC001298318907 1064194580 /nfs/dbraw/zinc/19/45/80/1064194580.db2.gz FAFTYNZGTODGGI-PGUFJCEWSA-N 1 0 495.653 3.174 20 0 JGADRO CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(-c2cnccn2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001298321276 1064197582 /nfs/dbraw/zinc/19/75/82/1064197582.db2.gz UNIJWTCEQQQGOF-MGBGTMOVSA-N 1 0 467.643 3.231 20 0 JGADRO CN(Cc1cccc(Br)c1)c1nnc([C@@H]2CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001298324784 1064199518 /nfs/dbraw/zinc/19/95/18/1064199518.db2.gz ANZITXZNGCNUFV-GOSISDBHSA-N 1 0 478.435 3.292 20 0 JGADRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC001298327542 1064202821 /nfs/dbraw/zinc/20/28/21/1064202821.db2.gz CZUJHJBBCVHYFY-DEOSSOPVSA-N 1 0 452.595 3.277 20 0 JGADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298328048 1064203160 /nfs/dbraw/zinc/20/31/60/1064203160.db2.gz CIKOEFGMAPIJTQ-MSOLQXFVSA-N 1 0 450.509 3.225 20 0 JGADRO CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298328073 1064203264 /nfs/dbraw/zinc/20/32/64/1064203264.db2.gz DITIZIWSXBGHSF-LJQANCHMSA-N 1 0 480.579 3.463 20 0 JGADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](CO)Cc2ccccc21 ZINC001298335463 1064207892 /nfs/dbraw/zinc/20/78/92/1064207892.db2.gz YXHQAZJQTHVNRC-UNMCSNQZSA-N 1 0 453.583 3.210 20 0 JGADRO CN(Cc1cccc(Cl)c1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001298338108 1064208400 /nfs/dbraw/zinc/20/84/00/1064208400.db2.gz RYUXGLADKMOCNA-QFIPXVFZSA-N 1 0 455.006 3.401 20 0 JGADRO CN(Cc1cccc(F)c1)c1nnc(CNC(=O)c2cccs2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298339708 1064208629 /nfs/dbraw/zinc/20/86/29/1064208629.db2.gz BXPQNRUPQGHMSK-HSZRJFAPSA-N 1 0 488.658 3.482 20 0 JGADRO CN(Cc1cccc(F)c1)c1nnc(Cc2cccnc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298340867 1064209626 /nfs/dbraw/zinc/20/96/26/1064209626.db2.gz VIVDFTUSDNWRBV-UHFFFAOYSA-N 1 0 451.594 3.065 20 0 JGADRO Cn1cc(-c2nnc(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)n2CCCNC(=O)OC(C)(C)C)cn1 ZINC001298349177 1064212732 /nfs/dbraw/zinc/21/27/32/1064212732.db2.gz AKEFQEYYXYZVSF-JOCHJYFZSA-N 1 0 494.644 3.304 20 0 JGADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)C(C)(C)C)C1 ZINC001298349278 1064213349 /nfs/dbraw/zinc/21/33/49/1064213349.db2.gz BXKCGZKDDGJTKZ-QFIPXVFZSA-N 1 0 482.654 3.264 20 0 JGADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)C1 ZINC001298350777 1064214270 /nfs/dbraw/zinc/21/42/70/1064214270.db2.gz LXVBJBPKJLWCGT-MOPGFXCFSA-N 1 0 485.576 3.233 20 0 JGADRO 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C[N@H+](CCCn1c([C@@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298672260 1064456084 /nfs/dbraw/zinc/45/60/84/1064456084.db2.gz RWGGNNMSGSCRAC-IFMALSPDSA-N 1 0 481.707 3.230 20 0 JGADRO C[N@H+](CCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298672265 1064456144 /nfs/dbraw/zinc/45/61/44/1064456144.db2.gz RWGGNNMSGSCRAC-RBBKRZOGSA-N 1 0 481.707 3.230 20 0 JGADRO CCc1c(C)nn(-c2cccc(C(=O)N[C@@H](CC(C)C)C(=O)N3CC[C@H]([NH+](C)C)C3)c2)c1C ZINC001298677539 1064467170 /nfs/dbraw/zinc/46/71/70/1064467170.db2.gz UVFMHNJJAPITFK-UPVQGACJSA-N 1 0 453.631 3.359 20 0 JGADRO CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccccc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298682014 1064473319 /nfs/dbraw/zinc/47/33/19/1064473319.db2.gz VQKXWBURPLXURU-DEOSSOPVSA-N 1 0 456.660 3.125 20 0 JGADRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(-c2ccc[nH]2)nnc1N1CCOC2(CCC2)C1 ZINC001298682831 1064475101 /nfs/dbraw/zinc/47/51/01/1064475101.db2.gz KFVYDBHPKUPBOC-UHFFFAOYSA-N 1 0 487.649 3.269 20 0 JGADRO 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C[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CCCC1 ZINC001298710065 1064515672 /nfs/dbraw/zinc/51/56/72/1064515672.db2.gz XCXFTDSJAQPJJS-LEWJYISDSA-N 1 0 474.694 3.425 20 0 JGADRO C[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CCCCC1 ZINC001298712954 1064520568 /nfs/dbraw/zinc/52/05/68/1064520568.db2.gz DBMBNZRINVEFGN-SFTDATJTSA-N 1 0 474.694 3.425 20 0 JGADRO C[N@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1)C1CCCC1 ZINC001298712982 1064521290 /nfs/dbraw/zinc/52/12/90/1064521290.db2.gz NVFYPSFBELPBQL-UHFFFAOYSA-N 1 0 459.038 3.489 20 0 JGADRO C[N@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CCCCC1 ZINC001298713482 1064521714 /nfs/dbraw/zinc/52/17/14/1064521714.db2.gz SSTQQBNHXXNMSP-IBGZPJMESA-N 1 0 456.610 3.364 20 0 JGADRO CN(CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001298713436 1064521790 /nfs/dbraw/zinc/52/17/90/1064521790.db2.gz YBFUJSYSGLTDIY-OAQYLSRUSA-N 1 0 469.634 3.195 20 0 JGADRO C[N@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)C1CCCCC1 ZINC001298714022 1064523251 /nfs/dbraw/zinc/52/32/51/1064523251.db2.gz XQGVFSZWBFJAKY-FQEVSTJZSA-N 1 0 456.610 3.364 20 0 JGADRO CN(C[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+](C)Cc2ccccc2)C1)S(C)(=O)=O ZINC001298714006 1064523333 /nfs/dbraw/zinc/52/33/33/1064523333.db2.gz JRJYUWCWMMOJOH-JOCHJYFZSA-N 1 0 490.718 3.107 20 0 JGADRO C[N@H+](CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1)C1CCCC1 ZINC001298716374 1064525733 /nfs/dbraw/zinc/52/57/33/1064525733.db2.gz AFILWPJRAOBLOF-HNNXBMFYSA-N 1 0 481.428 3.350 20 0 JGADRO CN(CCn1c(CCc2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001298717713 1064528213 /nfs/dbraw/zinc/52/82/13/1064528213.db2.gz QDNCSPNWHNZCNJ-HSZRJFAPSA-N 1 0 498.672 3.089 20 0 JGADRO CN(CCN1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001298730125 1064545008 /nfs/dbraw/zinc/54/50/08/1064545008.db2.gz RZZFHQUQWAQNDH-XMMPIXPASA-N 1 0 495.647 3.253 20 0 JGADRO CN(CCNS(C)(=O)=O)c1nnc(-c2sc3ccccc3c2Cl)n1CC[N@H+]1CC=CCC1 ZINC001298740976 1064556454 /nfs/dbraw/zinc/55/64/54/1064556454.db2.gz YPUCSYCGZVGYMA-UHFFFAOYSA-N 1 0 495.074 3.061 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001298747466 1064558968 /nfs/dbraw/zinc/55/89/68/1064558968.db2.gz CADXQPNVRKZOPU-HSZRJFAPSA-N 1 0 498.672 3.057 20 0 JGADRO C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C ZINC001298757389 1064567095 /nfs/dbraw/zinc/56/70/95/1064567095.db2.gz DDXDOLODGMCDBK-QFIPXVFZSA-N 1 0 454.571 3.076 20 0 JGADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1nn(-c2ccccc2)cc1Br ZINC001298757651 1064567284 /nfs/dbraw/zinc/56/72/84/1064567284.db2.gz LRMAWYGCQVFXCA-UHFFFAOYSA-N 1 0 458.360 3.290 20 0 JGADRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001298757963 1064567854 /nfs/dbraw/zinc/56/78/54/1064567854.db2.gz UCQMTEGWEKLWDD-UHFFFAOYSA-N 1 0 459.344 3.358 20 0 JGADRO CN(CCOc1cccc(Cl)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298760222 1064568228 /nfs/dbraw/zinc/56/82/28/1064568228.db2.gz BLCGTYQCEFLOST-QHCPKHFHSA-N 1 0 493.077 3.006 20 0 JGADRO CN(CCOc1ccccc1Cl)c1nnc([C@@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298765163 1064573244 /nfs/dbraw/zinc/57/32/44/1064573244.db2.gz LUWLLPZUUCRLIA-VGSWGCGISA-N 1 0 466.051 3.388 20 0 JGADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(C)COC1 ZINC001298800675 1064597635 /nfs/dbraw/zinc/59/76/35/1064597635.db2.gz CFDORMYABVLBFC-UHFFFAOYSA-N 1 0 451.413 3.003 20 0 JGADRO Cn1cc(Br)cc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CC=CCO1 ZINC001298801923 1064600146 /nfs/dbraw/zinc/60/01/46/1064600146.db2.gz TWOBHMVGJJIBHI-KRWDZBQOSA-N 1 0 463.424 3.312 20 0 JGADRO Cn1cc(-c2nnc(N3CCC(OCC[NH+]4CCCC4)CC3)n2CC(C)(C)C(F)(F)F)cn1 ZINC001298811322 1064614042 /nfs/dbraw/zinc/61/40/42/1064614042.db2.gz PIHLGQSUMGYTHK-UHFFFAOYSA-N 1 0 469.556 3.348 20 0 JGADRO Cn1cc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC(F)(F)Br)cn1 ZINC001298816834 1064618239 /nfs/dbraw/zinc/61/82/39/1064618239.db2.gz KQAUDTYBUDDZQD-UHFFFAOYSA-N 1 0 458.355 3.121 20 0 JGADRO Cn1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2Cc2cccnc2OCC(F)F)cn1 ZINC001298817452 1064618931 /nfs/dbraw/zinc/61/89/31/1064618931.db2.gz CWYBAGJWWYUZGI-UHFFFAOYSA-N 1 0 488.587 3.324 20 0 JGADRO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N(CCN1CCOCC1)Cc1sccc1Br ZINC001298839868 1064642372 /nfs/dbraw/zinc/64/23/72/1064642372.db2.gz KJLYFPGRFLAOCI-AEFFLSMTSA-N 1 0 456.450 3.188 20 0 JGADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)c1 ZINC001298842626 1064645201 /nfs/dbraw/zinc/64/52/01/1064645201.db2.gz ZKFCWOSXZUVDSV-FQEVSTJZSA-N 1 0 456.547 3.121 20 0 JGADRO Cn1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001298842472 1064645277 /nfs/dbraw/zinc/64/52/77/1064645277.db2.gz MZZHVCJRJOEQPY-UHFFFAOYSA-N 1 0 457.573 3.487 20 0 JGADRO Cn1ccc(Nc2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001298843409 1064646042 /nfs/dbraw/zinc/64/60/42/1064646042.db2.gz XJJSRPYEBJTBMA-UHFFFAOYSA-N 1 0 471.009 3.461 20 0 JGADRO Cn1cccc1-c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCC1CCOCC1 ZINC001298860522 1064663145 /nfs/dbraw/zinc/66/31/45/1064663145.db2.gz ABEFDRHBYDMGMC-UHFFFAOYSA-N 1 0 484.567 3.191 20 0 JGADRO Cn1cccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cccc(Br)n1 ZINC001298862122 1064665613 /nfs/dbraw/zinc/66/56/13/1064665613.db2.gz OIFXDOHCXMXYNX-UHFFFAOYSA-N 1 0 458.408 3.410 20 0 JGADRO Cn1cccc1-c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCSCC(F)(F)F ZINC001298862953 1064667165 /nfs/dbraw/zinc/66/71/65/1064667165.db2.gz YMLROUIQCGIRCD-FQEVSTJZSA-N 1 0 494.587 3.435 20 0 JGADRO Cn1cnnc1Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298869778 1064673517 /nfs/dbraw/zinc/67/35/17/1064673517.db2.gz RUKBSLLGCOGTNP-UHFFFAOYSA-N 1 0 487.450 3.443 20 0 JGADRO CN(OC1CCCC1)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298878793 1064684053 /nfs/dbraw/zinc/68/40/53/1064684053.db2.gz MLMNRXIPDSNRIV-HXUWFJFHSA-N 1 0 450.381 3.085 20 0 JGADRO CN(Cc1cc(Br)cs1)c1nnc(-c2ccccc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298879275 1064684254 /nfs/dbraw/zinc/68/42/54/1064684254.db2.gz OKCCYLIRDVHLDZ-HXUWFJFHSA-N 1 0 462.417 3.472 20 0 JGADRO CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(-c2cccnc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298878774 1064684265 /nfs/dbraw/zinc/68/42/65/1064684265.db2.gz MHLYMZOEFUHSQD-NRFANRHFSA-N 1 0 464.467 3.201 20 0 JGADRO CN(CCCc1ccccn1)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298879757 1064685053 /nfs/dbraw/zinc/68/50/53/1064685053.db2.gz QRRLIICQWCFSKC-QHCPKHFHSA-N 1 0 485.430 3.238 20 0 JGADRO CN(CC1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001298879952 1064685856 /nfs/dbraw/zinc/68/58/56/1064685856.db2.gz SSIAQFICAVBWCI-AREMUKBSSA-N 1 0 484.645 3.095 20 0 JGADRO CN(Cc1ccc(Br)o1)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298881015 1064686845 /nfs/dbraw/zinc/68/68/45/1064686845.db2.gz BSFOMFGZWNPVGK-OAQYLSRUSA-N 1 0 494.365 3.055 20 0 JGADRO CN(CCOC(C)(C)C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298880814 1064686958 /nfs/dbraw/zinc/68/69/58/1064686958.db2.gz AKMQTOUZUSLGFC-JOCHJYFZSA-N 1 0 486.444 3.482 20 0 JGADRO C[N@@H+]1CC[C@@](O)(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001298881444 1064687488 /nfs/dbraw/zinc/68/74/88/1064687488.db2.gz FUKRWNLVXYZPMB-AMGIVPHBSA-N 1 0 498.672 3.014 20 0 JGADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(F)cc2Cl)CC1 ZINC001298886854 1064695919 /nfs/dbraw/zinc/69/59/19/1064695919.db2.gz HZVLZTIXPYLEGL-HXUWFJFHSA-N 1 0 477.028 3.354 20 0 JGADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001298887417 1064696473 /nfs/dbraw/zinc/69/64/73/1064696473.db2.gz JMYIQORJJGGFEO-GOSISDBHSA-N 1 0 493.578 3.072 20 0 JGADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001298889475 1064699454 /nfs/dbraw/zinc/69/94/54/1064699454.db2.gz UFLLRERSQGBSEQ-SFHVURJKSA-N 1 0 494.562 3.107 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C ZINC001298890020 1064700259 /nfs/dbraw/zinc/70/02/59/1064700259.db2.gz YSMBHJSTDJHSAY-HZPDHXFCSA-N 1 0 458.573 3.201 20 0 JGADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccccc3)n2CCCC(F)(F)F)CC1 ZINC001298890041 1064700369 /nfs/dbraw/zinc/70/03/69/1064700369.db2.gz ZFPAVKGORWFBIZ-GOSISDBHSA-N 1 0 450.509 3.030 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001298917077 1064718247 /nfs/dbraw/zinc/71/82/47/1064718247.db2.gz TURVACCVPBRNBA-CRAIPNDOSA-N 1 0 475.435 3.153 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001298948150 1064739599 /nfs/dbraw/zinc/73/95/99/1064739599.db2.gz GWFNLQXWKJFZBZ-UHFFFAOYSA-N 1 0 484.645 3.093 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(SC)CC[NH+](C)CC1 ZINC001298952384 1064743739 /nfs/dbraw/zinc/74/37/39/1064743739.db2.gz DAJNREYNDRNYSZ-QZTJIDSGSA-N 1 0 492.665 3.203 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@H+]1CC=CCC1 ZINC001298952540 1064744064 /nfs/dbraw/zinc/74/40/64/1064744064.db2.gz DSCPUJXPPQWMOE-TZIWHRDSSA-N 1 0 454.619 3.115 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001298959157 1064748696 /nfs/dbraw/zinc/74/86/96/1064748696.db2.gz VWTOOLTYNBDOBR-MRXNPFEDSA-N 1 0 496.628 3.192 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001298959155 1064748827 /nfs/dbraw/zinc/74/88/27/1064748827.db2.gz VWTOOLTYNBDOBR-INIZCTEOSA-N 1 0 496.628 3.192 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCCC1 ZINC001298964168 1064750786 /nfs/dbraw/zinc/75/07/86/1064750786.db2.gz HPSSRWBORQKENM-CQSZACIVSA-N 1 0 469.453 3.073 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001298964409 1064751564 /nfs/dbraw/zinc/75/15/64/1064751564.db2.gz BJJNAWFHVLRBCO-APWZRJJASA-N 1 0 475.037 3.442 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C)C[NH+]1CCCC1 ZINC001298968239 1064758961 /nfs/dbraw/zinc/75/89/61/1064758961.db2.gz WJYIGLBIJNSDKS-IAGOWNOFSA-N 1 0 463.026 3.157 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001298969192 1064760514 /nfs/dbraw/zinc/76/05/14/1064760514.db2.gz AFZIEJJSICGSCQ-HYBUGGRVSA-N 1 0 492.672 3.460 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001298974407 1064764230 /nfs/dbraw/zinc/76/42/30/1064764230.db2.gz WACWNXMIEUQSBV-OXJNMPFZSA-N 1 0 455.994 3.115 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001298985742 1064770294 /nfs/dbraw/zinc/77/02/94/1064770294.db2.gz OFYMOYFVJFVOQA-VIZSFHNOSA-N 1 0 484.645 3.264 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001298986935 1064770933 /nfs/dbraw/zinc/77/09/33/1064770933.db2.gz YGYLWNMQKCBIFV-ANTGDGSKSA-N 1 0 474.675 3.135 20 0 JGADRO 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JGADRO COc1cc(-c2nnc(N3CCC[C@@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC001299851192 1065056230 /nfs/dbraw/zinc/05/62/30/1065056230.db2.gz OWWWACUCODTCRU-LJQANCHMSA-N 1 0 486.661 3.233 20 0 JGADRO COc1cc(-c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2C[C@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299852043 1065057985 /nfs/dbraw/zinc/05/79/85/1065057985.db2.gz BCIRUVPUHMLRCN-IBGZPJMESA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(-c2nnc(N3CCCOCC3)n2CCCC[NH+]2CCOCC2)ccc1OC(C)C ZINC001299854311 1065061819 /nfs/dbraw/zinc/06/18/19/1065061819.db2.gz GWVZUVCOYKUZED-UHFFFAOYSA-N 1 0 473.618 3.080 20 0 JGADRO COc1cc(-c2nnc(N3CCNC(=O)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1OC(C)C ZINC001299856569 1065064967 /nfs/dbraw/zinc/06/49/67/1065064967.db2.gz AQZBZRRXPYXPEX-WOJBJXKFSA-N 1 0 484.645 3.045 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCC(C)(C)O)ccc1OC(C)C ZINC001299857660 1065067417 /nfs/dbraw/zinc/06/74/17/1065067417.db2.gz VLTAHTSZENUSBL-OAQYLSRUSA-N 1 0 487.645 3.203 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCC(C)(C)O)ccc1OC(C)C ZINC001299857659 1065067487 /nfs/dbraw/zinc/06/74/87/1065067487.db2.gz VLTAHTSZENUSBL-NRFANRHFSA-N 1 0 487.645 3.203 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCC[C@H](O)C2)cc(OC)c1OC ZINC001299857887 1065068419 /nfs/dbraw/zinc/06/84/19/1065068419.db2.gz BDHDUTJGOCADNI-QUCCMNQESA-N 1 0 473.618 3.052 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)ccc1OC(C)C ZINC001299858226 1065070010 /nfs/dbraw/zinc/07/00/10/1065070010.db2.gz MSUNMIAYTZGJET-SANMLTNESA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCCCO2)cc(OC)c1OC ZINC001299858499 1065070466 /nfs/dbraw/zinc/07/04/66/1065070466.db2.gz PBZSJLDRMUNHSR-IBGZPJMESA-N 1 0 459.591 3.070 20 0 JGADRO COc1cc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc(OC)c1OC ZINC001299860006 1065074249 /nfs/dbraw/zinc/07/42/49/1065074249.db2.gz MDTATTRXAOOPKF-MJGOQNOKSA-N 1 0 461.607 3.172 20 0 JGADRO COc1cc(-c2nnc(N3CCOC[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)ccc1OC(C)C ZINC001299860327 1065075176 /nfs/dbraw/zinc/07/51/76/1065075176.db2.gz QXMXMUUDRPGUEQ-IFMALSPDSA-N 1 0 487.645 3.323 20 0 JGADRO COc1cc(-c2nnc(N3CCOCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC001299860556 1065076333 /nfs/dbraw/zinc/07/63/33/1065076333.db2.gz UGFHRCDKZCTUCN-SFHVURJKSA-N 1 0 459.591 3.072 20 0 JGADRO COc1cc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc(OC)c1OC ZINC001299861838 1065078093 /nfs/dbraw/zinc/07/80/93/1065078093.db2.gz NZVKBBREBDSEIK-HJPURHCSSA-N 1 0 493.699 3.350 20 0 JGADRO COc1cc(-c2nnc(N3CCSC[C@H]3C)n2C[C@H](C2CC2)[NH+](C)C)cc(OC)c1OC ZINC001299862285 1065079122 /nfs/dbraw/zinc/07/91/22/1065079122.db2.gz VCHQHCYNGLBHTO-CRAIPNDOSA-N 1 0 461.632 3.253 20 0 JGADRO COc1cc(-c2nnc(N3CCSCC3)n2C[C@H](C)C[NH+]2CCOCC2)ccc1OC(C)C ZINC001299862442 1065079156 /nfs/dbraw/zinc/07/91/56/1065079156.db2.gz XTQPOWYUDXBVGV-LJQANCHMSA-N 1 0 475.659 3.262 20 0 JGADRO COc1cc(CCn2c(C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1Cl ZINC001299865261 1065082866 /nfs/dbraw/zinc/08/28/66/1065082866.db2.gz DHDQEJUUQRNFDD-UHFFFAOYSA-N 1 0 461.054 3.486 20 0 JGADRO COc1cc(CCn2c(-c3cccnc3)nnc2N2CC[NH+](CCOC(C)C)CC2)ccc1C ZINC001299865384 1065083305 /nfs/dbraw/zinc/08/33/05/1065083305.db2.gz HHAYUOCLRFPMAX-UHFFFAOYSA-N 1 0 464.614 3.447 20 0 JGADRO COc1cc(CN(C)c2nnc(C)n2CC2([NH+]3CCCC3)CCOCC2)ccc1OC(F)F ZINC001299870087 1065087461 /nfs/dbraw/zinc/08/74/61/1065087461.db2.gz NVYOVLPHXTVZMU-UHFFFAOYSA-N 1 0 465.545 3.478 20 0 JGADRO COc1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@@H]2C)ccc1SC ZINC001299870512 1065088434 /nfs/dbraw/zinc/08/84/34/1065088434.db2.gz ZMFLJBDRQVWSSB-SFHVURJKSA-N 1 0 472.659 3.365 20 0 JGADRO COc1cc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc(OC)c1 ZINC001299872951 1065092198 /nfs/dbraw/zinc/09/21/98/1065092198.db2.gz XYKMMUUYLCMLBZ-DEOSSOPVSA-N 1 0 482.629 3.294 20 0 JGADRO COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)cc(Cl)c1OC ZINC001299881053 1065102843 /nfs/dbraw/zinc/10/28/43/1065102843.db2.gz MVZJXUOFYRTRKC-UHFFFAOYSA-N 1 0 479.025 3.102 20 0 JGADRO COc1cc(Cn2c(CC(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)ccc1C ZINC001299885947 1065109698 /nfs/dbraw/zinc/10/96/98/1065109698.db2.gz LSDLOPLKHJOREY-DEOSSOPVSA-N 1 0 484.689 3.073 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001299895621 1065127941 /nfs/dbraw/zinc/12/79/41/1065127941.db2.gz RTBHISLFFYLHDH-KKSFZXQISA-N 1 0 452.024 3.270 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001299897825 1065131773 /nfs/dbraw/zinc/13/17/73/1065131773.db2.gz JIRRORIEKRWNSA-FXAWDEMLSA-N 1 0 475.037 3.394 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001299897829 1065131810 /nfs/dbraw/zinc/13/18/10/1065131810.db2.gz JIRRORIEKRWNSA-XLIONFOSSA-N 1 0 475.037 3.394 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001299899038 1065133804 /nfs/dbraw/zinc/13/38/04/1065133804.db2.gz XBGGODVHMSWCTE-KRWDZBQOSA-N 1 0 461.010 3.006 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001299899107 1065134580 /nfs/dbraw/zinc/13/45/80/1065134580.db2.gz YCSMYHSICBBDPK-NRFANRHFSA-N 1 0 491.080 3.494 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H](C)OC ZINC001299909135 1065155663 /nfs/dbraw/zinc/15/56/63/1065155663.db2.gz OLJGVLYXNDPDPX-KRWDZBQOSA-N 1 0 451.999 3.189 20 0 JGADRO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@]1(O)CCSC1 ZINC001299909137 1065155733 /nfs/dbraw/zinc/15/57/33/1065155733.db2.gz OLYFNTDCSRJVDC-JOCHJYFZSA-N 1 0 466.051 3.253 20 0 JGADRO COc1cc(NC2CCN(c3nnc(CC(C)(C)C)n3C[C@]3(O)CC[N@H+](C)C3)CC2)cc(OC)c1 ZINC001299925791 1065185243 /nfs/dbraw/zinc/18/52/43/1065185243.db2.gz KGHAGCMPODJPHN-SANMLTNESA-N 1 0 486.661 3.031 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001299928070 1065189785 /nfs/dbraw/zinc/18/97/85/1065189785.db2.gz LXIXBMDDQVYEBQ-QFIPXVFZSA-N 1 0 486.661 3.434 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)Cc3cscn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001299930638 1065193638 /nfs/dbraw/zinc/19/36/38/1065193638.db2.gz SPWQYUQCCQRAAZ-QFIPXVFZSA-N 1 0 486.642 3.412 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)Cc3cscn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001299930637 1065193670 /nfs/dbraw/zinc/19/36/70/1065193670.db2.gz SPWQYUQCCQRAAZ-JOCHJYFZSA-N 1 0 486.642 3.412 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)Cc3cscn3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001299930624 1065193742 /nfs/dbraw/zinc/19/37/42/1065193742.db2.gz SGYBLJKDIGFQCS-UHFFFAOYSA-N 1 0 486.642 3.291 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001299930514 1065193748 /nfs/dbraw/zinc/19/37/48/1065193748.db2.gz MMQIGWVDCVLWSF-IBGZPJMESA-N 1 0 467.618 3.454 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CC3CCOCC3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001299932336 1065197568 /nfs/dbraw/zinc/19/75/68/1065197568.db2.gz OLZMTNRYTDJSRT-XMMPIXPASA-N 1 0 475.659 3.262 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N(C)CCC3CCOCC3)n2CC[NH+]2CCSCC2)c1 ZINC001299932805 1065198486 /nfs/dbraw/zinc/19/84/86/1065198486.db2.gz WMPZRFBDFGDROR-UHFFFAOYSA-N 1 0 475.659 3.264 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@]4(CCOC4)OC(C)(C)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299933262 1065199341 /nfs/dbraw/zinc/19/93/41/1065199341.db2.gz BBBJUIJRVPURCR-SANMLTNESA-N 1 0 487.645 3.324 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)O[C@@]4(CCCOC4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299935858 1065202704 /nfs/dbraw/zinc/20/27/04/1065202704.db2.gz IAKCTFMBAPODAD-BCHFMIIMSA-N 1 0 487.645 3.324 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001299936444 1065203118 /nfs/dbraw/zinc/20/31/18/1065203118.db2.gz ACTJRAPOKOONRO-HXUWFJFHSA-N 1 0 498.672 3.389 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC001299936653 1065203573 /nfs/dbraw/zinc/20/35/73/1065203573.db2.gz AQCRHARWYRSPJT-BKMJKUGQSA-N 1 0 484.645 3.175 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC001299936540 1065203652 /nfs/dbraw/zinc/20/36/52/1065203652.db2.gz OAMUDGJIIQQXHT-CTNGQTDRSA-N 1 0 487.645 3.203 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001299936873 1065204457 /nfs/dbraw/zinc/20/44/57/1065204457.db2.gz CTIMMOMPLUVIRP-VQTJNVASSA-N 1 0 498.672 3.435 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001299937873 1065206084 /nfs/dbraw/zinc/20/60/84/1065206084.db2.gz HNICJVFJJRNHDP-LJQANCHMSA-N 1 0 484.645 3.176 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](Cc4cnn(C)c4)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299938715 1065208154 /nfs/dbraw/zinc/20/81/54/1065208154.db2.gz STTCXQXEVFFUMD-IBGZPJMESA-N 1 0 481.645 3.353 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC(C(=O)N4CCC(C)CC4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299939761 1065209724 /nfs/dbraw/zinc/20/97/24/1065209724.db2.gz XYDRENNWOUYIDP-HXUWFJFHSA-N 1 0 498.672 3.387 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CC=CCC2)c1 ZINC001299942460 1065211896 /nfs/dbraw/zinc/21/18/96/1065211896.db2.gz PSUSHFLIUCZADO-FQEVSTJZSA-N 1 0 498.628 3.328 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCCC(C)(C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001299942499 1065212643 /nfs/dbraw/zinc/21/26/43/1065212643.db2.gz CVYTYCQLNKGRPL-FQEVSTJZSA-N 1 0 457.619 3.436 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001299945870 1065219066 /nfs/dbraw/zinc/21/90/66/1065219066.db2.gz WGOIERYLWGYSPQ-FQEVSTJZSA-N 1 0 472.634 3.044 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001299947015 1065222672 /nfs/dbraw/zinc/22/26/72/1065222672.db2.gz WCEJVHZXUAYDOR-UWJYYQICSA-N 1 0 455.559 3.473 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCCO[C@@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001299947013 1065222696 /nfs/dbraw/zinc/22/26/96/1065222696.db2.gz WCEJVHZXUAYDOR-LAUBAEHRSA-N 1 0 455.559 3.473 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001299950297 1065225434 /nfs/dbraw/zinc/22/54/34/1065225434.db2.gz MIAYIEVBVGJHDY-NHCUHLMSSA-N 1 0 498.672 3.387 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001299950943 1065227012 /nfs/dbraw/zinc/22/70/12/1065227012.db2.gz FWZXTYWRGCOUQZ-CVDCTZTESA-N 1 0 487.645 3.182 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299951309 1065228228 /nfs/dbraw/zinc/22/82/28/1065228228.db2.gz RMXJXCSIVGXFJQ-ROUUACIJSA-N 1 0 488.633 3.358 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCC(=O)NC(C)C)c1 ZINC001299951657 1065229386 /nfs/dbraw/zinc/22/93/86/1065229386.db2.gz TVKZULSVWFYKAU-UHFFFAOYSA-N 1 0 484.645 3.332 20 0 JGADRO COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001299952145 1065231039 /nfs/dbraw/zinc/23/10/39/1065231039.db2.gz MFDDPULSGRBAOY-PMACEKPBSA-N 1 0 484.645 3.140 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc(-c3cccnc3)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001299957993 1065236813 /nfs/dbraw/zinc/23/68/13/1065236813.db2.gz NOHDPSZGSVDNAY-UHFFFAOYSA-N 1 0 465.602 3.151 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001299958548 1065237657 /nfs/dbraw/zinc/23/76/57/1065237657.db2.gz UXUBPMKALXNWJP-PMACEKPBSA-N 1 0 473.618 3.458 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001299959676 1065240526 /nfs/dbraw/zinc/24/05/26/1065240526.db2.gz YCRQVOKMLLGCJM-DNRQZRRGSA-N 1 0 473.618 3.048 20 0 JGADRO COc1cc2c(cc1C)CN(c1nnc(C(=O)NC(C)C)n1CC[NH+]1CCC(C)CC1)CC2 ZINC001299959888 1065241273 /nfs/dbraw/zinc/24/12/73/1065241273.db2.gz GIOWORHWMDBPNO-UHFFFAOYSA-N 1 0 454.619 3.028 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)[C@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001299968060 1065250964 /nfs/dbraw/zinc/25/09/64/1065250964.db2.gz YVGLKAZVSLXMLW-BTYIYWSLSA-N 1 0 496.475 3.379 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)CCC(F)(F)F)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001299968696 1065252949 /nfs/dbraw/zinc/25/29/49/1065252949.db2.gz KCPKZPCTCFKRCX-SFHVURJKSA-N 1 0 492.340 3.171 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC[NH+]2CCCC2)c1 ZINC001299968717 1065253153 /nfs/dbraw/zinc/25/31/53/1065253153.db2.gz IOWTTWCATGZECU-HZPDHXFCSA-N 1 0 464.408 3.426 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)Cc3ccon3)n2CC[NH+]2CCSCC2)c1 ZINC001299969052 1065254669 /nfs/dbraw/zinc/25/46/69/1065254669.db2.gz PHQXRVPGFQVBHJ-UHFFFAOYSA-N 1 0 493.431 3.389 20 0 JGADRO CC1(C(=O)NN2C(=O)c3ccc(Br)cc3C2=O)CC[NH+](Cc2ccccc2)CC1 ZINC001299970783 1065259286 /nfs/dbraw/zinc/25/92/86/1065259286.db2.gz DVFDYLYOMDAGDQ-UHFFFAOYSA-N 1 0 456.340 3.379 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCO[C@@H](C)C3)n2CCCC[NH+]2CCOCC2)c1 ZINC001299973623 1065262491 /nfs/dbraw/zinc/26/24/91/1065262491.db2.gz LBYDLGSSPKEMIG-KRWDZBQOSA-N 1 0 494.434 3.054 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC(=O)N(C)C)c1 ZINC001299974308 1065264615 /nfs/dbraw/zinc/26/46/15/1065264615.db2.gz AWTHHVWPGWYVDO-UHFFFAOYSA-N 1 0 493.450 3.115 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001299974977 1065267780 /nfs/dbraw/zinc/26/77/80/1065267780.db2.gz JOHJBJPGMPOZTR-MRXNPFEDSA-N 1 0 464.408 3.285 20 0 JGADRO COc1ccc(Br)cc1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001299976948 1065273450 /nfs/dbraw/zinc/27/34/50/1065273450.db2.gz UOVVFWUOBGPHJO-UHFFFAOYSA-N 1 0 474.407 3.028 20 0 JGADRO COc1ccc(C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001299978980 1065275921 /nfs/dbraw/zinc/27/59/21/1065275921.db2.gz IJHOYCICLSYAFD-UHFFFAOYSA-N 1 0 477.613 3.442 20 0 JGADRO COc1ccc([C@@H](C)CCn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC001299980401 1065278978 /nfs/dbraw/zinc/27/89/78/1065278978.db2.gz JOKFMVQKFRUHRQ-NRFANRHFSA-N 1 0 498.672 3.167 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc(-c3cnccn3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001299983421 1065284384 /nfs/dbraw/zinc/28/43/84/1065284384.db2.gz HLNSNKUVZCSOQY-IBGZPJMESA-N 1 0 451.575 3.054 20 0 JGADRO COc1ccc([C@H](C)N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001299984964 1065287245 /nfs/dbraw/zinc/28/72/45/1065287245.db2.gz RJXUXVWXEQTHTF-VDGAXYAQSA-N 1 0 452.559 3.331 20 0 JGADRO COc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2C[C@@H](OC)[C@@H](OC)C2)[NH+]2CCCC2)cc1 ZINC001299987425 1065289590 /nfs/dbraw/zinc/28/95/90/1065289590.db2.gz CIYLPOUBODSNMY-ZLNRFVROSA-N 1 0 457.619 3.172 20 0 JGADRO COc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(OCC(N)=O)CC2)[NH+]2CCCC2)cc1 ZINC001299987842 1065290152 /nfs/dbraw/zinc/29/01/52/1065290152.db2.gz HMMOGHDARGHYMV-HSZRJFAPSA-N 1 0 498.672 3.183 20 0 JGADRO COc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CCC[C@@H](NC(C)=O)C2)[NH+]2CCCC2)cc1 ZINC001299988244 1065291425 /nfs/dbraw/zinc/29/14/25/1065291425.db2.gz LVVIFFQKSZLYMK-VWNXMTODSA-N 1 0 468.646 3.427 20 0 JGADRO COc1ccc([C@@H](Cn2c(C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)[NH+]2CCCC2)cc1 ZINC001299988256 1065291555 /nfs/dbraw/zinc/29/15/55/1065291555.db2.gz MDQMJWGEQNQSSE-WMZHIEFXSA-N 1 0 454.619 3.125 20 0 JGADRO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC001299996682 1065305755 /nfs/dbraw/zinc/30/57/55/1065305755.db2.gz MCJAGJFFZRIGRB-OAQYLSRUSA-N 1 0 486.661 3.434 20 0 JGADRO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001299996901 1065307102 /nfs/dbraw/zinc/30/71/02/1065307102.db2.gz RQRVMBFQQBOTSP-IBGZPJMESA-N 1 0 486.661 3.434 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CC[N@@H+]2CCC[C@H]2C)cc1Br ZINC001299997396 1065307634 /nfs/dbraw/zinc/30/76/34/1065307634.db2.gz VTKWJVZESGXFDU-NVXWUHKLSA-N 1 0 464.408 3.426 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC001492206035 1065320753 /nfs/dbraw/zinc/32/07/53/1065320753.db2.gz SSEQOEZQOHFRSR-JOCHJYFZSA-N 1 0 496.700 3.385 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc(CC3CC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492217934 1065327681 /nfs/dbraw/zinc/32/76/81/1065327681.db2.gz USKSPMIPIOYTIP-JOCHJYFZSA-N 1 0 456.610 3.257 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3CCC(C)CC3)CC2)cc1C ZINC001492226724 1065329855 /nfs/dbraw/zinc/32/98/55/1065329855.db2.gz FUFYUXDEBCSPLT-UHFFFAOYSA-N 1 0 481.689 3.482 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001492234301 1065334948 /nfs/dbraw/zinc/33/49/48/1065334948.db2.gz BPYVPFJPVJFABM-GHTZIAJQSA-N 1 0 483.661 3.228 20 0 JGADRO Cc1nnc(N2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001492288963 1065342113 /nfs/dbraw/zinc/34/21/13/1065342113.db2.gz RISCKLFWPIODDN-NRFANRHFSA-N 1 0 469.634 3.044 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCO3)n2CC[NH+]2CCC(C)CC2)cc1C ZINC001492244183 1065343034 /nfs/dbraw/zinc/34/30/34/1065343034.db2.gz OEVACJCQEJTNJP-JOCHJYFZSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001492250367 1065349792 /nfs/dbraw/zinc/34/97/92/1065349792.db2.gz MFWUYYMSQIUDPX-GHTZIAJQSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001492251171 1065351809 /nfs/dbraw/zinc/35/18/09/1065351809.db2.gz XEGJJSAXXVYPOT-UHFFFAOYSA-N 1 0 476.572 3.228 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)F)C3)n2CCOCC[NH+](C)C)cc1C ZINC001492254649 1065354327 /nfs/dbraw/zinc/35/43/27/1065354327.db2.gz MJKBCAJMDFMZRF-SFHVURJKSA-N 1 0 464.561 3.207 20 0 JGADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001545691772 1065356324 /nfs/dbraw/zinc/35/63/24/1065356324.db2.gz ILMWGJPWVIIADA-OAQYLSRUSA-N 1 0 499.679 3.384 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C[C@H]4CCCO4)CC3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001492265711 1065358167 /nfs/dbraw/zinc/35/81/67/1065358167.db2.gz DFNBKPULGWVKJE-XMMPIXPASA-N 1 0 497.688 3.179 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(F)cn2)cc1C ZINC001492267156 1065362879 /nfs/dbraw/zinc/36/28/79/1065362879.db2.gz PEVGJIJFGOPZAX-UHFFFAOYSA-N 1 0 451.550 3.260 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC2([NH+](C)C)CCC2)n1 ZINC001492289120 1065365457 /nfs/dbraw/zinc/36/54/57/1065365457.db2.gz SYKIBWMJNMMYDJ-UHFFFAOYSA-N 1 0 464.618 3.007 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001492273771 1065367414 /nfs/dbraw/zinc/36/74/14/1065367414.db2.gz MBRCHVBHGZFYBL-OAQYLSRUSA-N 1 0 497.688 3.177 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)C)n3CCCC[NH+]3CCOCC3)C2)nc1 ZINC001492275004 1065369728 /nfs/dbraw/zinc/36/97/28/1065369728.db2.gz HAQZGSCYVATXNF-NRFANRHFSA-N 1 0 469.634 3.072 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1C ZINC001492277424 1065372054 /nfs/dbraw/zinc/37/20/54/1065372054.db2.gz WKFWTXBDYNCSCS-SZPZYZBQSA-N 1 0 497.688 3.034 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001492284388 1065377096 /nfs/dbraw/zinc/37/70/96/1065377096.db2.gz SWJQJYVEMKGVML-OAQYLSRUSA-N 1 0 481.645 3.162 20 0 JGADRO Cc1ccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001492288344 1065382369 /nfs/dbraw/zinc/38/23/69/1065382369.db2.gz LMULHANQHPPJHF-NRFANRHFSA-N 1 0 477.613 3.479 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)C3CC[NH+](CCn4cccn4)CC3)n2CC(C)(C)O)cc1C ZINC001492316503 1065392913 /nfs/dbraw/zinc/39/29/13/1065392913.db2.gz IJYAHAIKGXEHDB-UHFFFAOYSA-N 1 0 481.645 3.042 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccc(C)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cnn1C ZINC001492319554 1065394802 /nfs/dbraw/zinc/39/48/02/1065394802.db2.gz DCQCJMNJXGYTHZ-DEOSSOPVSA-N 1 0 481.645 3.201 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCNC(=O)OC(C)(C)C)cc1 ZINC001492391014 1065414061 /nfs/dbraw/zinc/41/40/61/1065414061.db2.gz JNLPAPZEPNACIN-FQEVSTJZSA-N 1 0 470.618 3.365 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001492352897 1065414712 /nfs/dbraw/zinc/41/47/12/1065414712.db2.gz RGXPHBNJALRTDD-YIXXDRMTSA-N 1 0 484.689 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(Cn4cncn4)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001492353691 1065416280 /nfs/dbraw/zinc/41/62/80/1065416280.db2.gz IPPRZKWTDPMZQF-UHFFFAOYSA-N 1 0 452.607 3.014 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)n2CC(C)C)cc1C ZINC001492391042 1065418930 /nfs/dbraw/zinc/41/89/30/1065418930.db2.gz KJRRDKHUXHAVPH-VWLOTQADSA-N 1 0 484.689 3.361 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC001492360406 1065422442 /nfs/dbraw/zinc/42/24/42/1065422442.db2.gz STIUXCBJUPRSMO-VWLOTQADSA-N 1 0 484.689 3.489 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)n2CC(=O)N(C)C)cc1 ZINC001492369723 1065430384 /nfs/dbraw/zinc/43/03/84/1065430384.db2.gz APEXNZRCZBVSTR-FGZHOGPDSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492370301 1065431785 /nfs/dbraw/zinc/43/17/85/1065431785.db2.gz HPXOMIZSKUMCBX-LEWJYISDSA-N 1 0 456.635 3.104 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC(=O)N(C)C)cc1C ZINC001492378262 1065443051 /nfs/dbraw/zinc/44/30/51/1065443051.db2.gz KVMQWLHQBRRAMK-UHFFFAOYSA-N 1 0 456.635 3.263 20 0 JGADRO Cc1c(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)cnn1C ZINC001492383580 1065447861 /nfs/dbraw/zinc/44/78/61/1065447861.db2.gz WAVOKYXJBSIYKJ-UHFFFAOYSA-N 1 0 451.619 3.485 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCCC[NH+]2CCCC2)cc1 ZINC001492383811 1065449330 /nfs/dbraw/zinc/44/93/30/1065449330.db2.gz BQCFIEHIXXYUNM-NRFANRHFSA-N 1 0 454.619 3.099 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(=O)NCc2ccco2)cc1C ZINC001492383923 1065449499 /nfs/dbraw/zinc/44/94/99/1065449499.db2.gz CRKRKCALMRUFML-UHFFFAOYSA-N 1 0 480.613 3.161 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@H+]2CC=CCC2)cc1 ZINC001492383977 1065449523 /nfs/dbraw/zinc/44/95/23/1065449523.db2.gz DFFSCYHGFRFGDF-QFIPXVFZSA-N 1 0 466.630 3.121 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@H+](C)C(C)C)cc1 ZINC001492385249 1065452253 /nfs/dbraw/zinc/45/22/53/1065452253.db2.gz PAZZNOYNSUADGN-NRFANRHFSA-N 1 0 456.635 3.199 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001492341041 1065457192 /nfs/dbraw/zinc/45/71/92/1065457192.db2.gz YDCBFMVFAATZDG-GMAHTHKFSA-N 1 0 468.646 3.261 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[NH+]2CCC(C)CC2)cc1C ZINC001492346542 1065461860 /nfs/dbraw/zinc/46/18/60/1065461860.db2.gz IGCAJXOMDMRIMN-QFIPXVFZSA-N 1 0 468.646 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001492391970 1065463504 /nfs/dbraw/zinc/46/35/04/1065463504.db2.gz VOWPQPNAKQTWEA-IBGZPJMESA-N 1 0 468.646 3.311 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492347916 1065463520 /nfs/dbraw/zinc/46/35/20/1065463520.db2.gz YUUZNMMGRHJGSQ-IBGZPJMESA-N 1 0 496.578 3.319 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001492393269 1065465392 /nfs/dbraw/zinc/46/53/92/1065465392.db2.gz LEHCPEJLAOKIEG-NRFANRHFSA-N 1 0 497.562 3.354 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001492393365 1065466114 /nfs/dbraw/zinc/46/61/14/1065466114.db2.gz LOEJVYFYLWVSNM-ZEQRLZLVSA-N 1 0 471.646 3.384 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@](C)(c4cnn(C)c4)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492393822 1065466143 /nfs/dbraw/zinc/46/61/43/1065466143.db2.gz MTOZMQBLXPNOPS-SANMLTNESA-N 1 0 481.645 3.300 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC(C)(C)C[NH+]2CCCC2)cc1C ZINC001492399846 1065469272 /nfs/dbraw/zinc/46/92/72/1065469272.db2.gz DAPISQMGKGPXJJ-UHFFFAOYSA-N 1 0 459.660 3.165 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001492401991 1065471685 /nfs/dbraw/zinc/47/16/85/1065471685.db2.gz QHZFOXDUXCBIBJ-ZJSXRUAMSA-N 1 0 459.660 3.118 20 0 JGADRO Cc1nc([C@H]2CN(c3nnc(COc4ccc(C)cc4)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)no1 ZINC001492402973 1065473400 /nfs/dbraw/zinc/47/34/00/1065473400.db2.gz XTMWVLXMEZPMRP-RBBKRZOGSA-N 1 0 483.617 3.411 20 0 JGADRO Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC001492407068 1065473522 /nfs/dbraw/zinc/47/35/22/1065473522.db2.gz BIUNZPIBUIAJOR-QFIPXVFZSA-N 1 0 498.672 3.273 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001492407571 1065474140 /nfs/dbraw/zinc/47/41/40/1065474140.db2.gz HVBPGJJOZNHCAP-FDFHNCONSA-N 1 0 457.619 3.280 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001492421470 1065482206 /nfs/dbraw/zinc/48/22/06/1065482206.db2.gz PODDQYHLLYZNTM-UNMCSNQZSA-N 1 0 454.619 3.317 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492436490 1065491165 /nfs/dbraw/zinc/49/11/65/1065491165.db2.gz ITWGEPFXLCBVOX-SFHVURJKSA-N 1 0 465.689 3.090 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001492447132 1065501034 /nfs/dbraw/zinc/50/10/34/1065501034.db2.gz WWNMCFOYXGWMSO-OAQYLSRUSA-N 1 0 498.653 3.070 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001492449098 1065502295 /nfs/dbraw/zinc/50/22/95/1065502295.db2.gz PNKRSWHVSZKVLL-OAQYLSRUSA-N 1 0 451.587 3.427 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001492462239 1065510867 /nfs/dbraw/zinc/51/08/67/1065510867.db2.gz NHYPGLDPJRAZHG-XMSQKQJNSA-N 1 0 499.603 3.493 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCCS(C)(=O)=O)cc1 ZINC001492462330 1065510990 /nfs/dbraw/zinc/51/09/90/1065510990.db2.gz OEPJFLFWSQWNPY-FQEVSTJZSA-N 1 0 477.700 3.378 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[NH+]2CCCCCC2)cc1 ZINC001492466084 1065513697 /nfs/dbraw/zinc/51/36/97/1065513697.db2.gz WDWNUYSUIRTQKE-FQEVSTJZSA-N 1 0 456.660 3.422 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001492466188 1065514296 /nfs/dbraw/zinc/51/42/96/1065514296.db2.gz ZKGFUMHGMHEDIA-FQEVSTJZSA-N 1 0 456.660 3.457 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc(-c4cccn4C)n3CC[N@@H+](C)C(C)C)CC2)c1 ZINC001492471583 1065522115 /nfs/dbraw/zinc/52/21/15/1065522115.db2.gz PIQQCIYGFHTQHZ-UHFFFAOYSA-N 1 0 463.630 3.285 20 0 JGADRO Cc1cccc(C(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001492477943 1065523779 /nfs/dbraw/zinc/52/37/79/1065523779.db2.gz ANXDPIDZTLLSSB-QFIPXVFZSA-N 1 0 454.619 3.036 20 0 JGADRO CO[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCC(O)CC2)CC[C@@H]1C ZINC001300795589 1065525906 /nfs/dbraw/zinc/52/59/06/1065525906.db2.gz OSKCDRDCUUXXDY-UWJYYQICSA-N 1 0 479.572 3.255 20 0 JGADRO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCOCC2)CC[C@H]1C ZINC001300797095 1065529261 /nfs/dbraw/zinc/52/92/61/1065529261.db2.gz VVBWZHBZKPUWHL-VQIMIIECSA-N 1 0 495.466 3.018 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001300797629 1065529765 /nfs/dbraw/zinc/52/97/65/1065529765.db2.gz OFPWLQSRPGKQIC-SGIRGMQISA-N 1 0 463.667 3.302 20 0 JGADRO CO[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1(C)C ZINC001300835272 1065570999 /nfs/dbraw/zinc/57/09/99/1065570999.db2.gz RCDAKZOMXXELRG-ZVDOUQERSA-N 1 0 456.635 3.013 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)CC[C@H]1C ZINC001300835667 1065571458 /nfs/dbraw/zinc/57/14/58/1065571458.db2.gz WBTYYTWJMLXTCD-HYBUGGRVSA-N 1 0 464.614 3.114 20 0 JGADRO CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC001300843313 1065582139 /nfs/dbraw/zinc/58/21/39/1065582139.db2.gz PQBDEJVBVLRFLP-FPOVZHCZSA-N 1 0 482.654 3.434 20 0 JGADRO CO[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CC[C@@H]1C ZINC001300844235 1065584731 /nfs/dbraw/zinc/58/47/31/1065584731.db2.gz XIAKICCOCRBNGI-XZDHIHRUSA-N 1 0 459.660 3.198 20 0 JGADRO CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001300845702 1065587874 /nfs/dbraw/zinc/58/78/74/1065587874.db2.gz VMWZVYGHSNZNKS-MJGOQNOKSA-N 1 0 460.648 3.005 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2([NH+](C)C)CCSC2)CC[C@H]1C ZINC001300850790 1065594349 /nfs/dbraw/zinc/59/43/49/1065594349.db2.gz SKXDWXAKHOURTO-LECAPFPNSA-N 1 0 465.708 3.495 20 0 JGADRO CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300857277 1065609711 /nfs/dbraw/zinc/60/97/11/1065609711.db2.gz XGNGKTLWGHDYLS-AZUAARDMSA-N 1 0 465.545 3.128 20 0 JGADRO CO[C@@H]1COCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300868991 1065635839 /nfs/dbraw/zinc/63/58/39/1065635839.db2.gz GGTNHALDQXBICK-FYYLOGMGSA-N 1 0 457.619 3.138 20 0 JGADRO CO[C@@H]1COCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300868994 1065636700 /nfs/dbraw/zinc/63/67/00/1065636700.db2.gz GGTNHALDQXBICK-JTHBVZDNSA-N 1 0 457.619 3.138 20 0 JGADRO COCC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001300873035 1065648589 /nfs/dbraw/zinc/64/85/89/1065648589.db2.gz MQTWOAUEKHMQSO-JOCHJYFZSA-N 1 0 468.646 3.016 20 0 JGADRO CC(C)CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c(Cl)cc1Cl ZINC001300873270 1065649239 /nfs/dbraw/zinc/64/92/39/1065649239.db2.gz KSPJAGBPVLYEHO-CQSZACIVSA-N 1 0 450.432 3.389 20 0 JGADRO COCC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001300900135 1065696600 /nfs/dbraw/zinc/69/66/00/1065696600.db2.gz OBUSXJJXRBDSHP-FYYLOGMGSA-N 1 0 492.709 3.001 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001300905011 1065705383 /nfs/dbraw/zinc/70/53/83/1065705383.db2.gz ZRKKCKHUCDDNCF-IBGZPJMESA-N 1 0 480.613 3.098 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001300908432 1065707228 /nfs/dbraw/zinc/70/72/28/1065707228.db2.gz ZNTULHBWBAAOPK-IBGZPJMESA-N 1 0 460.667 3.178 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001300910266 1065707964 /nfs/dbraw/zinc/70/79/64/1065707964.db2.gz FBVLSBCRVZCFDC-QFIPXVFZSA-N 1 0 474.694 3.395 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001300911615 1065711471 /nfs/dbraw/zinc/71/14/71/1065711471.db2.gz XMGRARMWWPNVBZ-JOCHJYFZSA-N 1 0 482.673 3.029 20 0 JGADRO COCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001300931582 1065731672 /nfs/dbraw/zinc/73/16/72/1065731672.db2.gz OAQXNKHAGACZIV-UHFFFAOYSA-N 1 0 472.609 3.038 20 0 JGADRO COCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001300935300 1065737073 /nfs/dbraw/zinc/73/70/73/1065737073.db2.gz HBYIJBLQCAAUBI-NHCUHLMSSA-N 1 0 455.651 3.008 20 0 JGADRO COCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001300943153 1065745645 /nfs/dbraw/zinc/74/56/45/1065745645.db2.gz SLTUFKFAYQAPBO-RBBKRZOGSA-N 1 0 495.734 3.334 20 0 JGADRO COCC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001300946957 1065751144 /nfs/dbraw/zinc/75/11/44/1065751144.db2.gz WCUCGKJTVGJCKT-HSZRJFAPSA-N 1 0 455.647 3.285 20 0 JGADRO COC[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001300951247 1065754711 /nfs/dbraw/zinc/75/47/11/1065754711.db2.gz CCVXUSGNLSYCQL-NJDAHSKKSA-N 1 0 475.609 3.388 20 0 JGADRO COCC(C)(C)Cn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001300952880 1065756593 /nfs/dbraw/zinc/75/65/93/1065756593.db2.gz KKAKNCYBRKUTQC-VWLOTQADSA-N 1 0 463.667 3.446 20 0 JGADRO COC[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001300953541 1065758047 /nfs/dbraw/zinc/75/80/47/1065758047.db2.gz QNRPUCDODQSGJA-YKSBVNFPSA-N 1 0 497.688 3.034 20 0 JGADRO COC[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001300953546 1065758174 /nfs/dbraw/zinc/75/81/74/1065758174.db2.gz QPMSNKLPACXTRZ-LEWJYISDSA-N 1 0 469.634 3.300 20 0 JGADRO COC[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001300955865 1065760321 /nfs/dbraw/zinc/76/03/21/1065760321.db2.gz GRUICKZCNCMFCH-HLLBOEOZSA-N 1 0 451.413 3.002 20 0 JGADRO COC[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001300963915 1065772374 /nfs/dbraw/zinc/77/23/74/1065772374.db2.gz CLTKLLQILYNTEV-LJQANCHMSA-N 1 0 476.069 3.271 20 0 JGADRO COC[C@@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001300964969 1065774148 /nfs/dbraw/zinc/77/41/48/1065774148.db2.gz NRGPFIFKRNPVAD-INIZCTEOSA-N 1 0 496.425 3.430 20 0 JGADRO 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COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1(C)OCCc2sccc21 ZINC001302077951 1066490692 /nfs/dbraw/zinc/49/06/92/1066490692.db2.gz DKRHNVPVCSPZQC-JPYJTQIMSA-N 1 0 463.648 3.082 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001302078244 1066491171 /nfs/dbraw/zinc/49/11/71/1066491171.db2.gz FSUBSHGGGUDGQJ-IBGZPJMESA-N 1 0 485.608 3.214 20 0 JGADRO COCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001301630844 1066492183 /nfs/dbraw/zinc/49/21/83/1066492183.db2.gz QPSYFTZQACGKHO-KRWDZBQOSA-N 1 0 478.435 3.434 20 0 JGADRO CC(C)(C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001302078805 1066492777 /nfs/dbraw/zinc/49/27/77/1066492777.db2.gz CFXUJVYZBADITF-SFHVURJKSA-N 1 0 464.561 3.169 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301635398 1066498810 /nfs/dbraw/zinc/49/88/10/1066498810.db2.gz PTKJGQXLYPTDCV-OAQYLSRUSA-N 1 0 453.635 3.155 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001301637619 1066501150 /nfs/dbraw/zinc/50/11/50/1066501150.db2.gz DJMGETAQEIHNAP-RDPSFJRHSA-N 1 0 468.646 3.487 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001302082323 1066502372 /nfs/dbraw/zinc/50/23/72/1066502372.db2.gz XFUKKBSHUADCPB-NRFANRHFSA-N 1 0 496.660 3.168 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301638738 1066502559 /nfs/dbraw/zinc/50/25/59/1066502559.db2.gz VVOORHLYNKEEJW-LADGPHEKSA-N 1 0 468.646 3.231 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301638497 1066502573 /nfs/dbraw/zinc/50/25/73/1066502573.db2.gz QTCKKMQUJWVGSU-UYAOXDASSA-N 1 0 453.635 3.216 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301638733 1066502634 /nfs/dbraw/zinc/50/26/34/1066502634.db2.gz VVOORHLYNKEEJW-ISKFKSNPSA-N 1 0 468.646 3.231 20 0 JGADRO CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301638741 1066502797 /nfs/dbraw/zinc/50/27/97/1066502797.db2.gz VVOORHLYNKEEJW-VWNXMTODSA-N 1 0 468.646 3.231 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001302083410 1066504529 /nfs/dbraw/zinc/50/45/29/1066504529.db2.gz ZTHPORYQSOLKDN-HXUWFJFHSA-N 1 0 484.645 3.098 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001301650690 1066517235 /nfs/dbraw/zinc/51/72/35/1066517235.db2.gz PTFIMNKMTDRUEO-FPOVZHCZSA-N 1 0 489.064 3.404 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccnc3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001301651619 1066518746 /nfs/dbraw/zinc/51/87/46/1066518746.db2.gz WOPCKHKUFKZFHC-NRFANRHFSA-N 1 0 453.635 3.299 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCc1c(F)cccc1F ZINC001302091419 1066519460 /nfs/dbraw/zinc/51/94/60/1066519460.db2.gz CLNZFQWFIZBMOC-RBUKOAKNSA-N 1 0 493.599 3.213 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccccc1C ZINC001302092817 1066520853 /nfs/dbraw/zinc/52/08/53/1066520853.db2.gz KNUDNVFAEOWUHP-HSZRJFAPSA-N 1 0 484.689 3.354 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001302094160 1066522246 /nfs/dbraw/zinc/52/22/46/1066522246.db2.gz YQJISOWHVCIOFB-ZVDOUQERSA-N 1 0 461.582 3.283 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](C)Oc1cccc(F)c1 ZINC001302094157 1066522263 /nfs/dbraw/zinc/52/22/63/1066522263.db2.gz YQJISOWHVCIOFB-QKNQBKEWSA-N 1 0 461.582 3.283 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001302094158 1066522341 /nfs/dbraw/zinc/52/23/41/1066522341.db2.gz YQJISOWHVCIOFB-SBHAEUEKSA-N 1 0 461.582 3.283 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(C)cc1OC ZINC001302094811 1066523842 /nfs/dbraw/zinc/52/38/42/1066523842.db2.gz RVYGPGBFUAKASM-FQEVSTJZSA-N 1 0 457.619 3.432 20 0 JGADRO 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CC(C)(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001302096612 1066527460 /nfs/dbraw/zinc/52/74/60/1066527460.db2.gz LADNFTMHJPDLGP-FQEVSTJZSA-N 1 0 486.627 3.399 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001302096766 1066528075 /nfs/dbraw/zinc/52/80/75/1066528075.db2.gz IPSWZKLIPOCOPR-BPYKYCOYSA-N 1 0 481.682 3.144 20 0 JGADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001302096952 1066528654 /nfs/dbraw/zinc/52/86/54/1066528654.db2.gz PXZRFQSCGDVTBS-SFHVURJKSA-N 1 0 482.551 3.119 20 0 JGADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCc1ccc(F)c(F)c1F ZINC001302097190 1066529073 /nfs/dbraw/zinc/52/90/73/1066529073.db2.gz RXFJCHUTDSMNIT-INIZCTEOSA-N 1 0 451.537 3.394 20 0 JGADRO COCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001301659851 1066529417 /nfs/dbraw/zinc/52/94/17/1066529417.db2.gz DGHFIGSAVLKPJS-UHFFFAOYSA-N 1 0 462.683 3.209 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(CCOc3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301660249 1066529774 /nfs/dbraw/zinc/52/97/74/1066529774.db2.gz INHFJUAHXGMBQH-WMTXJRDZSA-N 1 0 482.673 3.325 20 0 JGADRO CC(C)(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001302097667 1066529858 /nfs/dbraw/zinc/52/98/58/1066529858.db2.gz YVQCDSQADFZHKX-OAQYLSRUSA-N 1 0 473.540 3.167 20 0 JGADRO CC(C)(C)c1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CCCN1CCOCC1 ZINC001302098281 1066530263 /nfs/dbraw/zinc/53/02/63/1066530263.db2.gz GELNTTDVKFIKGD-FQEVSTJZSA-N 1 0 479.572 3.477 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3F)n2CC[NH+]2CCC(C)CC2)C1 ZINC001301661361 1066532338 /nfs/dbraw/zinc/53/23/38/1066532338.db2.gz CONLQGCEZMPAKG-OAQYLSRUSA-N 1 0 456.610 3.045 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001301662332 1066533828 /nfs/dbraw/zinc/53/38/28/1066533828.db2.gz FKEZDAJBCPNEGE-ZRCGQRJVSA-N 1 0 470.637 3.433 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301662320 1066533852 /nfs/dbraw/zinc/53/38/52/1066533852.db2.gz FKEZDAJBCPNEGE-MIZPHKNDSA-N 1 0 470.637 3.433 20 0 JGADRO COCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301662470 1066534284 /nfs/dbraw/zinc/53/42/84/1066534284.db2.gz ZITOIESBFGVASE-FQEVSTJZSA-N 1 0 476.710 3.455 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001301662736 1066535129 /nfs/dbraw/zinc/53/51/29/1066535129.db2.gz DHAYHVHXBFEBQD-HXUWFJFHSA-N 1 0 472.609 3.175 20 0 JGADRO COCCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001301664275 1066537997 /nfs/dbraw/zinc/53/79/97/1066537997.db2.gz ARMUJBYRRLOQBF-UHFFFAOYSA-N 1 0 468.646 3.046 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001301665212 1066539851 /nfs/dbraw/zinc/53/98/51/1066539851.db2.gz SSJMWLWKCLGVFM-MYDTUXCISA-N 1 0 476.710 3.478 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001301665207 1066539908 /nfs/dbraw/zinc/53/99/08/1066539908.db2.gz SSJMWLWKCLGVFM-KAOXLYBCSA-N 1 0 476.710 3.478 20 0 JGADRO COCCO[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302105815 1066540936 /nfs/dbraw/zinc/54/09/36/1066540936.db2.gz QNFRGPUOTKTRHF-GBESFXJTSA-N 1 0 469.696 3.222 20 0 JGADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001301665943 1066541493 /nfs/dbraw/zinc/54/14/93/1066541493.db2.gz PFKDELYZLKNKTB-IRLDBZIGSA-N 1 0 470.637 3.435 20 0 JGADRO COCCO[C@@H](C)c1nnc(N2CCOC3(CCCCC3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001302106524 1066541886 /nfs/dbraw/zinc/54/18/86/1066541886.db2.gz WSMPTIGRHMTXSU-FQEVSTJZSA-N 1 0 481.707 3.369 20 0 JGADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001301666360 1066542354 /nfs/dbraw/zinc/54/23/54/1066542354.db2.gz RWGBBAFJFWUHTI-ZJSXRUAMSA-N 1 0 467.662 3.079 20 0 JGADRO 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COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(Cl)ccc2OC)n1CC[NH+]1CCCC1 ZINC001302248239 1066780612 /nfs/dbraw/zinc/78/06/12/1066780612.db2.gz JXSOFJHZPHCUOQ-UWJYYQICSA-N 1 0 464.010 3.396 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccoc2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302248309 1066780958 /nfs/dbraw/zinc/78/09/58/1066780958.db2.gz OVZQSUCSSCOAAP-UDKICSLYSA-N 1 0 475.634 3.428 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccoc2C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001302248308 1066781010 /nfs/dbraw/zinc/78/10/10/1066781010.db2.gz OVZQSUCSSCOAAP-UBBRYJJRSA-N 1 0 475.634 3.428 20 0 JGADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001301820829 1066782195 /nfs/dbraw/zinc/78/21/95/1066782195.db2.gz LMZKRDDOFTWYDZ-RZUBCFFCSA-N 1 0 468.646 3.246 20 0 JGADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001301821842 1066782980 /nfs/dbraw/zinc/78/29/80/1066782980.db2.gz UMQYYBGOJHREEM-PXNSSMCTSA-N 1 0 475.435 3.153 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001302249754 1066784459 /nfs/dbraw/zinc/78/44/59/1066784459.db2.gz HKFXDPQWVFMRPD-MJYYMLJQSA-N 1 0 489.686 3.108 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001302249755 1066784488 /nfs/dbraw/zinc/78/44/88/1066784488.db2.gz HKFXDPQWVFMRPD-QVUQJPMUSA-N 1 0 489.686 3.108 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001302249756 1066784625 /nfs/dbraw/zinc/78/46/25/1066784625.db2.gz HKFXDPQWVFMRPD-VSJNRLFWSA-N 1 0 489.686 3.108 20 0 JGADRO CC(C)(C)OC(=O)NCC(F)(F)Cn1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nnc1C(C)(C)C ZINC001302252437 1066790270 /nfs/dbraw/zinc/79/02/70/1066790270.db2.gz LVQLAAMLQXSRCW-MRXNPFEDSA-N 1 0 456.582 3.410 20 0 JGADRO CC(C)(C)OC(=O)NCC(F)(F)Cn1c(CC2CC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001302252546 1066790878 /nfs/dbraw/zinc/79/08/78/1066790878.db2.gz OMCQRNCGLRWYTO-GOSISDBHSA-N 1 0 468.593 3.455 20 0 JGADRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CC=CCC2)C1 ZINC001302252611 1066791071 /nfs/dbraw/zinc/79/10/71/1066791071.db2.gz FHJGALHJQWALIF-VQTJNVASSA-N 1 0 460.623 3.133 20 0 JGADRO CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302253785 1066794850 /nfs/dbraw/zinc/79/48/50/1066794850.db2.gz WLNJMTSWXFUARS-QGZVFWFLSA-N 1 0 486.608 3.253 20 0 JGADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCCCC2)C1 ZINC001302256598 1066799905 /nfs/dbraw/zinc/79/99/05/1066799905.db2.gz NODWVXCIHYGAFD-VQTJNVASSA-N 1 0 462.639 3.009 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2csc(Br)c2)n1C[C@H](C)[NH+](C)C ZINC001302257894 1066802696 /nfs/dbraw/zinc/80/26/96/1066802696.db2.gz GSPNZGHQAHWNPV-QRTARXTBSA-N 1 0 472.453 3.413 20 0 JGADRO CC(=O)NC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001301843488 1066814627 /nfs/dbraw/zinc/81/46/27/1066814627.db2.gz MEBICQXPUKPNCA-DEOSSOPVSA-N 1 0 484.645 3.404 20 0 JGADRO CC(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001301844468 1066817455 /nfs/dbraw/zinc/81/74/55/1066817455.db2.gz IWIGZPAQYCGLOK-UHFFFAOYSA-N 1 0 456.610 3.377 20 0 JGADRO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301845283 1066819084 /nfs/dbraw/zinc/81/90/84/1066819084.db2.gz PZYFENFGOKSCJQ-QGZVFWFLSA-N 1 0 459.664 3.003 20 0 JGADRO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301845346 1066819714 /nfs/dbraw/zinc/81/97/14/1066819714.db2.gz SNYCSZXZDAGKNI-SFHVURJKSA-N 1 0 473.691 3.393 20 0 JGADRO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001301845859 1066820162 /nfs/dbraw/zinc/82/01/62/1066820162.db2.gz BMPPYLNLGIZVMF-QFIPXVFZSA-N 1 0 480.613 3.475 20 0 JGADRO CC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301846820 1066820633 /nfs/dbraw/zinc/82/06/33/1066820633.db2.gz LMYJAUGEFXTBGL-NHCUHLMSSA-N 1 0 468.646 3.391 20 0 JGADRO CC(C)(C)OC(=O)NCCCCn1c(CC2CC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302267034 1066824879 /nfs/dbraw/zinc/82/48/79/1066824879.db2.gz XIFNRDRFURBXEX-UHFFFAOYSA-N 1 0 476.666 3.084 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001302268569 1066826493 /nfs/dbraw/zinc/82/64/93/1066826493.db2.gz CTXKQLCDAKYUBY-CZYKHXBRSA-N 1 0 463.667 3.375 20 0 JGADRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)CCOc2ccc(C(N)=O)cc2)cc1 ZINC001302269125 1066826997 /nfs/dbraw/zinc/82/69/97/1066826997.db2.gz KZTKIABZQQGAGL-IZZNHLLZSA-N 1 0 473.573 3.347 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N(CCO)Cc2ccccc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302269371 1066827544 /nfs/dbraw/zinc/82/75/44/1066827544.db2.gz PMZDNTDJDZTLBQ-ZRBLBEILSA-N 1 0 471.646 3.121 20 0 JGADRO CC(=O)NC1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001301851344 1066827610 /nfs/dbraw/zinc/82/76/10/1066827610.db2.gz WHGCJXQJYBKYEQ-UHFFFAOYSA-N 1 0 472.609 3.223 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302271994 1066830764 /nfs/dbraw/zinc/83/07/64/1066830764.db2.gz FNQQZMUDRQINFH-XWSJACJDSA-N 1 0 489.583 3.280 20 0 JGADRO COCCn1cc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC001301853134 1066830777 /nfs/dbraw/zinc/83/07/77/1066830777.db2.gz KAXVXGSZNPXBIY-XUZZJYLKSA-N 1 0 497.692 3.011 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001301853319 1066831402 /nfs/dbraw/zinc/83/14/02/1066831402.db2.gz KJUGUGDXDLTTML-MBSDFSHPSA-N 1 0 477.078 3.388 20 0 JGADRO CC(C)(C)OC(=O)NCCn1c(-c2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302272827 1066832362 /nfs/dbraw/zinc/83/23/62/1066832362.db2.gz KIVQOBLIBXPCTC-HXUWFJFHSA-N 1 0 470.618 3.018 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2Cc3ccc(Br)cc3C2)n1C[C@H](C)[NH+](C)C ZINC001302273081 1066832811 /nfs/dbraw/zinc/83/28/11/1066832811.db2.gz JURVMJWJCRTKKC-QOKNQOGYSA-N 1 0 464.408 3.235 20 0 JGADRO CC(C)(C)OC(=O)NCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001302274637 1066836858 /nfs/dbraw/zinc/83/68/58/1066836858.db2.gz BLTOBAJSXONADT-NRFANRHFSA-N 1 0 469.634 3.101 20 0 JGADRO CC(C)(C)OC(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001302274920 1066838264 /nfs/dbraw/zinc/83/82/64/1066838264.db2.gz ARNXAVVHVUXCNQ-XUVXKRRUSA-N 1 0 476.666 3.396 20 0 JGADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001301858478 1066841085 /nfs/dbraw/zinc/84/10/85/1066841085.db2.gz OWSKDQSAXBBZGB-AUSIDOKSSA-N 1 0 467.593 3.078 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001301860065 1066844908 /nfs/dbraw/zinc/84/49/08/1066844908.db2.gz YKZSWTFYFDTLDP-NRFANRHFSA-N 1 0 452.647 3.377 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302278641 1066847030 /nfs/dbraw/zinc/84/70/30/1066847030.db2.gz SUEFBJNSVHPKTQ-GKAYAJSDSA-N 1 0 451.681 3.312 20 0 JGADRO COCCN1C[C@@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CC[NH+](C(C)C)CC2)CC1=O ZINC001301861736 1066848040 /nfs/dbraw/zinc/84/80/40/1066848040.db2.gz XZYNDFRERLTFEX-PKTZIBPZSA-N 1 0 498.672 3.060 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301863233 1066850823 /nfs/dbraw/zinc/85/08/23/1066850823.db2.gz GHOTZMIPTMABSL-BVSLBCMMSA-N 1 0 460.667 3.383 20 0 JGADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCC2)C1 ZINC001302282384 1066851732 /nfs/dbraw/zinc/85/17/32/1066851732.db2.gz WSHIWLLWEWXKFQ-LJQANCHMSA-N 1 0 458.582 3.207 20 0 JGADRO CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001301864254 1066853716 /nfs/dbraw/zinc/85/37/16/1066853716.db2.gz BQKWHZPWUZRYHC-JOCHJYFZSA-N 1 0 453.635 3.141 20 0 JGADRO CC(C)NS(=O)(=O)c1ccc(C(=O)N2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)cc1 ZINC001301865478 1066856119 /nfs/dbraw/zinc/85/61/19/1066856119.db2.gz HMTKSMBJVCYMTP-DQEYMECFSA-N 1 0 455.624 3.358 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001301869535 1066860956 /nfs/dbraw/zinc/86/09/56/1066860956.db2.gz SYRGMJMATLYOHD-NRFANRHFSA-N 1 0 456.610 3.235 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001301870282 1066861385 /nfs/dbraw/zinc/86/13/85/1066861385.db2.gz YREZPTODWYRVJP-PMVMPFDFSA-N 1 0 460.667 3.035 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001301870473 1066862062 /nfs/dbraw/zinc/86/20/62/1066862062.db2.gz ZSUYJWHGVPOOSQ-TYPHKJRUSA-N 1 0 460.648 3.237 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001301871919 1066866524 /nfs/dbraw/zinc/86/65/24/1066866524.db2.gz IZSQBJJBULUANA-FQEVSTJZSA-N 1 0 475.037 3.349 20 0 JGADRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301872238 1066867545 /nfs/dbraw/zinc/86/75/45/1066867545.db2.gz LSSXAZQCSUUVSY-VWPQPMDRSA-N 1 0 486.636 3.469 20 0 JGADRO COCCN1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC001301873827 1066874090 /nfs/dbraw/zinc/87/40/90/1066874090.db2.gz AVTNNKXFNRTWAN-UHFFFAOYSA-N 1 0 464.724 3.096 20 0 JGADRO COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001301874278 1066875016 /nfs/dbraw/zinc/87/50/16/1066875016.db2.gz GYYWDPWRAHHMRA-QHCPKHFHSA-N 1 0 497.688 3.180 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(C(C)C)CC2)C[C@H]1C ZINC001301874516 1066875603 /nfs/dbraw/zinc/87/56/03/1066875603.db2.gz MMFKCQAYIXGLRI-LJQANCHMSA-N 1 0 489.064 3.455 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(-n3cccn3)cc2)C[C@H]1C ZINC001301875199 1066876365 /nfs/dbraw/zinc/87/63/65/1066876365.db2.gz OWDAYWVQAREXTA-HXUWFJFHSA-N 1 0 451.619 3.161 20 0 JGADRO COCCN1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001301875971 1066877274 /nfs/dbraw/zinc/87/72/74/1066877274.db2.gz SQORGCOZAHKHFJ-XMMPIXPASA-N 1 0 454.663 3.472 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001301875443 1066877356 /nfs/dbraw/zinc/87/73/56/1066877356.db2.gz QTQLVMDCWNOFAM-GOSISDBHSA-N 1 0 464.655 3.132 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C2CC(C(C)(C)C)C2)C[C@H]1C ZINC001301876616 1066878136 /nfs/dbraw/zinc/87/81/36/1066878136.db2.gz GEHYNYXPAOFNIB-BZLGKWSOSA-N 1 0 463.667 3.473 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCSCC(F)(F)F ZINC001302296841 1066879727 /nfs/dbraw/zinc/87/97/27/1066879727.db2.gz YANGMGRQSHLSLL-BZSNNMDCSA-N 1 0 477.597 3.362 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCc2cn[nH]c2)C[C@@H]1C ZINC001301877752 1066880200 /nfs/dbraw/zinc/88/02/00/1066880200.db2.gz RGYPSNCHLLAHPR-ZWKOTPCHSA-N 1 0 474.009 3.194 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001301878586 1066882258 /nfs/dbraw/zinc/88/22/58/1066882258.db2.gz CZEOLGHDLZLCNO-LJQANCHMSA-N 1 0 489.064 3.452 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)c2ccccc2)C[C@H]1C ZINC001301878539 1066882387 /nfs/dbraw/zinc/88/23/87/1066882387.db2.gz XXMMVVJUOSAEIQ-VRUMLPLGSA-N 1 0 471.646 3.279 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001301878922 1066883242 /nfs/dbraw/zinc/88/32/42/1066883242.db2.gz HPNGGNHOSWZFNB-SFHVURJKSA-N 1 0 474.625 3.498 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001301879930 1066884797 /nfs/dbraw/zinc/88/47/97/1066884797.db2.gz MSRRQYDPWLQLEE-OALUTQOASA-N 1 0 486.636 3.325 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001301879932 1066884832 /nfs/dbraw/zinc/88/48/32/1066884832.db2.gz MSRRQYDPWLQLEE-RTBURBONSA-N 1 0 486.636 3.325 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001301880208 1066885302 /nfs/dbraw/zinc/88/53/02/1066885302.db2.gz QNFLPAODSLIWES-OALUTQOASA-N 1 0 472.634 3.087 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001301881256 1066887900 /nfs/dbraw/zinc/88/79/00/1066887900.db2.gz ZAKKAEJCLQILJO-UHFFFAOYSA-N 1 0 452.647 3.441 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccsc2)C[C@@H]1C ZINC001301882053 1066888980 /nfs/dbraw/zinc/88/89/80/1066888980.db2.gz KYPGUCISGAAGCY-HNNXBMFYSA-N 1 0 479.448 3.497 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCCO)C[C@@H]1C ZINC001301882036 1066889011 /nfs/dbraw/zinc/88/90/11/1066889011.db2.gz KUEATPWWJXXIDY-INIZCTEOSA-N 1 0 484.414 3.166 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccsc2)C[C@H]1C ZINC001301882055 1066889143 /nfs/dbraw/zinc/88/91/43/1066889143.db2.gz KYPGUCISGAAGCY-OAHLLOKOSA-N 1 0 479.448 3.497 20 0 JGADRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC001301881946 1066889236 /nfs/dbraw/zinc/88/92/36/1066889236.db2.gz PHTFOTPBFWPODN-AVRDEDQJSA-N 1 0 459.537 3.272 20 0 JGADRO 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CC(=O)NCC1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001301886566 1066897918 /nfs/dbraw/zinc/89/79/18/1066897918.db2.gz KYIQWRJTYDRYAX-UHFFFAOYSA-N 1 0 466.674 3.318 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001301887129 1066898918 /nfs/dbraw/zinc/89/89/18/1066898918.db2.gz NTGRMHFEHRYGMB-HYBUGGRVSA-N 1 0 468.646 3.393 20 0 JGADRO CC(=O)NCC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001301887127 1066898964 /nfs/dbraw/zinc/89/89/64/1066898964.db2.gz NTGRMHFEHRYGMB-GBXCKJPGSA-N 1 0 468.646 3.393 20 0 JGADRO CC(C)(C)OCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001302308435 1066900233 /nfs/dbraw/zinc/90/02/33/1066900233.db2.gz DEMUIBCKAWWAJC-JOCHJYFZSA-N 1 0 490.693 3.153 20 0 JGADRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001301888093 1066902558 /nfs/dbraw/zinc/90/25/58/1066902558.db2.gz LWQMFSFETUGQCI-XDHUDOTRSA-N 1 0 488.995 3.197 20 0 JGADRO 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CC(=O)NCC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001301890236 1066910063 /nfs/dbraw/zinc/91/00/63/1066910063.db2.gz JSFZPPYQNDFRQC-LJQANCHMSA-N 1 0 456.610 3.092 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301890649 1066910436 /nfs/dbraw/zinc/91/04/36/1066910436.db2.gz MOBJRWRXOHYBCC-KDURUIRLSA-N 1 0 487.718 3.354 20 0 JGADRO CC(C)(C)OCCn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001302314697 1066911108 /nfs/dbraw/zinc/91/11/08/1066911108.db2.gz SMOKZDLZLKFBRR-UHFFFAOYSA-N 1 0 461.582 3.112 20 0 JGADRO CC(C)(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001302315165 1066911882 /nfs/dbraw/zinc/91/18/82/1066911882.db2.gz KMLVSGFJBWYQNC-UHFFFAOYSA-N 1 0 489.690 3.041 20 0 JGADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301891681 1066912268 /nfs/dbraw/zinc/91/22/68/1066912268.db2.gz XEWROPQOIKRPOU-OYRHEFFESA-N 1 0 481.689 3.373 20 0 JGADRO 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Cc1cccc(O[C@H](C)c2nnc(N3CCC(CO)CC3)n2CC2([NH+](C)C)CCOCC2)c1C ZINC001304024548 1067069743 /nfs/dbraw/zinc/06/97/43/1067069743.db2.gz SJINMQNXTIODBP-OAQYLSRUSA-N 1 0 471.646 3.354 20 0 JGADRO CC(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001302467836 1067071354 /nfs/dbraw/zinc/07/13/54/1067071354.db2.gz CDXHGFMKCVLNAH-JOCHJYFZSA-N 1 0 475.641 3.137 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001304028431 1067075492 /nfs/dbraw/zinc/07/54/92/1067075492.db2.gz FNIRQFHOFJHTNI-YADHBBJMSA-N 1 0 468.646 3.482 20 0 JGADRO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001302471377 1067075637 /nfs/dbraw/zinc/07/56/37/1067075637.db2.gz QXNTWBBOXHEMDI-GMAHTHKFSA-N 1 0 467.662 3.127 20 0 JGADRO CC(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001302472057 1067076573 /nfs/dbraw/zinc/07/65/73/1067076573.db2.gz XAMXTLUGRODBQL-UHFFFAOYSA-N 1 0 458.626 3.338 20 0 JGADRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CC1 ZINC001302476253 1067078333 /nfs/dbraw/zinc/07/83/33/1067078333.db2.gz JHJYLHOIUSGLNU-GOSISDBHSA-N 1 0 454.036 3.461 20 0 JGADRO CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001302477405 1067078774 /nfs/dbraw/zinc/07/87/74/1067078774.db2.gz APGNLOBKSZQURE-ACIOBRDBSA-N 1 0 468.646 3.391 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCN(c4cnn(C)c4)CC3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304030895 1067078914 /nfs/dbraw/zinc/07/89/14/1067078914.db2.gz QZJKSYRNBSEFTI-TZIWHRDSSA-N 1 0 466.634 3.045 20 0 JGADRO CC(C)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001302478321 1067079298 /nfs/dbraw/zinc/07/92/98/1067079298.db2.gz UHFKYTYCKUCHAN-JOCHJYFZSA-N 1 0 451.619 3.216 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001302484811 1067084135 /nfs/dbraw/zinc/08/41/35/1067084135.db2.gz BWELPCAJCAMLAY-ZHRRBRCNSA-N 1 0 495.466 3.132 20 0 JGADRO CC(C)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001302489063 1067089494 /nfs/dbraw/zinc/08/94/94/1067089494.db2.gz XFPFNRWEESCKPQ-UHFFFAOYSA-N 1 0 452.647 3.447 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302497289 1067095688 /nfs/dbraw/zinc/09/56/88/1067095688.db2.gz LICCNKANJPFQRY-PXDATVDWSA-N 1 0 476.065 3.478 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC1CCC1 ZINC001302499143 1067097632 /nfs/dbraw/zinc/09/76/32/1067097632.db2.gz BNVZLSKBDNNVLG-SANMLTNESA-N 1 0 454.663 3.286 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C ZINC001304057700 1067099439 /nfs/dbraw/zinc/09/94/39/1067099439.db2.gz ZUJBFKPXZGOWGB-AEFFLSMTSA-N 1 0 461.680 3.369 20 0 JGADRO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)[C@@H](C)CC(N)=O)n1CC[NH+]1CCCC1 ZINC001304058760 1067101277 /nfs/dbraw/zinc/10/12/77/1067101277.db2.gz OIXWBHZJXHNEMH-INIZCTEOSA-N 1 0 453.616 3.173 20 0 JGADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001302505025 1067106837 /nfs/dbraw/zinc/10/68/37/1067106837.db2.gz WBOUUCOIGDLFRY-OAQYLSRUSA-N 1 0 490.656 3.244 20 0 JGADRO C[S@](=O)C1(Cn2c(N3CCC(CCC[NH+]4CCOCC4)CC3)nnc2C(C)(C)C)CCC1 ZINC001302507868 1067111115 /nfs/dbraw/zinc/11/11/15/1067111115.db2.gz FBQKZUKBUKRWBJ-YTTGMZPUSA-N 1 0 465.708 3.206 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001302509303 1067114698 /nfs/dbraw/zinc/11/46/98/1067114698.db2.gz BZLWDVKLXBYZTC-UNMCSNQZSA-N 1 0 462.683 3.278 20 0 JGADRO Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001304072261 1067116115 /nfs/dbraw/zinc/11/61/15/1067116115.db2.gz WXRMHFHOYWOVLG-IBGZPJMESA-N 1 0 458.676 3.222 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[NH+]1CCC(C)CC1 ZINC001304076270 1067120495 /nfs/dbraw/zinc/12/04/95/1067120495.db2.gz LFMXPUCJIGFFRT-UHFFFAOYSA-N 1 0 454.604 3.059 20 0 JGADRO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCCCC2)cnn1C ZINC001304076946 1067121755 /nfs/dbraw/zinc/12/17/55/1067121755.db2.gz ANUBKNRYTCTCRH-VWLOTQADSA-N 1 0 473.666 3.262 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCC2)cnn1C ZINC001304077129 1067121810 /nfs/dbraw/zinc/12/18/10/1067121810.db2.gz DAAKUYFHCYYGMV-UHFFFAOYSA-N 1 0 458.408 3.482 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)cnn1C ZINC001304077496 1067122376 /nfs/dbraw/zinc/12/23/76/1067122376.db2.gz FMRHJRMEZKRDFV-UHFFFAOYSA-N 1 0 458.010 3.388 20 0 JGADRO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C2CCCCC2)cnn1C ZINC001304078922 1067123644 /nfs/dbraw/zinc/12/36/44/1067123644.db2.gz MIJOSEOBGHMCLY-VWLOTQADSA-N 1 0 473.666 3.262 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[NH+]2CCCCC2)cnn1C ZINC001304079342 1067123757 /nfs/dbraw/zinc/12/37/57/1067123757.db2.gz SWTSLSBHZJLDDB-UHFFFAOYSA-N 1 0 499.685 3.291 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@H]1C)[NH+]1CCOCC1 ZINC001302511975 1067124154 /nfs/dbraw/zinc/12/41/54/1067124154.db2.gz AGAAVGWDMTVFHP-VQIMIIECSA-N 1 0 495.466 3.396 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCC[C@@H](C)C2)cnn1C ZINC001304079602 1067124316 /nfs/dbraw/zinc/12/43/16/1067124316.db2.gz OUEBYSWIFBOPDG-OAHLLOKOSA-N 1 0 475.439 3.446 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCSC1)[NH+]1CCOCC1 ZINC001302513104 1067127460 /nfs/dbraw/zinc/12/74/60/1067127460.db2.gz IEUVSCSNUAFTOO-WMZOPIPTSA-N 1 0 483.480 3.334 20 0 JGADRO Cc1occc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001304082174 1067128750 /nfs/dbraw/zinc/12/87/50/1067128750.db2.gz WMSOHPRJHSVGKB-LPHOPBHVSA-N 1 0 492.671 3.325 20 0 JGADRO Cc1ncsc1CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304087738 1067132218 /nfs/dbraw/zinc/13/22/18/1067132218.db2.gz FSQWYMGZHFYPGB-SOLBZPMBSA-N 1 0 459.664 3.387 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302516612 1067135770 /nfs/dbraw/zinc/13/57/70/1067135770.db2.gz WGWKEOOQIPZJHO-LEWJYISDSA-N 1 0 486.665 3.245 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302517693 1067136874 /nfs/dbraw/zinc/13/68/74/1067136874.db2.gz AVYGGOVIQHXAJE-NFBKMPQASA-N 1 0 498.594 3.170 20 0 JGADRO Cc1c(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cnn1C ZINC001304097659 1067139380 /nfs/dbraw/zinc/13/93/80/1067139380.db2.gz WPUVMHDZNCLGRC-FQEVSTJZSA-N 1 0 484.674 3.068 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3ccccc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC001304098043 1067139821 /nfs/dbraw/zinc/13/98/21/1067139821.db2.gz ITXWGQNQWNWZQJ-KDURUIRLSA-N 1 0 485.608 3.174 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N(C)CCOc1ccccc1)[NH+]1CCOCC1 ZINC001302520342 1067140192 /nfs/dbraw/zinc/14/01/92/1067140192.db2.gz UWLBQMIWNFWXJI-QHCPKHFHSA-N 1 0 450.587 3.212 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302521630 1067141088 /nfs/dbraw/zinc/14/10/88/1067141088.db2.gz ZEKHDZYGFIAJKC-HXUWFJFHSA-N 1 0 467.584 3.478 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001302522894 1067142845 /nfs/dbraw/zinc/14/28/45/1067142845.db2.gz GGWDYTMKFUQQSA-RTBURBONSA-N 1 0 491.624 3.469 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCCC1 ZINC001302523981 1067145243 /nfs/dbraw/zinc/14/52/43/1067145243.db2.gz AVDFAEGZSDEVKD-HSZRJFAPSA-N 1 0 461.614 3.120 20 0 JGADRO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001302524291 1067146069 /nfs/dbraw/zinc/14/60/69/1067146069.db2.gz FGRRWZBGGWSDFS-CTNGQTDRSA-N 1 0 479.595 3.457 20 0 JGADRO Cc1c(Cn2c(-c3ccccc3F)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)cnn1C ZINC001304109664 1067151618 /nfs/dbraw/zinc/15/16/18/1067151618.db2.gz FCUQIAVIAJCRGJ-UHFFFAOYSA-N 1 0 495.525 3.265 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[NH+]1CCCC1 ZINC001302526958 1067152385 /nfs/dbraw/zinc/15/23/85/1067152385.db2.gz XFGZMSQJCIYVJL-HXUWFJFHSA-N 1 0 497.585 3.407 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)N1CCOCC1 ZINC001302527166 1067153045 /nfs/dbraw/zinc/15/30/45/1067153045.db2.gz ZFKLPSUPTZGMQS-XMMPIXPASA-N 1 0 483.705 3.179 20 0 JGADRO CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001302529114 1067157789 /nfs/dbraw/zinc/15/77/89/1067157789.db2.gz RXOIZYISBMZSKY-QZTJIDSGSA-N 1 0 456.557 3.300 20 0 JGADRO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cscn1)[NH+]1CCCC1 ZINC001302529304 1067158388 /nfs/dbraw/zinc/15/83/88/1067158388.db2.gz WFVWVFQVZKTDLA-SFHVURJKSA-N 1 0 473.672 3.483 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC001302532258 1067161634 /nfs/dbraw/zinc/16/16/34/1067161634.db2.gz XDZHOWNDTDYNAF-RTBURBONSA-N 1 0 450.628 3.209 20 0 JGADRO Cc1nnsc1Cn1c(N2CCC(C[N@H+](C)C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304126919 1067165691 /nfs/dbraw/zinc/16/56/91/1067165691.db2.gz YCIWQHKXWVGGBN-QHCPKHFHSA-N 1 0 477.679 3.084 20 0 JGADRO CC(C)c1ccnc(N2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001302536188 1067166694 /nfs/dbraw/zinc/16/66/94/1067166694.db2.gz KQLCKSGRUVSHAT-GOSISDBHSA-N 1 0 484.599 3.337 20 0 JGADRO CS[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001302537027 1067169205 /nfs/dbraw/zinc/16/92/05/1067169205.db2.gz UZTNJWLWUSVJCJ-HXUWFJFHSA-N 1 0 486.686 3.447 20 0 JGADRO Cc1c(Cl)cccc1Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C ZINC001304133737 1067171917 /nfs/dbraw/zinc/17/19/17/1067171917.db2.gz YADTXSHGZHVNPP-FQEVSTJZSA-N 1 0 459.038 3.329 20 0 JGADRO Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001304133711 1067172036 /nfs/dbraw/zinc/17/20/36/1067172036.db2.gz XIQFULRLZSINLJ-UHFFFAOYSA-N 1 0 485.036 3.447 20 0 JGADRO CC(C)c1nc([C@@H]2CN(c3nnc(Cc4ccc(F)cc4)n3C[C@H](C)[NH+](C)C)CCO2)no1 ZINC001302544426 1067177701 /nfs/dbraw/zinc/17/77/01/1067177701.db2.gz BDRZCBRZFFFPNF-LPHOPBHVSA-N 1 0 457.554 3.042 20 0 JGADRO CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001302545231 1067178974 /nfs/dbraw/zinc/17/89/74/1067178974.db2.gz HMIRPIRUIPHNGV-JQVVWYNYSA-N 1 0 456.660 3.076 20 0 JGADRO CS[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001302547821 1067183476 /nfs/dbraw/zinc/18/34/76/1067183476.db2.gz SOFJGPOOGJGJAG-KRWDZBQOSA-N 1 0 463.051 3.094 20 0 JGADRO CC(C)c1nc([C@@H]2CN(c3nnc(COc4ccccc4F)n3C[C@@H](C)[NH+](C)C)CCO2)no1 ZINC001302547866 1067184011 /nfs/dbraw/zinc/18/40/11/1067184011.db2.gz YMTOMWSZINVNKN-APWZRJJASA-N 1 0 473.553 3.031 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC[NH+]1CCCCC1 ZINC001304141553 1067184165 /nfs/dbraw/zinc/18/41/65/1067184165.db2.gz QHXMDYZXMFBCKD-RBUKOAKNSA-N 1 0 475.037 3.486 20 0 JGADRO 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CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1cc(COC(C)(C)C)on1 ZINC001302690608 1067315954 /nfs/dbraw/zinc/31/59/54/1067315954.db2.gz UCJRTDWBZZKGPF-GOSISDBHSA-N 1 0 460.623 3.442 20 0 JGADRO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001302691033 1067316087 /nfs/dbraw/zinc/31/60/87/1067316087.db2.gz AWCRXMRYFIXMHA-QGZVFWFLSA-N 1 0 452.525 3.217 20 0 JGADRO Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)CC2CCOCC2)[NH+]2CCCC2)cc1 ZINC001304277327 1067316066 /nfs/dbraw/zinc/31/60/66/1067316066.db2.gz XHHPIYXDIWRCFK-HSZRJFAPSA-N 1 0 468.646 3.425 20 0 JGADRO Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC001304277800 1067316596 /nfs/dbraw/zinc/31/65/96/1067316596.db2.gz FXKYWXMVZRYXBD-QYZOEREBSA-N 1 0 453.509 3.161 20 0 JGADRO Cc1ccc([C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)[NH+](C)C)cc1 ZINC001304277985 1067317125 /nfs/dbraw/zinc/31/71/25/1067317125.db2.gz HQRBSRIMMOFBNW-DHIUTWEWSA-N 1 0 468.646 3.088 20 0 JGADRO 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CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(C)(C)O ZINC001304351840 1067393262 /nfs/dbraw/zinc/39/32/62/1067393262.db2.gz GABVAPZHJPPMNH-YTFSRNRJSA-N 1 0 467.610 3.435 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC2(CCOCC2)C1)[NH+](C)C ZINC001302807874 1067395737 /nfs/dbraw/zinc/39/57/37/1067395737.db2.gz JNHPACJKHWDLPY-IBGZPJMESA-N 1 0 463.026 3.356 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001302808399 1067396579 /nfs/dbraw/zinc/39/65/79/1067396579.db2.gz OWGQNGLGMJWZKV-ICSRJNTNSA-N 1 0 474.053 3.465 20 0 JGADRO Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC([NH2+]C(C)C)CC2)c(=O)n1C ZINC001304356811 1067396600 /nfs/dbraw/zinc/39/66/00/1067396600.db2.gz JVGGFENGBDQHFD-UHFFFAOYSA-N 1 0 470.568 3.169 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001302808850 1067397267 /nfs/dbraw/zinc/39/72/67/1067397267.db2.gz ROVAHCBWQLXKKJ-SJORKVTESA-N 1 0 497.507 3.266 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(c2ccccc2)C1)[NH+](C)C ZINC001302809116 1067397506 /nfs/dbraw/zinc/39/75/06/1067397506.db2.gz UNLHYFUXOJVRGE-DENIHFKCSA-N 1 0 474.675 3.158 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H]1C)[NH+](C)C ZINC001302809129 1067397839 /nfs/dbraw/zinc/39/78/39/1067397839.db2.gz UUFCQDLRVRWSFP-UYAOXDASSA-N 1 0 462.664 3.160 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001302809330 1067397960 /nfs/dbraw/zinc/39/79/60/1067397960.db2.gz VEBUDOGAJGMKOY-MHECFPHRSA-N 1 0 476.572 3.239 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1)[NH+](C)C ZINC001302810660 1067398727 /nfs/dbraw/zinc/39/87/27/1067398727.db2.gz BHNTZYLPJBFJEY-NRFANRHFSA-N 1 0 479.677 3.500 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(OC[C@H]2CCOC2)CC1)[NH+](C)C ZINC001302811696 1067399187 /nfs/dbraw/zinc/39/91/87/1067399187.db2.gz LEMRSGRADXIVKO-LEWJYISDSA-N 1 0 456.635 3.338 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1)[NH+](C)C ZINC001302812208 1067399679 /nfs/dbraw/zinc/39/96/79/1067399679.db2.gz PJBCHZNXRXMHLK-RBBKRZOGSA-N 1 0 456.635 3.338 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1)[NH+](C)C ZINC001302812749 1067399833 /nfs/dbraw/zinc/39/98/33/1067399833.db2.gz SQCSQAYZKBYHKH-QHCPKHFHSA-N 1 0 477.657 3.151 20 0 JGADRO CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001302814614 1067401387 /nfs/dbraw/zinc/40/13/87/1067401387.db2.gz XXSQTNOFCCFXSM-GIVPXCGWSA-N 1 0 456.660 3.472 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(N)=O)CC1)[NH+](C)C ZINC001302816254 1067402884 /nfs/dbraw/zinc/40/28/84/1067402884.db2.gz FZOIILBARLFDDR-HXUWFJFHSA-N 1 0 465.602 3.278 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1)[NH+](C)C ZINC001302816247 1067402907 /nfs/dbraw/zinc/40/29/07/1067402907.db2.gz FXPCIWZUCJONFA-NRFANRHFSA-N 1 0 497.047 3.327 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302816679 1067403822 /nfs/dbraw/zinc/40/38/22/1067403822.db2.gz AUCWYPOQWOPHHM-MTQWCTHYSA-N 1 0 464.655 3.108 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001302817420 1067404753 /nfs/dbraw/zinc/40/47/53/1067404753.db2.gz DDIJGHCTCKMCBE-LFAGZIFBSA-N 1 0 456.635 3.015 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001302817898 1067405172 /nfs/dbraw/zinc/40/51/72/1067405172.db2.gz GZRKJJPWNOCVHX-ISKFKSNPSA-N 1 0 482.673 3.499 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302819746 1067407096 /nfs/dbraw/zinc/40/70/96/1067407096.db2.gz QHRJNMNFUNJRPY-OALUTQOASA-N 1 0 472.638 3.205 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2F)CC1)[NH+](C)C ZINC001302820564 1067408326 /nfs/dbraw/zinc/40/83/26/1067408326.db2.gz QFKSYSJTLTWYGZ-WOJBJXKFSA-N 1 0 459.614 3.009 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCc2ccccc2)C1)[NH+](C)C ZINC001302820554 1067408382 /nfs/dbraw/zinc/40/83/82/1067408382.db2.gz UPYHYJBHSYROJE-YPAWHYETSA-N 1 0 454.619 3.001 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1)[NH+](C)C ZINC001302820631 1067408451 /nfs/dbraw/zinc/40/84/51/1067408451.db2.gz RLWKLKFJYWSBHV-DFQSSKMNSA-N 1 0 463.648 3.060 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1)[NH+](C)C ZINC001302820633 1067408693 /nfs/dbraw/zinc/40/86/93/1067408693.db2.gz RLWKLKFJYWSBHV-YSIASYRMSA-N 1 0 463.648 3.060 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001302820905 1067408703 /nfs/dbraw/zinc/40/87/03/1067408703.db2.gz VHINEUGFJYURMP-FCHUYYIVSA-N 1 0 460.667 3.477 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC001302821038 1067409281 /nfs/dbraw/zinc/40/92/81/1067409281.db2.gz WCSDRRYUFIAATA-KNQAVFIVSA-N 1 0 482.629 3.228 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3([NH+](C)C)CCC[C@H](C)C3)CC2=O)cc1 ZINC001304372466 1067410194 /nfs/dbraw/zinc/41/01/94/1067410194.db2.gz YYFFLIBVYMMXNI-KDYSTLNUSA-N 1 0 495.672 3.088 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1)[NH+](C)C ZINC001302821743 1067410582 /nfs/dbraw/zinc/41/05/82/1067410582.db2.gz YLTLNHIRTOQGPS-DUXKGJEZSA-N 1 0 476.572 3.062 20 0 JGADRO CC(C)C[C@H](Cn1c(CC2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+](C)C ZINC001302822319 1067411018 /nfs/dbraw/zinc/41/10/18/1067411018.db2.gz MSJXWDHDFHQEHV-GOSISDBHSA-N 1 0 458.573 3.102 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001302822915 1067411885 /nfs/dbraw/zinc/41/18/85/1067411885.db2.gz PWQUPYPSGAHSTP-PZJWPPBQSA-N 1 0 458.676 3.402 20 0 JGADRO CC(C)C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC2(CCN(C)C2=O)CC1)[NH+](C)C ZINC001302823192 1067411905 /nfs/dbraw/zinc/41/19/05/1067411905.db2.gz REQKKXDTGHAIEV-HXUWFJFHSA-N 1 0 486.636 3.421 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)[NH+](C)C ZINC001304373851 1067412129 /nfs/dbraw/zinc/41/21/29/1067412129.db2.gz DKTJGHPAUWFNBM-KRWDZBQOSA-N 1 0 452.607 3.084 20 0 JGADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@@H](c2ccccc2)C1)[NH+](C)C ZINC001302824110 1067412852 /nfs/dbraw/zinc/41/28/52/1067412852.db2.gz XJOKHHYYYNNMMF-XZOQPEGZSA-N 1 0 468.646 3.345 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCOC(C)(C)[C@@H]1C)[NH+](C)C ZINC001302824293 1067413295 /nfs/dbraw/zinc/41/32/95/1067413295.db2.gz YVFXKEOXLXNDSX-PZJWPPBQSA-N 1 0 453.635 3.497 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCCCC[NH+]2CCCCC2)cc1C ZINC001304374501 1067413297 /nfs/dbraw/zinc/41/32/97/1067413297.db2.gz FENPVIKKYYWSLA-JOCHJYFZSA-N 1 0 495.672 3.470 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O)[NH+](C)C ZINC001302824867 1067414284 /nfs/dbraw/zinc/41/42/84/1067414284.db2.gz VKOYSOCFIHUIOF-OTWHNJEPSA-N 1 0 479.670 3.027 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C2CC2)[NH+](C)C)cc1C ZINC001304375204 1067414788 /nfs/dbraw/zinc/41/47/88/1067414788.db2.gz HURWGCUKEQDMSH-FCHUYYIVSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3nccs3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304375259 1067415199 /nfs/dbraw/zinc/41/51/99/1067415199.db2.gz JSRGVEVRVOJZRF-UHFFFAOYSA-N 1 0 483.642 3.087 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCCO3)n2CC2([NH+](C)C)CCOCC2)cc1C ZINC001304375271 1067415217 /nfs/dbraw/zinc/41/52/17/1067415217.db2.gz KGUSKYZZMYZOKG-JOCHJYFZSA-N 1 0 484.645 3.263 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3COC(C)(C)OC3)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001304375478 1067415801 /nfs/dbraw/zinc/41/58/01/1067415801.db2.gz MQXNHJJNQDSAHY-HXUWFJFHSA-N 1 0 484.645 3.467 20 0 JGADRO C[C@@H](C1CCCCC1)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001302826001 1067416090 /nfs/dbraw/zinc/41/60/90/1067416090.db2.gz CYOSWFMDAPZOMO-BVZFJXPGSA-N 1 0 489.064 3.333 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001304375786 1067416167 /nfs/dbraw/zinc/41/61/67/1067416167.db2.gz PUJJDXCIIFGUTR-XMSQKQJNSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2CC[N@H+]2CC=CCC2)cc1C ZINC001304375710 1067416284 /nfs/dbraw/zinc/41/62/84/1067416284.db2.gz PBSDKFVLDIGLJT-UHFFFAOYSA-N 1 0 452.603 3.272 20 0 JGADRO CSCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001302827838 1067417623 /nfs/dbraw/zinc/41/76/23/1067417623.db2.gz WKTMIRIIVBNENI-INDMIFKZSA-N 1 0 464.680 3.475 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H](C)[N@H+](C)C2CC2)cc1C ZINC001304376881 1067418996 /nfs/dbraw/zinc/41/89/96/1067418996.db2.gz BXYVFJVHLLBMLN-FQEVSTJZSA-N 1 0 495.672 3.325 20 0 JGADRO CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CCN1CCOC[C@H]1C ZINC001302834334 1067421865 /nfs/dbraw/zinc/42/18/65/1067421865.db2.gz BGHVBHPESQNJMJ-JOCHJYFZSA-N 1 0 454.663 3.298 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001304379081 1067423308 /nfs/dbraw/zinc/42/33/08/1067423308.db2.gz UUZIMPYNBSPFML-HSZRJFAPSA-N 1 0 495.672 3.359 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2CCC[NH+]2CCC(C)CC2)cc1C ZINC001304379430 1067424446 /nfs/dbraw/zinc/42/44/46/1067424446.db2.gz XRSAWFWYUOEHDJ-UHFFFAOYSA-N 1 0 495.672 3.361 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCOCC(F)F)cc1C ZINC001304379585 1067424850 /nfs/dbraw/zinc/42/48/50/1067424850.db2.gz KEQMYLJDKIPVBU-UHFFFAOYSA-N 1 0 464.561 3.396 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001304380318 1067427395 /nfs/dbraw/zinc/42/73/95/1067427395.db2.gz YQANWXXMIKFSIW-AREMUKBSSA-N 1 0 466.630 3.396 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[NH+]2CCCCC2)cc1C ZINC001304382865 1067431979 /nfs/dbraw/zinc/43/19/79/1067431979.db2.gz IRIHGWCGTINPBK-JOCHJYFZSA-N 1 0 495.672 3.326 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCCOC(F)F)cc1C ZINC001304384373 1067434883 /nfs/dbraw/zinc/43/48/83/1067434883.db2.gz PKSGMBGRZNPVIV-UHFFFAOYSA-N 1 0 462.545 3.451 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1F ZINC001302850823 1067435604 /nfs/dbraw/zinc/43/56/04/1067435604.db2.gz RXWBPTVKKCPVMU-XPGWFJOJSA-N 1 0 480.991 3.475 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCN2CCOCC2)cc1C ZINC001304384920 1067436544 /nfs/dbraw/zinc/43/65/44/1067436544.db2.gz WCQPPWJMSRZVNZ-UHFFFAOYSA-N 1 0 497.688 3.180 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001304384912 1067436591 /nfs/dbraw/zinc/43/65/91/1067436591.db2.gz VSAYJWCZZNZMDJ-SFTDATJTSA-N 1 0 481.645 3.113 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](OCC4CC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304384939 1067436616 /nfs/dbraw/zinc/43/66/16/1067436616.db2.gz VWMLDPCGWPUMNV-UGKGYDQZSA-N 1 0 454.619 3.493 20 0 JGADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001302853896 1067438210 /nfs/dbraw/zinc/43/82/10/1067438210.db2.gz ZDSIEBVLMPRQKA-MQSCRBSSSA-N 1 0 450.501 3.311 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H]([C@@H]4CCCO4)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001304386194 1067439424 /nfs/dbraw/zinc/43/94/24/1067439424.db2.gz IEYPGRBSMGDWLK-FCHUYYIVSA-N 1 0 484.645 3.119 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@H]4CCOC4)n3CCC[N@@H+](C)C(C)C)C2)nc1 ZINC001304386993 1067441809 /nfs/dbraw/zinc/44/18/09/1067441809.db2.gz MYKLRHUFVPULIO-RTWAWAEBSA-N 1 0 469.634 3.071 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C[C@@H]1F ZINC001302859809 1067442473 /nfs/dbraw/zinc/44/24/73/1067442473.db2.gz QDYNWEZDTCHEFS-AQNXPRMDSA-N 1 0 482.645 3.203 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4cccnc4)n3CC[N@@H+](C)C(C)C)C2)nc1 ZINC001304387341 1067442579 /nfs/dbraw/zinc/44/25/79/1067442579.db2.gz QAMGBPZCZORFEX-NRFANRHFSA-N 1 0 462.602 3.239 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C(F)(F)F ZINC001302860838 1067443319 /nfs/dbraw/zinc/44/33/19/1067443319.db2.gz DNBGRMDOCGLZMR-SJLPKXTDSA-N 1 0 452.525 3.009 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001304387922 1067444581 /nfs/dbraw/zinc/44/45/81/1067444581.db2.gz ITGSMZGGNXSOQB-OAQYLSRUSA-N 1 0 462.602 3.239 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001304388405 1067446031 /nfs/dbraw/zinc/44/60/31/1067446031.db2.gz CUESSPJRIZIJMT-NHCUHLMSSA-N 1 0 454.619 3.287 20 0 JGADRO CC(C)Cc1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302865586 1067446689 /nfs/dbraw/zinc/44/66/89/1067446689.db2.gz BQBFXOCWGJINOJ-HFZDXXHNSA-N 1 0 471.646 3.240 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(-c4ccccn4)n3CC(C)(C)C[NH+](C)C)CC2)nc1 ZINC001304388925 1067447540 /nfs/dbraw/zinc/44/75/40/1067447540.db2.gz IJDBVSTVQBSBPR-UHFFFAOYSA-N 1 0 476.629 3.486 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccccn2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001302866733 1067447734 /nfs/dbraw/zinc/44/77/34/1067447734.db2.gz OSUKNRIERZITNN-HXUWFJFHSA-N 1 0 499.660 3.287 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Br)s2)n1CC(C)(C)O ZINC001302867799 1067448402 /nfs/dbraw/zinc/44/84/02/1067448402.db2.gz XUVGYUVWUGPIGQ-CQSZACIVSA-N 1 0 484.464 3.230 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302871481 1067452665 /nfs/dbraw/zinc/45/26/65/1067452665.db2.gz DAAFEMAYLZIPIS-JOCHJYFZSA-N 1 0 482.673 3.201 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302871702 1067453783 /nfs/dbraw/zinc/45/37/83/1067453783.db2.gz DOSOKDDEANSBKT-XMMPIXPASA-N 1 0 495.716 3.240 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001304395259 1067456952 /nfs/dbraw/zinc/45/69/52/1067456952.db2.gz HGDHAFMVIJDCRW-HSZRJFAPSA-N 1 0 498.672 3.033 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCCC[NH+]1CCOCC1 ZINC001302874801 1067457921 /nfs/dbraw/zinc/45/79/21/1067457921.db2.gz BLVBMLGKACHTBX-NRFANRHFSA-N 1 0 461.573 3.119 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001304398010 1067460104 /nfs/dbraw/zinc/46/01/04/1067460104.db2.gz PHUNSPYZHGDIGG-DEOSSOPVSA-N 1 0 481.645 3.201 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@H](C)O1 ZINC001302879166 1067461014 /nfs/dbraw/zinc/46/10/14/1067461014.db2.gz LBCJEXQGRDJBMD-JZXOWHBKSA-N 1 0 451.974 3.198 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001304398748 1067460997 /nfs/dbraw/zinc/46/09/97/1067460997.db2.gz UOEOGPWJRRYXBT-JOCHJYFZSA-N 1 0 481.645 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3ccccn3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304398936 1067461500 /nfs/dbraw/zinc/46/15/00/1067461500.db2.gz YQLKHNNGKUAZTH-UHFFFAOYSA-N 1 0 464.614 3.352 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001302879840 1067461527 /nfs/dbraw/zinc/46/15/27/1067461527.db2.gz NOEOERFMZYUNJB-OAQYLSRUSA-N 1 0 464.614 3.396 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001304403335 1067465293 /nfs/dbraw/zinc/46/52/93/1067465293.db2.gz GVHXHRJREPVUPC-QHCPKHFHSA-N 1 0 470.662 3.054 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001302883268 1067465326 /nfs/dbraw/zinc/46/53/26/1067465326.db2.gz QYJKUAQFXGXTDJ-HDICACEKSA-N 1 0 478.588 3.186 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302886037 1067466697 /nfs/dbraw/zinc/46/66/97/1067466697.db2.gz FTGQGJXXCYQTKZ-DEOSSOPVSA-N 1 0 495.672 3.132 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCN1C(=O)OC(C)(C)C ZINC001302888005 1067467806 /nfs/dbraw/zinc/46/78/06/1067467806.db2.gz WMJGDZXZTKRALT-PZJWPPBQSA-N 1 0 476.666 3.228 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CCC(N)=O)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001302888507 1067468285 /nfs/dbraw/zinc/46/82/85/1067468285.db2.gz BKVLEEOIEOQDFA-UHFFFAOYSA-N 1 0 453.635 3.270 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)Nc4nncs4)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304405086 1067468372 /nfs/dbraw/zinc/46/83/72/1067468372.db2.gz SJGFSLQUOJDLKO-SFHVURJKSA-N 1 0 498.657 3.131 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001304406107 1067470134 /nfs/dbraw/zinc/47/01/34/1067470134.db2.gz AUKIBFLSVVZXPT-LVXARBLLSA-N 1 0 468.646 3.296 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001302890549 1067470244 /nfs/dbraw/zinc/47/02/44/1067470244.db2.gz DSGFOMASKXGJGD-VQTJNVASSA-N 1 0 476.666 3.492 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001304406601 1067470531 /nfs/dbraw/zinc/47/05/31/1067470531.db2.gz SURISGIXWKTTGW-VXKWHMMOSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001304406647 1067470588 /nfs/dbraw/zinc/47/05/88/1067470588.db2.gz UXZDTEQFBBGJBO-YZIHRLCOSA-N 1 0 468.646 3.343 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC001302891989 1067471601 /nfs/dbraw/zinc/47/16/01/1067471601.db2.gz XXRABANSWWKYRH-VWPQPMDRSA-N 1 0 457.619 3.165 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001304407226 1067472054 /nfs/dbraw/zinc/47/20/54/1067472054.db2.gz YYMRTCXOBYZVPR-YADHBBJMSA-N 1 0 468.646 3.200 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC(=O)N1CCCCC1 ZINC001302892755 1067473457 /nfs/dbraw/zinc/47/34/57/1067473457.db2.gz MBTNACKDDPVDBI-SZPZYZBQSA-N 1 0 474.694 3.205 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001302893465 1067474449 /nfs/dbraw/zinc/47/44/49/1067474449.db2.gz ZHHSYDYSWMSEHB-SFHVURJKSA-N 1 0 472.600 3.492 20 0 JGADRO CC(C)Cc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001302894134 1067474882 /nfs/dbraw/zinc/47/48/82/1067474882.db2.gz HINWRIMRMBBQAD-HSZRJFAPSA-N 1 0 469.674 3.267 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001304410467 1067476578 /nfs/dbraw/zinc/47/65/78/1067476578.db2.gz FNEHTIYTTGMNAU-XMMPIXPASA-N 1 0 484.689 3.443 20 0 JGADRO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302896235 1067476853 /nfs/dbraw/zinc/47/68/53/1067476853.db2.gz FIBYBZBFFDRWTK-JOCHJYFZSA-N 1 0 471.625 3.303 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001304410873 1067477616 /nfs/dbraw/zinc/47/76/16/1067477616.db2.gz MIPCGUOZYADSBA-IRLDBZIGSA-N 1 0 477.675 3.074 20 0 JGADRO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302896693 1067477861 /nfs/dbraw/zinc/47/78/61/1067477861.db2.gz NALBOLZPOGKDFM-NRFANRHFSA-N 1 0 467.662 3.381 20 0 JGADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001302898298 1067479536 /nfs/dbraw/zinc/47/95/36/1067479536.db2.gz AKAIIWJYOWZSBO-KDURUIRLSA-N 1 0 477.053 3.150 20 0 JGADRO CC(C)Cc1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302898734 1067480515 /nfs/dbraw/zinc/48/05/15/1067480515.db2.gz BPLILAQICFZTMP-QFIPXVFZSA-N 1 0 456.610 3.414 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001304412499 1067481420 /nfs/dbraw/zinc/48/14/20/1067481420.db2.gz NETONIZUJAAUOA-AREMUKBSSA-N 1 0 468.646 3.452 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001302900191 1067482966 /nfs/dbraw/zinc/48/29/66/1067482966.db2.gz SFDOVUPOIDTRBG-KNQAVFIVSA-N 1 0 453.635 3.037 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[NH+]2CCCCCC2)cc1C ZINC001304413761 1067483333 /nfs/dbraw/zinc/48/33/33/1067483333.db2.gz UEAKXAQPDIFCKO-QFIPXVFZSA-N 1 0 468.646 3.442 20 0 JGADRO CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302900645 1067483559 /nfs/dbraw/zinc/48/35/59/1067483559.db2.gz ATRWFKIIZDEFMW-UHFFFAOYSA-N 1 0 492.068 3.203 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001304415193 1067485769 /nfs/dbraw/zinc/48/57/69/1067485769.db2.gz OGJHDSZKUOSFCT-IBGZPJMESA-N 1 0 458.607 3.173 20 0 JGADRO Cc1nn(C)c(C)c1Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001304415618 1067486772 /nfs/dbraw/zinc/48/67/72/1067486772.db2.gz GFYXJFBZNLRQLF-UHFFFAOYSA-N 1 0 451.619 3.485 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(-c4ccccc4Cl)n3CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001302902207 1067486962 /nfs/dbraw/zinc/48/69/62/1067486962.db2.gz YUSLECDAZMYNFF-HDICACEKSA-N 1 0 475.037 3.012 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001302902225 1067487000 /nfs/dbraw/zinc/48/70/00/1067487000.db2.gz ZEAJRBJYDMMOOO-KDURUIRLSA-N 1 0 491.478 3.349 20 0 JGADRO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@]2([NH+](C)C)CCSC2)CCN1C(=O)OC(C)(C)C ZINC001302902442 1067487449 /nfs/dbraw/zinc/48/74/49/1067487449.db2.gz JXPGRGUOLWDOSD-IXFSTUDKSA-N 1 0 480.679 3.013 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccccc2F)n1CCOCC(F)F ZINC001302903248 1067488092 /nfs/dbraw/zinc/48/80/92/1067488092.db2.gz WHVWFLIAVXJFFS-INIZCTEOSA-N 1 0 453.509 3.055 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302905402 1067490442 /nfs/dbraw/zinc/49/04/42/1067490442.db2.gz NUSMLBLRDAPAQR-BHIFYINESA-N 1 0 462.683 3.330 20 0 JGADRO CC(C)Cc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302908538 1067493577 /nfs/dbraw/zinc/49/35/77/1067493577.db2.gz SFAABPMKDJUHEK-JOCHJYFZSA-N 1 0 474.600 3.260 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CC(F)(F)F)cc1C ZINC001304420367 1067495859 /nfs/dbraw/zinc/49/58/59/1067495859.db2.gz VABJFVJHALVGOS-GOSISDBHSA-N 1 0 453.509 3.195 20 0 JGADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001302909845 1067495878 /nfs/dbraw/zinc/49/58/78/1067495878.db2.gz XDHDZUNQKDAEMR-HXUWFJFHSA-N 1 0 486.627 3.442 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001304420680 1067496170 /nfs/dbraw/zinc/49/61/70/1067496170.db2.gz OXLJWKWIZCVYDI-HKBOAZHASA-N 1 0 457.619 3.278 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCN2CCOC(C)(C)C2)cc1C ZINC001304420956 1067496679 /nfs/dbraw/zinc/49/66/79/1067496679.db2.gz XXXGDYFJITUWDG-UHFFFAOYSA-N 1 0 484.689 3.363 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ncnn2C(C)(C)C)cc1 ZINC001304420979 1067496697 /nfs/dbraw/zinc/49/66/97/1067496697.db2.gz YMGLMGADHPFKEQ-UHFFFAOYSA-N 1 0 466.634 3.338 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304421727 1067497640 /nfs/dbraw/zinc/49/76/40/1067497640.db2.gz GEWSQNUAWHCTLB-SFTDATJTSA-N 1 0 459.660 3.262 20 0 JGADRO Cc1ccc(-n2cnnc2SCC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1Cl ZINC001302912909 1067497681 /nfs/dbraw/zinc/49/76/81/1067497681.db2.gz CWJMXCUDAAUHOG-UHFFFAOYSA-N 1 0 450.008 3.081 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001304423949 1067500789 /nfs/dbraw/zinc/50/07/89/1067500789.db2.gz BWGMIQSHNFTMAT-LJQANCHMSA-N 1 0 451.493 3.195 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001302919239 1067500860 /nfs/dbraw/zinc/50/08/60/1067500860.db2.gz JOOZZKPNJBBEEI-OAQYLSRUSA-N 1 0 465.708 3.392 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001302920163 1067501389 /nfs/dbraw/zinc/50/13/89/1067501389.db2.gz RDOLDKYFSSDTTB-REWPJTCUSA-N 1 0 452.647 3.463 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001302920778 1067501759 /nfs/dbraw/zinc/50/17/59/1067501759.db2.gz XGRFNSNNVNLMIA-IFMALSPDSA-N 1 0 482.739 3.095 20 0 JGADRO FC(F)(Br)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001302922313 1067502478 /nfs/dbraw/zinc/50/24/78/1067502478.db2.gz IVHVKIGJJGJOIA-UHFFFAOYSA-N 1 0 481.345 3.462 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302922800 1067502722 /nfs/dbraw/zinc/50/27/22/1067502722.db2.gz JKSQXSHXSGVAPQ-OALUTQOASA-N 1 0 483.583 3.380 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1C ZINC001304425462 1067502901 /nfs/dbraw/zinc/50/29/01/1067502901.db2.gz PZAFLVLVPBUPHS-NRFANRHFSA-N 1 0 468.627 3.165 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1C ZINC001304425880 1067503732 /nfs/dbraw/zinc/50/37/32/1067503732.db2.gz VLVQETWWMRXHFL-AFMDSPMNSA-N 1 0 468.646 3.311 20 0 JGADRO FC(F)(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001302924115 1067504214 /nfs/dbraw/zinc/50/42/14/1067504214.db2.gz DYQVOCDWCBLBOI-INIZCTEOSA-N 1 0 455.351 3.316 20 0 JGADRO FC(F)(F)C1=CCN(c2nnc(Cc3ccncc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001302926256 1067505097 /nfs/dbraw/zinc/50/50/97/1067505097.db2.gz QBIVDHYJJFDVAN-UHFFFAOYSA-N 1 0 450.509 3.075 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001304429262 1067506869 /nfs/dbraw/zinc/50/68/69/1067506869.db2.gz OXBOHTQKZWGHNS-PKTZIBPZSA-N 1 0 471.646 3.497 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001304429258 1067506929 /nfs/dbraw/zinc/50/69/29/1067506929.db2.gz OXBOHTQKZWGHNS-DHIUTWEWSA-N 1 0 471.646 3.497 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[NH+]1CCCCC1 ZINC001302932910 1067508192 /nfs/dbraw/zinc/50/81/92/1067508192.db2.gz FVBUZCOSQQMLMU-UHFFFAOYSA-N 1 0 456.610 3.454 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001302933603 1067508451 /nfs/dbraw/zinc/50/84/51/1067508451.db2.gz MVQCVBPHIWDPKT-LJQANCHMSA-N 1 0 456.610 3.451 20 0 JGADRO CC(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302933245 1067508588 /nfs/dbraw/zinc/50/85/88/1067508588.db2.gz KBQGPSUENWDBGV-IBGZPJMESA-N 1 0 474.616 3.440 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302933983 1067509142 /nfs/dbraw/zinc/50/91/42/1067509142.db2.gz SMCGNRAZNDVBBA-QHCPKHFHSA-N 1 0 476.716 3.328 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CC(=O)NCC(F)(F)F)cc1 ZINC001304432716 1067511495 /nfs/dbraw/zinc/51/14/95/1067511495.db2.gz DUSDPBPCWFDCJG-DLBZAZTESA-N 1 0 482.576 3.230 20 0 JGADRO Cc1ccc(SCc2nnc(N(C)CCN3CCOCC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001304433107 1067511860 /nfs/dbraw/zinc/51/18/60/1067511860.db2.gz CQGDEWUUGMSYQD-JOCHJYFZSA-N 1 0 472.703 3.379 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001304434541 1067513843 /nfs/dbraw/zinc/51/38/43/1067513843.db2.gz WNAOOEDVKHJVAJ-ACRUOGEOSA-N 1 0 459.660 3.339 20 0 JGADRO Cc1ccc(SCc2nnc(N3C[C@]4(CCOC4)OC(C)(C)C3)n2CCOCC[NH+](C)C)cc1 ZINC001304434662 1067513944 /nfs/dbraw/zinc/51/39/44/1067513944.db2.gz OHCASWHFSFNUQA-VWLOTQADSA-N 1 0 489.686 3.231 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001302940248 1067514662 /nfs/dbraw/zinc/51/46/62/1067514662.db2.gz XLBMSFBIQHPFSZ-HXUWFJFHSA-N 1 0 474.675 3.001 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCO2)CC1 ZINC001302941387 1067515436 /nfs/dbraw/zinc/51/54/36/1067515436.db2.gz KUXATFKZHSUCRQ-IBGZPJMESA-N 1 0 459.557 3.281 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001304436859 1067515514 /nfs/dbraw/zinc/51/55/14/1067515514.db2.gz HWFUOEJTXWFRNX-NTKDMRAZSA-N 1 0 456.660 3.326 20 0 JGADRO FC(F)(F)OCCCn1c(-c2cccnc2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001302942617 1067516029 /nfs/dbraw/zinc/51/60/29/1067516029.db2.gz CXJKEZRDDULREU-UHFFFAOYSA-N 1 0 476.503 3.468 20 0 JGADRO FC(F)(F)SCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001302943232 1067516420 /nfs/dbraw/zinc/51/64/20/1067516420.db2.gz LJVPZPOZNZKECL-GOSISDBHSA-N 1 0 455.550 3.400 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001304437451 1067516863 /nfs/dbraw/zinc/51/68/63/1067516863.db2.gz PZQYHLMJZZYVCU-HXUWFJFHSA-N 1 0 456.660 3.183 20 0 JGADRO FC(F)C(F)(F)COCCn1c(-c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001302945892 1067519144 /nfs/dbraw/zinc/51/91/44/1067519144.db2.gz VWELRNWXYIZGNH-UHFFFAOYSA-N 1 0 471.499 3.163 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304438919 1067519336 /nfs/dbraw/zinc/51/93/36/1067519336.db2.gz RBELUJGRTYQDFX-GIWBLDEGSA-N 1 0 473.687 3.443 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001302946649 1067519986 /nfs/dbraw/zinc/51/99/86/1067519986.db2.gz QAUMKYYLTNPPPM-WIOPSUGQSA-N 1 0 481.689 3.090 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001302948900 1067522445 /nfs/dbraw/zinc/52/24/45/1067522445.db2.gz VRBPWXFUWBUAGB-GMAHTHKFSA-N 1 0 452.647 3.446 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc([C@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001304442662 1067524104 /nfs/dbraw/zinc/52/41/04/1067524104.db2.gz FYRMHVCIGVNIOO-QHCPKHFHSA-N 1 0 482.673 3.421 20 0 JGADRO Cc1cccc(C(=O)NCCn2c(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)c1 ZINC001304442701 1067524283 /nfs/dbraw/zinc/52/42/83/1067524283.db2.gz MBUUUSNZCHASMY-FQEVSTJZSA-N 1 0 468.646 3.004 20 0 JGADRO Cc1cccc(C(=O)NCCn2c(Cc3ccsc3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001304444026 1067526117 /nfs/dbraw/zinc/52/61/17/1067526117.db2.gz ZYDUTVSYGNGFLM-UHFFFAOYSA-N 1 0 466.655 3.447 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)n1CCC[N@H+](C)C(C)C ZINC001302956387 1067528010 /nfs/dbraw/zinc/52/80/10/1067528010.db2.gz GURPJIRMQVSWDQ-DEOSSOPVSA-N 1 0 481.689 3.134 20 0 JGADRO Cc1cccc(C)c1NC(=O)Cn1c(C(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001304447518 1067528755 /nfs/dbraw/zinc/52/87/55/1067528755.db2.gz PVFQCLIMWDMSEB-NRFANRHFSA-N 1 0 454.619 3.206 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302957501 1067528976 /nfs/dbraw/zinc/52/89/76/1067528976.db2.gz QNPDBKSTFKAHKJ-FPOVZHCZSA-N 1 0 486.627 3.440 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCS(=O)(=O)c1ccccc1 ZINC001302957902 1067529460 /nfs/dbraw/zinc/52/94/60/1067529460.db2.gz XLBFCNVFTASQGF-FQEVSTJZSA-N 1 0 459.660 3.261 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302958735 1067530134 /nfs/dbraw/zinc/53/01/34/1067530134.db2.gz HZRWELDVIPOWGF-UHFFFAOYSA-N 1 0 495.716 3.180 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302958952 1067530791 /nfs/dbraw/zinc/53/07/91/1067530791.db2.gz LHPRISDOWQHURP-XZOQPEGZSA-N 1 0 487.737 3.168 20 0 JGADRO Fc1cc(Cl)ccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[NH+]1CCSCC1 ZINC001302960271 1067531755 /nfs/dbraw/zinc/53/17/55/1067531755.db2.gz CZEGNADKZVBTAK-UHFFFAOYSA-N 1 0 492.974 3.471 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001304453359 1067534353 /nfs/dbraw/zinc/53/43/53/1067534353.db2.gz NTROKRHYGWRADS-INIZCTEOSA-N 1 0 469.540 3.484 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304453473 1067534863 /nfs/dbraw/zinc/53/48/63/1067534863.db2.gz YVAJKXXZFREDRF-RBBKRZOGSA-N 1 0 482.654 3.182 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CCCC[NH+]2CCOCC2)n1 ZINC001304453618 1067535195 /nfs/dbraw/zinc/53/51/95/1067535195.db2.gz SGFULWIVOBALLZ-UHFFFAOYSA-N 1 0 498.031 3.489 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302964969 1067535388 /nfs/dbraw/zinc/53/53/88/1067535388.db2.gz LUAZFRGNMJKZKB-SFHVURJKSA-N 1 0 467.536 3.424 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC[C@H]1CCCCO1 ZINC001302965348 1067535440 /nfs/dbraw/zinc/53/54/40/1067535440.db2.gz RHGPQJQNRGKXOY-RPWUZVMVSA-N 1 0 476.710 3.057 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CCOc3ccccc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302965456 1067535833 /nfs/dbraw/zinc/53/58/33/1067535833.db2.gz DNXWIODJRLIMHJ-UHFFFAOYSA-N 1 0 454.663 3.410 20 0 JGADRO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001302966284 1067536241 /nfs/dbraw/zinc/53/62/41/1067536241.db2.gz PSWNMEGRDORGAN-IPJJNNNSSA-N 1 0 494.731 3.091 20 0 JGADRO Cc1ncc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC001304457017 1067537390 /nfs/dbraw/zinc/53/73/90/1067537390.db2.gz RYTYQWBJFBAISQ-IBGZPJMESA-N 1 0 455.632 3.407 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC001304459055 1067538670 /nfs/dbraw/zinc/53/86/70/1067538670.db2.gz CFIGKCCJGDVADZ-OAQYLSRUSA-N 1 0 474.675 3.317 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001302971503 1067539833 /nfs/dbraw/zinc/53/98/33/1067539833.db2.gz FBLSRXRXCFHUTE-XXBNENTESA-N 1 0 457.648 3.327 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302971675 1067539865 /nfs/dbraw/zinc/53/98/65/1067539865.db2.gz GMWAJCAJGNRMAW-CPJSRVTESA-N 1 0 462.683 3.061 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302974566 1067541281 /nfs/dbraw/zinc/54/12/81/1067541281.db2.gz FYCXJOCMBQDVIJ-HSALFYBXSA-N 1 0 475.638 3.060 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001304463002 1067541449 /nfs/dbraw/zinc/54/14/49/1067541449.db2.gz DDOLNNAMQSFORG-GOSISDBHSA-N 1 0 450.509 3.337 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302975452 1067541603 /nfs/dbraw/zinc/54/16/03/1067541603.db2.gz KJQHJIFHUMBCIN-ZDXQCDESSA-N 1 0 455.647 3.424 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H](N4CCOCC4)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304464097 1067542096 /nfs/dbraw/zinc/54/20/96/1067542096.db2.gz JAKPATVYWJJIRF-QPPBQGQZSA-N 1 0 469.678 3.314 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)NCC(F)(F)F)CC3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001304464394 1067542464 /nfs/dbraw/zinc/54/24/64/1067542464.db2.gz GEBPPBQDYQQGSJ-INIZCTEOSA-N 1 0 479.551 3.026 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001304465971 1067544363 /nfs/dbraw/zinc/54/43/63/1067544363.db2.gz QVFKTAJBSYZUGZ-GOSISDBHSA-N 1 0 493.578 3.418 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304466593 1067545372 /nfs/dbraw/zinc/54/53/72/1067545372.db2.gz ZWYUOCRFGBDEOM-HXUWFJFHSA-N 1 0 453.635 3.216 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001304466591 1067545409 /nfs/dbraw/zinc/54/54/09/1067545409.db2.gz ZWYUOCRFGBDEOM-FQEVSTJZSA-N 1 0 453.635 3.216 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001304467982 1067546596 /nfs/dbraw/zinc/54/65/96/1067546596.db2.gz MNXFAHCPKYHUAA-GBXCKJPGSA-N 1 0 468.005 3.307 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001302984911 1067547859 /nfs/dbraw/zinc/54/78/59/1067547859.db2.gz FUXXVMGTAZALRP-ZCNNSNEGSA-N 1 0 478.682 3.468 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)n1 ZINC001304469103 1067547953 /nfs/dbraw/zinc/54/79/53/1067547953.db2.gz LLNUEOCFRCJGQU-UHFFFAOYSA-N 1 0 469.634 3.482 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC001304469859 1067549284 /nfs/dbraw/zinc/54/92/84/1067549284.db2.gz ZZNXLRWUSGAEBR-AREMUKBSSA-N 1 0 461.614 3.239 20 0 JGADRO CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302988097 1067549647 /nfs/dbraw/zinc/54/96/47/1067549647.db2.gz XNLLZOZKGVEKMV-RTFZILSDSA-N 1 0 464.680 3.017 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001304472305 1067550531 /nfs/dbraw/zinc/55/05/31/1067550531.db2.gz MJOBVCRMFYGSEO-SIKLNZKXSA-N 1 0 453.635 3.251 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304472286 1067550547 /nfs/dbraw/zinc/55/05/47/1067550547.db2.gz MDHIWSKBUGQWRU-LEWJYISDSA-N 1 0 455.651 3.366 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001304472917 1067551179 /nfs/dbraw/zinc/55/11/79/1067551179.db2.gz AJGONGYQSRLDDC-YADHBBJMSA-N 1 0 453.635 3.216 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304474821 1067552614 /nfs/dbraw/zinc/55/26/14/1067552614.db2.gz LSIVCWFTLWYFHL-GGAORHGYSA-N 1 0 456.635 3.257 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304475137 1067553292 /nfs/dbraw/zinc/55/32/92/1067553292.db2.gz ZPVKHKVMUQIVIY-RTWAWAEBSA-N 1 0 453.635 3.121 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001304476150 1067554385 /nfs/dbraw/zinc/55/43/85/1067554385.db2.gz SLDGQBZOIGMTQA-OAQYLSRUSA-N 1 0 474.675 3.317 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(c4cccc(F)c4)C(=O)C3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304476992 1067554882 /nfs/dbraw/zinc/55/48/82/1067554882.db2.gz LNOZNXKUMIMMEB-UHFFFAOYSA-N 1 0 465.577 3.229 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304477635 1067555759 /nfs/dbraw/zinc/55/57/59/1067555759.db2.gz RMFUDROMPWDIOR-UHFFFAOYSA-N 1 0 455.010 3.364 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001304477815 1067556080 /nfs/dbraw/zinc/55/60/80/1067556080.db2.gz DEZMWFVFIBYBSZ-QFBILLFUSA-N 1 0 451.541 3.062 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCCOC(F)(F)F)n1 ZINC001304478092 1067556410 /nfs/dbraw/zinc/55/64/10/1067556410.db2.gz QTWFHYSXKATZMF-GOSISDBHSA-N 1 0 468.524 3.124 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2C[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001304478178 1067556650 /nfs/dbraw/zinc/55/66/50/1067556650.db2.gz GAMZJZWJUVVOBI-UXHICEINSA-N 1 0 499.660 3.251 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001304478224 1067556695 /nfs/dbraw/zinc/55/66/95/1067556695.db2.gz UIDOMSGACHZBCM-CTNGQTDRSA-N 1 0 499.660 3.062 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCN2CCOCC2(C)C)n1 ZINC001304478713 1067557714 /nfs/dbraw/zinc/55/77/14/1067557714.db2.gz HAJMCVDJMZDFAT-UHFFFAOYSA-N 1 0 455.651 3.070 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304480684 1067560058 /nfs/dbraw/zinc/56/00/58/1067560058.db2.gz RPJQDFLRVQEPOQ-UHFFFAOYSA-N 1 0 465.568 3.455 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001303002775 1067560377 /nfs/dbraw/zinc/56/03/77/1067560377.db2.gz HAEOLMLCHARMEU-BAWHURIHSA-N 1 0 462.683 3.304 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2CC[NH+](C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303020720 1067572755 /nfs/dbraw/zinc/57/27/55/1067572755.db2.gz FXRNVBZCOSDWPQ-BJKOFHAPSA-N 1 0 451.656 3.036 20 0 JGADRO CC(C)CCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001303021763 1067573889 /nfs/dbraw/zinc/57/38/89/1067573889.db2.gz MAGTUBFJVXHJSX-UHFFFAOYSA-N 1 0 467.662 3.209 20 0 JGADRO Cc1c(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)cnn1C ZINC001304499861 1067574555 /nfs/dbraw/zinc/57/45/55/1067574555.db2.gz GFYLOLYKIFJKEB-DEOSSOPVSA-N 1 0 469.659 3.281 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(N2CC[NH+](C3CCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303023189 1067575595 /nfs/dbraw/zinc/57/55/95/1067575595.db2.gz URXRVIXLTPBBJY-JWQCQUIFSA-N 1 0 463.667 3.180 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303023345 1067575890 /nfs/dbraw/zinc/57/58/90/1067575890.db2.gz WCAJNPSIGVEPDG-HWIPXOPOSA-N 1 0 463.667 3.179 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001304501822 1067576114 /nfs/dbraw/zinc/57/61/14/1067576114.db2.gz AEPIUNWEDVVQFC-NRFANRHFSA-N 1 0 486.661 3.017 20 0 JGADRO CC(C)CCCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001303026654 1067578372 /nfs/dbraw/zinc/57/83/72/1067578372.db2.gz HCAWMMCQHJSTRW-QHCPKHFHSA-N 1 0 455.651 3.008 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C(C)C)N2CCOCC2)c1 ZINC001304506569 1067580270 /nfs/dbraw/zinc/58/02/70/1067580270.db2.gz IAFHXWGSLFAKGF-RUZDIDTESA-N 1 0 484.689 3.489 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)c1 ZINC001304506745 1067580331 /nfs/dbraw/zinc/58/03/31/1067580331.db2.gz MNFDXWNUIXDROH-AREMUKBSSA-N 1 0 468.646 3.200 20 0 JGADRO NC(=O)C[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001303035283 1067581714 /nfs/dbraw/zinc/58/17/14/1067581714.db2.gz CNYOHAVXONQTQV-QGZVFWFLSA-N 1 0 475.435 3.285 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC=C(Br)C3)n2CCOCC[NH+](C)C)c1 ZINC001304509395 1067583807 /nfs/dbraw/zinc/58/38/07/1067583807.db2.gz FESIVMGIZQCBFY-UHFFFAOYSA-N 1 0 464.408 3.233 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304510385 1067585034 /nfs/dbraw/zinc/58/50/34/1067585034.db2.gz NDTQJNXYZCANJS-HXUWFJFHSA-N 1 0 454.619 3.001 20 0 JGADRO CC(C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303040091 1067585271 /nfs/dbraw/zinc/58/52/71/1067585271.db2.gz GIUSDNWPSDUBPK-FQEVSTJZSA-N 1 0 474.675 3.254 20 0 JGADRO NC(=O)CC1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001303040493 1067585524 /nfs/dbraw/zinc/58/55/24/1067585524.db2.gz YRHKVTGSVBFTPZ-LJQANCHMSA-N 1 0 493.027 3.066 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001304510932 1067585846 /nfs/dbraw/zinc/58/58/46/1067585846.db2.gz XVBMTVFDKKNKCN-QFIPXVFZSA-N 1 0 468.646 3.379 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@]2(O)CCO[C@H]2C)c1 ZINC001304511353 1067586784 /nfs/dbraw/zinc/58/67/84/1067586784.db2.gz ACRQOHMVHXJPNJ-HFZDXXHNSA-N 1 0 471.646 3.264 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001304511456 1067587136 /nfs/dbraw/zinc/58/71/36/1067587136.db2.gz CLOXNVRHRHSRDH-REWPJTCUSA-N 1 0 468.646 3.199 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001304511454 1067587225 /nfs/dbraw/zinc/58/72/25/1067587225.db2.gz CLOXNVRHRHSRDH-NZQKXSOJSA-N 1 0 468.646 3.199 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CC(=O)NC2CCCCC2)c1 ZINC001304512386 1067588892 /nfs/dbraw/zinc/58/88/92/1067588892.db2.gz XTMQOFALXWRIBX-UHFFFAOYSA-N 1 0 454.619 3.145 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCOC2CCOCC2)c1 ZINC001304512357 1067588920 /nfs/dbraw/zinc/58/89/20/1067588920.db2.gz XMPXCLOTCXUPIB-UHFFFAOYSA-N 1 0 457.619 3.282 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(c4cccnn4)CC3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001304512671 1067589602 /nfs/dbraw/zinc/58/96/02/1067589602.db2.gz SFZOQBILCSXPKP-UHFFFAOYSA-N 1 0 478.645 3.401 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001303047241 1067589736 /nfs/dbraw/zinc/58/97/36/1067589736.db2.gz IWLGAKCMBUYUJY-LJQANCHMSA-N 1 0 467.618 3.433 20 0 JGADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001304517652 1067593158 /nfs/dbraw/zinc/59/31/58/1067593158.db2.gz CYZJXJAYMWQIET-QHCPKHFHSA-N 1 0 492.672 3.362 20 0 JGADRO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001304519405 1067594855 /nfs/dbraw/zinc/59/48/55/1067594855.db2.gz IIPLMDOHGUWVEX-LEWJYISDSA-N 1 0 456.635 3.279 20 0 JGADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(CC(C)C)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001304520531 1067595922 /nfs/dbraw/zinc/59/59/22/1067595922.db2.gz RLQKWGZNAKWOMQ-UHFFFAOYSA-N 1 0 482.673 3.295 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001304523797 1067597821 /nfs/dbraw/zinc/59/78/21/1067597821.db2.gz BQFVTIYYFMULSU-TZIWHRDSSA-N 1 0 459.660 3.389 20 0 JGADRO Cc1ccccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001304523794 1067597843 /nfs/dbraw/zinc/59/78/43/1067597843.db2.gz BQFVTIYYFMULSU-CTNGQTDRSA-N 1 0 459.660 3.389 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC[NH+]1CCCCC1 ZINC001304530638 1067602269 /nfs/dbraw/zinc/60/22/69/1067602269.db2.gz XZMHNDKDJGWQMJ-SFHVURJKSA-N 1 0 464.536 3.244 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCOCC[NH+](C)C ZINC001304534651 1067605078 /nfs/dbraw/zinc/60/50/78/1067605078.db2.gz JKGATOWPWSMOCK-UHFFFAOYSA-N 1 0 482.654 3.246 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCCOC(C)C ZINC001304534890 1067605440 /nfs/dbraw/zinc/60/54/40/1067605440.db2.gz JQFDVYPPHQIHPD-QHCPKHFHSA-N 1 0 468.646 3.202 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(c3cnn(C)c3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304537178 1067608725 /nfs/dbraw/zinc/60/87/25/1067608725.db2.gz NWEJXJGYGQFZOC-NRFANRHFSA-N 1 0 450.635 3.290 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001304538618 1067610166 /nfs/dbraw/zinc/61/01/66/1067610166.db2.gz ZCCQTPAHALKISN-IBGZPJMESA-N 1 0 480.579 3.437 20 0 JGADRO Cc1ccccc1[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCCCC2)CCO1 ZINC001304541050 1067611368 /nfs/dbraw/zinc/61/13/68/1067611368.db2.gz CESFJENPDMZCLJ-JOCHJYFZSA-N 1 0 454.619 3.179 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001304548184 1067617185 /nfs/dbraw/zinc/61/71/85/1067617185.db2.gz SPVMWUSLJKOKDH-OAQYLSRUSA-N 1 0 459.660 3.065 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001304548183 1067617214 /nfs/dbraw/zinc/61/72/14/1067617214.db2.gz SPVMWUSLJKOKDH-NRFANRHFSA-N 1 0 459.660 3.065 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304549264 1067618515 /nfs/dbraw/zinc/61/85/15/1067618515.db2.gz INELUIPWQUSPJF-DNVJHFABSA-N 1 0 452.647 3.401 20 0 JGADRO CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001303085956 1067619070 /nfs/dbraw/zinc/61/90/70/1067619070.db2.gz BXTYLWNMZGTLGJ-PCCBWWKXSA-N 1 0 476.666 3.253 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001304550393 1067619646 /nfs/dbraw/zinc/61/96/46/1067619646.db2.gz IWBUTTOYOJLVER-GJZUVCINSA-N 1 0 452.647 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001304550532 1067620146 /nfs/dbraw/zinc/62/01/46/1067620146.db2.gz XTMUOCBKZVLYPB-ICSRJNTNSA-N 1 0 452.628 3.209 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C(N)=O)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304551958 1067621400 /nfs/dbraw/zinc/62/14/00/1067621400.db2.gz PGQNESKFHPBNIN-AFMDSPMNSA-N 1 0 452.647 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304553565 1067622840 /nfs/dbraw/zinc/62/28/40/1067622840.db2.gz PTHIHAPAXWSBEO-UHFFFAOYSA-N 1 0 496.700 3.371 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001304553374 1067622862 /nfs/dbraw/zinc/62/28/62/1067622862.db2.gz PNTVXRFZBBNBQH-JOCHJYFZSA-N 1 0 473.687 3.455 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCCC2(C)C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304556325 1067625190 /nfs/dbraw/zinc/62/51/90/1067625190.db2.gz JFLRYLJHGCPNDB-QFIPXVFZSA-N 1 0 452.647 3.499 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556777 1067625673 /nfs/dbraw/zinc/62/56/73/1067625673.db2.gz NUXKCQTYTMZACL-YADHBBJMSA-N 1 0 473.687 3.313 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001304557224 1067625967 /nfs/dbraw/zinc/62/59/67/1067625967.db2.gz RJLLXBYVIMVGBD-RUZDIDTESA-N 1 0 496.700 3.229 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001304558198 1067626773 /nfs/dbraw/zinc/62/67/73/1067626773.db2.gz WWWHFSFQKZFRRO-IFMALSPDSA-N 1 0 452.647 3.390 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001304558199 1067626813 /nfs/dbraw/zinc/62/68/13/1067626813.db2.gz WWWHFSFQKZFRRO-IRLDBZIGSA-N 1 0 452.647 3.390 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3sccc3C2)CC1 ZINC001303090567 1067627062 /nfs/dbraw/zinc/62/70/62/1067627062.db2.gz XOTITJOREPRPCY-SFHVURJKSA-N 1 0 494.731 3.271 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)CC1 ZINC001303091145 1067627771 /nfs/dbraw/zinc/62/77/71/1067627771.db2.gz NTHJUKGWOUUDDI-NRFANRHFSA-N 1 0 451.681 3.319 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(N3CC[C@@H](C)[C@@H](O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001303091219 1067628113 /nfs/dbraw/zinc/62/81/13/1067628113.db2.gz PZYGQHOYLUQUPL-JJTGBXKASA-N 1 0 477.694 3.284 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(c3cnccn3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304559310 1067628251 /nfs/dbraw/zinc/62/82/51/1067628251.db2.gz JEYTZACCSHEMTI-HSZRJFAPSA-N 1 0 462.646 3.270 20 0 JGADRO O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001303094608 1067631438 /nfs/dbraw/zinc/63/14/38/1067631438.db2.gz HVUJKNKRAXPYMY-QHCPKHFHSA-N 1 0 451.567 3.103 20 0 JGADRO Cc1ccccc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304567265 1067635416 /nfs/dbraw/zinc/63/54/16/1067635416.db2.gz GIYBVZGTALRINF-TXTKFYIRSA-N 1 0 473.687 3.493 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001303099809 1067637817 /nfs/dbraw/zinc/63/78/17/1067637817.db2.gz AVHZQYIUHRUINB-OAQYLSRUSA-N 1 0 478.645 3.437 20 0 JGADRO Cc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304570217 1067638418 /nfs/dbraw/zinc/63/84/18/1067638418.db2.gz AYGBYAZUFQPZMP-QHCPKHFHSA-N 1 0 481.689 3.153 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001304571030 1067639034 /nfs/dbraw/zinc/63/90/34/1067639034.db2.gz VFLHBXBWALRFBU-UHFFFAOYSA-N 1 0 461.614 3.133 20 0 JGADRO Cc1cscc1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001304571005 1067639066 /nfs/dbraw/zinc/63/90/66/1067639066.db2.gz UNHFKXQQALZPAR-UHFFFAOYSA-N 1 0 452.628 3.465 20 0 JGADRO O=C1CCCN1Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1CCCCC[NH+]1CCCC1 ZINC001303106365 1067644052 /nfs/dbraw/zinc/64/40/52/1067644052.db2.gz OYVOQYORVVPRSK-UHFFFAOYSA-N 1 0 454.541 3.365 20 0 JGADRO Cc1ccccc1O[C@H](C)Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C ZINC001304575275 1067644264 /nfs/dbraw/zinc/64/42/64/1067644264.db2.gz YUQSZCNTKFQEQR-RTWAWAEBSA-N 1 0 468.646 3.094 20 0 JGADRO Cc1ccccc1OCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001304577850 1067646077 /nfs/dbraw/zinc/64/60/77/1067646077.db2.gz PARVDKUPNALVNJ-NHCUHLMSSA-N 1 0 454.619 3.173 20 0 JGADRO CC(C)CCOC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001303108910 1067646408 /nfs/dbraw/zinc/64/64/08/1067646408.db2.gz AZUCHPAHLVODDX-FYYLOGMGSA-N 1 0 463.667 3.170 20 0 JGADRO CC(C)CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001303110314 1067648554 /nfs/dbraw/zinc/64/85/54/1067648554.db2.gz PTFUMDUPGSKZGP-NRFANRHFSA-N 1 0 481.707 3.088 20 0 JGADRO CC1=CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001304584153 1067653151 /nfs/dbraw/zinc/65/31/51/1067653151.db2.gz JGDALRZBDJTGRX-QHCPKHFHSA-N 1 0 475.062 3.455 20 0 JGADRO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccccc3)[NH+](C)C)C2)c1 ZINC001304598793 1067662191 /nfs/dbraw/zinc/66/21/91/1067662191.db2.gz HYXXUJTXSCBFDO-FCHUYYIVSA-N 1 0 464.618 3.066 20 0 JGADRO CC(C)CCOCCn1c([C@H]2CCCO2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001303122957 1067663473 /nfs/dbraw/zinc/66/34/73/1067663473.db2.gz BQQMXOONRVGNIQ-HSZRJFAPSA-N 1 0 462.683 3.187 20 0 JGADRO Cc1cnn(C[C@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)C[NH+]3CCCC3)CCO2)c1 ZINC001304600968 1067664943 /nfs/dbraw/zinc/66/49/43/1067664943.db2.gz FPNLNXCYCOTDNQ-OAQYLSRUSA-N 1 0 457.667 3.399 20 0 JGADRO Cc1cnn(CC2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCC(O)CC3)CC2)c1 ZINC001304601221 1067665825 /nfs/dbraw/zinc/66/58/25/1067665825.db2.gz VAWTYIVVXJRIII-UHFFFAOYSA-N 1 0 457.667 3.135 20 0 JGADRO Cc1cnn(C[C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CCO2)c1 ZINC001304603601 1067669087 /nfs/dbraw/zinc/66/90/87/1067669087.db2.gz SMBKOTUVOUMPJI-WOJBJXKFSA-N 1 0 457.648 3.350 20 0 JGADRO Cc1cnc([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001304609403 1067676868 /nfs/dbraw/zinc/67/68/68/1067676868.db2.gz ISANDAVLZMHFOJ-WMZOPIPTSA-N 1 0 459.664 3.356 20 0 JGADRO OC[C@@H]1CCC[N@@H+]1CCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303143178 1067681774 /nfs/dbraw/zinc/68/17/74/1067681774.db2.gz ATNRCNPMWHOUHM-RBUKOAKNSA-N 1 0 459.557 3.015 20 0 JGADRO OC1CC[NH+](CCCn2c(CCc3ccccc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001303144609 1067683874 /nfs/dbraw/zinc/68/38/74/1067683874.db2.gz WTXVMLOWSJFUMQ-QFIPXVFZSA-N 1 0 495.590 3.458 20 0 JGADRO Cc1coc(C)c1Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304616480 1067684469 /nfs/dbraw/zinc/68/44/69/1067684469.db2.gz KPFYXGRILDDDCS-GOSISDBHSA-N 1 0 471.524 3.131 20 0 JGADRO CC(C)CN(c1nnc(C(=O)Nc2ccccn2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)C(C)C ZINC001303146227 1067684882 /nfs/dbraw/zinc/68/48/82/1067684882.db2.gz BXILSSNCWRXKSS-FQEVSTJZSA-N 1 0 457.623 3.297 20 0 JGADRO Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCCC3)C2)n1 ZINC001304619462 1067687928 /nfs/dbraw/zinc/68/79/28/1067687928.db2.gz NTSLWPSUDXOZNR-PKOBYXMFSA-N 1 0 459.664 3.297 20 0 JGADRO OCCC[N@@H+]1CCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)F)C1 ZINC001303152895 1067689593 /nfs/dbraw/zinc/68/95/93/1067689593.db2.gz IORGHCTUPHCULI-DLBZAZTESA-N 1 0 469.527 3.475 20 0 JGADRO Cc1csc([C@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCC[NH+](C(C)C)C(C)C)CCO2)n1 ZINC001304625787 1067695976 /nfs/dbraw/zinc/69/59/76/1067695976.db2.gz UDDCYEVGNKEWSF-RTBURBONSA-N 1 0 475.663 3.081 20 0 JGADRO Cc1csc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001304629281 1067699876 /nfs/dbraw/zinc/69/98/76/1067699876.db2.gz BFKHDSUYIIPUAU-YTQUADARSA-N 1 0 465.689 3.307 20 0 JGADRO Cc1csc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[NH+](CC(C)C)CC2)n1 ZINC001304629940 1067700685 /nfs/dbraw/zinc/70/06/85/1067700685.db2.gz QLXPUPSZYIDEOM-UHFFFAOYSA-N 1 0 488.061 3.453 20 0 JGADRO Cc1csc(Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC001304632123 1067701942 /nfs/dbraw/zinc/70/19/42/1067701942.db2.gz ODZSINVKFXXNHE-UHFFFAOYSA-N 1 0 495.575 3.168 20 0 JGADRO CC(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001303166499 1067701988 /nfs/dbraw/zinc/70/19/88/1067701988.db2.gz FAOXRAXCVKAIDJ-UHFFFAOYSA-N 1 0 451.619 3.406 20 0 JGADRO Cc1csc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCOCC[NH+](C)C)CC2)n1 ZINC001304634652 1067703610 /nfs/dbraw/zinc/70/36/10/1067703610.db2.gz GNBNJCWBWSMQII-UHFFFAOYSA-N 1 0 490.077 3.192 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001303172259 1067704916 /nfs/dbraw/zinc/70/49/16/1067704916.db2.gz DBCGIEGTVAOVPH-OAQYLSRUSA-N 1 0 467.662 3.449 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)C1 ZINC001303172160 1067704999 /nfs/dbraw/zinc/70/49/99/1067704999.db2.gz BAOBZXZJVHFGAQ-VQTJNVASSA-N 1 0 466.696 3.027 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@H](C)C2)C1 ZINC001303173543 1067707432 /nfs/dbraw/zinc/70/74/32/1067707432.db2.gz RZNDTWABFRWKNR-NHCUHLMSSA-N 1 0 488.702 3.410 20 0 JGADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001303174011 1067707574 /nfs/dbraw/zinc/70/75/74/1067707574.db2.gz VHDKIWSQIYLBRX-OAQYLSRUSA-N 1 0 461.614 3.443 20 0 JGADRO 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CC(C)[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001303262916 1067790409 /nfs/dbraw/zinc/79/04/09/1067790409.db2.gz IQYRARDSXVFQHC-UHFFFAOYSA-N 1 0 495.647 3.434 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001303263631 1067790568 /nfs/dbraw/zinc/79/05/68/1067790568.db2.gz QHDHSEBDKGGRLO-UHFFFAOYSA-N 1 0 489.064 3.404 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001303263847 1067791251 /nfs/dbraw/zinc/79/12/51/1067791251.db2.gz HCZPJMPIDHLFAM-XMMPIXPASA-N 1 0 451.575 3.032 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001303264470 1067791460 /nfs/dbraw/zinc/79/14/60/1067791460.db2.gz BVHKNTOWXUIVFX-PMACEKPBSA-N 1 0 464.655 3.348 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001303265037 1067792213 /nfs/dbraw/zinc/79/22/13/1067792213.db2.gz FHWQDVQFOKGMEM-JOCHJYFZSA-N 1 0 472.609 3.238 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001303265175 1067792394 /nfs/dbraw/zinc/79/23/94/1067792394.db2.gz NVCKBQCALYMOPH-UHFFFAOYSA-N 1 0 481.645 3.316 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001303265464 1067792808 /nfs/dbraw/zinc/79/28/08/1067792808.db2.gz KAOPPIHKINQWNL-RUZDIDTESA-N 1 0 487.599 3.363 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CC(F)C1 ZINC001303265447 1067792883 /nfs/dbraw/zinc/79/28/83/1067792883.db2.gz JIDOTNBCQLAJEE-UHFFFAOYSA-N 1 0 458.630 3.367 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001303266298 1067793233 /nfs/dbraw/zinc/79/32/33/1067793233.db2.gz YRIGUICHZFYTKC-PMACEKPBSA-N 1 0 479.000 3.330 20 0 JGADRO Cc1nn(C)c(C)c1Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304723718 1067795367 /nfs/dbraw/zinc/79/53/67/1067795367.db2.gz RPUCKWXIDQUVRX-FQEVSTJZSA-N 1 0 499.582 3.009 20 0 JGADRO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC001303268029 1067795277 /nfs/dbraw/zinc/79/52/77/1067795277.db2.gz HAQACTKQFZEWOW-JOCHJYFZSA-N 1 0 457.615 3.500 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001303268511 1067796413 /nfs/dbraw/zinc/79/64/13/1067796413.db2.gz PUFGBPZUEXDAKY-NRFANRHFSA-N 1 0 471.650 3.488 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001304725034 1067796907 /nfs/dbraw/zinc/79/69/07/1067796907.db2.gz FSUUTUQDOMJQOP-NRFANRHFSA-N 1 0 458.699 3.224 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2ccccc2)C1 ZINC001303269492 1067798215 /nfs/dbraw/zinc/79/82/15/1067798215.db2.gz ZXRASDIIYKUBTA-QFIPXVFZSA-N 1 0 476.629 3.371 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(Cn2cccn2)CC1 ZINC001303269494 1067798389 /nfs/dbraw/zinc/79/83/89/1067798389.db2.gz ZYKAAONTRGYIBN-UHFFFAOYSA-N 1 0 499.063 3.315 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cn2ccc3ccccc32)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303269373 1067798415 /nfs/dbraw/zinc/79/84/15/1067798415.db2.gz ZCGDPIHSOMNFOE-JOCHJYFZSA-N 1 0 486.686 3.415 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[NH+](C)C)CC1 ZINC001304726131 1067798783 /nfs/dbraw/zinc/79/87/83/1067798783.db2.gz VPXDUJOUKNQQDP-RXVVDRJESA-N 1 0 498.651 3.180 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303269802 1067798878 /nfs/dbraw/zinc/79/88/78/1067798878.db2.gz BATKMRQXPQRGOF-UHFFFAOYSA-N 1 0 464.014 3.391 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001303271767 1067800458 /nfs/dbraw/zinc/80/04/58/1067800458.db2.gz UOVYALVLIBDAAU-RTBURBONSA-N 1 0 475.435 3.295 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001303272037 1067801173 /nfs/dbraw/zinc/80/11/73/1067801173.db2.gz XTCKYHWZJKCPNT-QZTJIDSGSA-N 1 0 460.648 3.035 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC001303275093 1067802332 /nfs/dbraw/zinc/80/23/32/1067802332.db2.gz RXCWXDBRFANWAS-RTWAWAEBSA-N 1 0 476.691 3.431 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001303275075 1067802381 /nfs/dbraw/zinc/80/23/81/1067802381.db2.gz RNOYHRUHLWZVCS-GOSISDBHSA-N 1 0 461.680 3.451 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001303275442 1067802800 /nfs/dbraw/zinc/80/28/00/1067802800.db2.gz WUCQJEGXJYFJAD-HXUWFJFHSA-N 1 0 461.973 3.389 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001303275358 1067802844 /nfs/dbraw/zinc/80/28/44/1067802844.db2.gz BBYPJHJFAZQGMQ-UHFFFAOYSA-N 1 0 462.589 3.448 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001303276132 1067803969 /nfs/dbraw/zinc/80/39/69/1067803969.db2.gz JQVZTWMYZBYVHW-OAQYLSRUSA-N 1 0 475.037 3.476 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001303277317 1067805268 /nfs/dbraw/zinc/80/52/68/1067805268.db2.gz OZRUVHJNGMWUPK-QFIPXVFZSA-N 1 0 461.614 3.093 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2)n1 ZINC001304732606 1067806178 /nfs/dbraw/zinc/80/61/78/1067806178.db2.gz IAKCQRMBIZHKKZ-DBXWQHBBSA-N 1 0 458.655 3.339 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001303278492 1067806384 /nfs/dbraw/zinc/80/63/84/1067806384.db2.gz GLOHERKKQIQLGF-UHFFFAOYSA-N 1 0 481.428 3.315 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001303278423 1067806563 /nfs/dbraw/zinc/80/65/63/1067806563.db2.gz DCBTYMBVWUJQCC-UXHICEINSA-N 1 0 474.675 3.253 20 0 JGADRO Cc1cc(C)n(-c2ccccc2Cn2c(C(=O)NC(C)C)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001304733453 1067806727 /nfs/dbraw/zinc/80/67/27/1067806727.db2.gz YVMNHVBJIQWEAQ-UHFFFAOYSA-N 1 0 478.645 3.234 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001303278558 1067807100 /nfs/dbraw/zinc/80/71/00/1067807100.db2.gz JDLCBHLKKIFYDL-OAHLLOKOSA-N 1 0 469.417 3.171 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001303278703 1067808085 /nfs/dbraw/zinc/80/80/85/1067808085.db2.gz NNCKPTKKASTGJW-JOCHJYFZSA-N 1 0 484.428 3.500 20 0 JGADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+](C)Cc3ccc(F)cc3)C2)n1 ZINC001304735729 1067809844 /nfs/dbraw/zinc/80/98/44/1067809844.db2.gz ZUORPYUIHRGBDP-QHCPKHFHSA-N 1 0 496.635 3.342 20 0 JGADRO CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccs2)CC1)C(C)C ZINC001303290750 1067814966 /nfs/dbraw/zinc/81/49/66/1067814966.db2.gz APLRXMGBLCMQLZ-UHFFFAOYSA-N 1 0 473.691 3.411 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)C(C)C ZINC001303290781 1067814985 /nfs/dbraw/zinc/81/49/85/1067814985.db2.gz BVUDMXRXJIQUBK-FQEVSTJZSA-N 1 0 455.651 3.288 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC(C)(C)[C@@H]1C)C(C)C ZINC001303290830 1067815045 /nfs/dbraw/zinc/81/50/45/1067815045.db2.gz DXSXKUQIKGGYMM-FQEVSTJZSA-N 1 0 481.649 3.433 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)C(C)C ZINC001303291384 1067815720 /nfs/dbraw/zinc/81/57/20/1067815720.db2.gz HPQCPOMMIONEPE-QZTJIDSGSA-N 1 0 474.572 3.286 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C ZINC001303291333 1067815749 /nfs/dbraw/zinc/81/57/49/1067815749.db2.gz OQQDBAPHYZFYQJ-QHCPKHFHSA-N 1 0 486.636 3.421 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCCN(c4cccnn4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304740702 1067815870 /nfs/dbraw/zinc/81/58/70/1067815870.db2.gz QZBYPCHNOXNIDY-PKTZIBPZSA-N 1 0 494.692 3.011 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2CCNC(=O)C(C)C)n1 ZINC001304740704 1067815889 /nfs/dbraw/zinc/81/58/89/1067815889.db2.gz RBXSVINUXAHRBN-DEOSSOPVSA-N 1 0 492.672 3.013 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C)C(=O)C1)C(C)C ZINC001303291533 1067816192 /nfs/dbraw/zinc/81/61/92/1067816192.db2.gz RYHALVLVNHASGL-UHFFFAOYSA-N 1 0 451.619 3.224 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1)C(C)C ZINC001303291782 1067816498 /nfs/dbraw/zinc/81/64/98/1067816498.db2.gz NOFSHZMNJUYCQB-YADHBBJMSA-N 1 0 460.667 3.272 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)C(C)C ZINC001303291703 1067816614 /nfs/dbraw/zinc/81/66/14/1067816614.db2.gz VXGZJYUVLXWZSS-QFIPXVFZSA-N 1 0 453.635 3.494 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C ZINC001303291647 1067816714 /nfs/dbraw/zinc/81/67/14/1067816714.db2.gz SQVNWRMNQWOFDM-HXUWFJFHSA-N 1 0 462.042 3.023 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(O)cc2)CC1)C(C)C ZINC001303292078 1067816995 /nfs/dbraw/zinc/81/69/95/1067816995.db2.gz TUAIWTHNMRTNJC-UHFFFAOYSA-N 1 0 464.618 3.276 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001303291917 1067817197 /nfs/dbraw/zinc/81/71/97/1067817197.db2.gz PCHKGPJZNSAPCQ-LEWJYISDSA-N 1 0 469.696 3.085 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001304741283 1067817143 /nfs/dbraw/zinc/81/71/43/1067817143.db2.gz GZYQZYCNRMEUGD-RTBURBONSA-N 1 0 486.690 3.429 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCCC2)CC1)C(C)C ZINC001303292166 1067817463 /nfs/dbraw/zinc/81/74/63/1067817463.db2.gz VXJNMQYOUITICT-UHFFFAOYSA-N 1 0 482.677 3.111 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)C(C)C ZINC001303292137 1067817529 /nfs/dbraw/zinc/81/75/29/1067817529.db2.gz VBFWWWLKTBYOLI-SQJMNOBHSA-N 1 0 456.635 3.157 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001304741431 1067817840 /nfs/dbraw/zinc/81/78/40/1067817840.db2.gz VXEVESKKAHANAP-SIKLNZKXSA-N 1 0 456.683 3.181 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1)C(C)C ZINC001303292371 1067817901 /nfs/dbraw/zinc/81/79/01/1067817901.db2.gz YHXTXTNOVUKOOY-FCHUYYIVSA-N 1 0 472.609 3.455 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001304741432 1067817932 /nfs/dbraw/zinc/81/79/32/1067817932.db2.gz VXEVESKKAHANAP-UGKGYDQZSA-N 1 0 456.683 3.181 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001303295321 1067819276 /nfs/dbraw/zinc/81/92/76/1067819276.db2.gz ARPUTYRVSSUYBK-HXUWFJFHSA-N 1 0 470.643 3.235 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)C(C)C ZINC001303295548 1067819672 /nfs/dbraw/zinc/81/96/72/1067819672.db2.gz FAHKVWTXIGBJLE-IBGZPJMESA-N 1 0 457.598 3.243 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001304742898 1067820058 /nfs/dbraw/zinc/82/00/58/1067820058.db2.gz WUZQMTNTDMCOBO-OALUTQOASA-N 1 0 472.663 3.040 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001304743104 1067820393 /nfs/dbraw/zinc/82/03/93/1067820393.db2.gz HITHVVZYMPODJZ-FYYLOGMGSA-N 1 0 451.619 3.133 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001303297213 1067821523 /nfs/dbraw/zinc/82/15/23/1067821523.db2.gz PIRORGZQDYLNLH-NRFANRHFSA-N 1 0 471.650 3.486 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3COc4ccccc4O3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304743680 1067821469 /nfs/dbraw/zinc/82/14/69/1067821469.db2.gz NDRZELJMHVSACB-HXUWFJFHSA-N 1 0 467.618 3.004 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2CC[NH+]2CCSCC2)n1 ZINC001304743913 1067821971 /nfs/dbraw/zinc/82/19/71/1067821971.db2.gz QONQDBSGQDCLSA-UHFFFAOYSA-N 1 0 460.051 3.478 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304744216 1067822636 /nfs/dbraw/zinc/82/26/36/1067822636.db2.gz SLMNQJKAHYGQDE-NRFANRHFSA-N 1 0 473.666 3.095 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001304744514 1067822682 /nfs/dbraw/zinc/82/26/82/1067822682.db2.gz WTXIJFLTHKJVFG-DENIHFKCSA-N 1 0 455.582 3.054 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCCCC[C@H]21)C(C)C ZINC001303298255 1067823266 /nfs/dbraw/zinc/82/32/66/1067823266.db2.gz JVQFWMDYKWHABD-PWRODBHTSA-N 1 0 451.681 3.458 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccn3C)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001303301797 1067825927 /nfs/dbraw/zinc/82/59/27/1067825927.db2.gz QOVKPBSREXOMRR-UHFFFAOYSA-N 1 0 454.541 3.298 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccccc3Br)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001303301787 1067825959 /nfs/dbraw/zinc/82/59/59/1067825959.db2.gz QHAKYIIJZKMVIF-QGZVFWFLSA-N 1 0 478.435 3.168 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCCCCO)CC1 ZINC001303301820 1067825974 /nfs/dbraw/zinc/82/59/74/1067825974.db2.gz RIFXQDRBURPAIP-UHFFFAOYSA-N 1 0 466.630 3.327 20 0 JGADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001303301899 1067826296 /nfs/dbraw/zinc/82/62/96/1067826296.db2.gz USLGEUBRKKPGCT-NRFANRHFSA-N 1 0 472.609 3.019 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001303301993 1067826310 /nfs/dbraw/zinc/82/63/10/1067826310.db2.gz YLGXHWLSLZWKPI-GOSISDBHSA-N 1 0 466.001 3.446 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001303301970 1067826426 /nfs/dbraw/zinc/82/64/26/1067826426.db2.gz XRQQLRJGRPQYPN-UHFFFAOYSA-N 1 0 474.694 3.083 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2F)C1 ZINC001303303162 1067828117 /nfs/dbraw/zinc/82/81/17/1067828117.db2.gz DCEJOPCBGXFKSH-ICSRJNTNSA-N 1 0 458.582 3.004 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303303003 1067828237 /nfs/dbraw/zinc/82/82/37/1067828237.db2.gz QJJRTSQDUKWSCG-ZWKOTPCHSA-N 1 0 456.557 3.413 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)n1 ZINC001304748998 1067828678 /nfs/dbraw/zinc/82/86/78/1067828678.db2.gz CVQMREVOQQUKRY-JOCHJYFZSA-N 1 0 455.651 3.169 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccncc3)nnc2N(C)Cc2cc(Cl)ccn2)CC1 ZINC001303303248 1067828659 /nfs/dbraw/zinc/82/86/59/1067828659.db2.gz SSLLSXMLKAQSGY-UHFFFAOYSA-N 1 0 470.021 3.184 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001303303496 1067829324 /nfs/dbraw/zinc/82/93/24/1067829324.db2.gz WOZBOEDVEFHVIW-ROUUACIJSA-N 1 0 489.462 3.495 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)C(C)C)CC1 ZINC001303303998 1067829753 /nfs/dbraw/zinc/82/97/53/1067829753.db2.gz BVPLKAARYOMQOR-DEOSSOPVSA-N 1 0 477.053 3.189 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303303935 1067830040 /nfs/dbraw/zinc/83/00/40/1067830040.db2.gz AYFOWQVXQRLUQY-LEWJYISDSA-N 1 0 451.681 3.145 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(=O)N(C)c4ccccc4)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304750646 1067830723 /nfs/dbraw/zinc/83/07/23/1067830723.db2.gz WMNUSYDOASIZOO-QHCPKHFHSA-N 1 0 492.672 3.359 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001303304501 1067831153 /nfs/dbraw/zinc/83/11/53/1067831153.db2.gz HSLWCORINAJKIF-SFTDATJTSA-N 1 0 476.666 3.081 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(CCC[NH+]4CCOCC4)CC3)n2CC(F)(F)F)n1 ZINC001304751215 1067831705 /nfs/dbraw/zinc/83/17/05/1067831705.db2.gz IYOIYVIHHHEZFJ-UHFFFAOYSA-N 1 0 469.556 3.031 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001303304715 1067831751 /nfs/dbraw/zinc/83/17/51/1067831751.db2.gz OPWFYCLUGVBBHF-HUUCEWRRSA-N 1 0 485.580 3.461 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001304752027 1067832319 /nfs/dbraw/zinc/83/23/19/1067832319.db2.gz PANDUDJAOMOQSC-UHFFFAOYSA-N 1 0 496.626 3.335 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304752780 1067833002 /nfs/dbraw/zinc/83/30/02/1067833002.db2.gz UJKDFSXHDUEDFY-RBUKOAKNSA-N 1 0 483.583 3.418 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001303305278 1067833154 /nfs/dbraw/zinc/83/31/54/1067833154.db2.gz SLECDIJTWVHKQM-MOPGFXCFSA-N 1 0 467.584 3.477 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCC(F)F)CC1 ZINC001303305469 1067833457 /nfs/dbraw/zinc/83/34/57/1067833457.db2.gz QWZBYCSBQBWTEI-UHFFFAOYSA-N 1 0 484.979 3.064 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001303305454 1067833552 /nfs/dbraw/zinc/83/35/52/1067833552.db2.gz QMOCJTKPTWLLJW-RTBURBONSA-N 1 0 486.583 3.145 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001303306019 1067834204 /nfs/dbraw/zinc/83/42/04/1067834204.db2.gz YJTAMLBNMAAJIL-UHFFFAOYSA-N 1 0 478.439 3.002 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncc(F)cn3)CC2)C1 ZINC001303305799 1067834269 /nfs/dbraw/zinc/83/42/69/1067834269.db2.gz WFBSWUWGELNZNW-IBGZPJMESA-N 1 0 458.630 3.243 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001304753727 1067834751 /nfs/dbraw/zinc/83/47/51/1067834751.db2.gz FZDLZUKNWLSEPF-SFHVURJKSA-N 1 0 482.460 3.276 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001303307924 1067835609 /nfs/dbraw/zinc/83/56/09/1067835609.db2.gz MTVVGZWGLPKCFG-UHFFFAOYSA-N 1 0 488.608 3.298 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCc2ccco2)CC1 ZINC001303308007 1067836049 /nfs/dbraw/zinc/83/60/49/1067836049.db2.gz NGZBDYFLGPOKLY-UHFFFAOYSA-N 1 0 456.978 3.428 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccs2)CC1 ZINC001303308477 1067837250 /nfs/dbraw/zinc/83/72/50/1067837250.db2.gz YCBAJNNUXMXESY-UHFFFAOYSA-N 1 0 459.641 3.379 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2cccc(N(C)C)c2)n1 ZINC001304755004 1067837390 /nfs/dbraw/zinc/83/73/90/1067837390.db2.gz VAONYWZKKTVPSJ-UHFFFAOYSA-N 1 0 450.635 3.221 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304755095 1067837596 /nfs/dbraw/zinc/83/75/96/1067837596.db2.gz VMWMPGSMLHLZQJ-UGKGYDQZSA-N 1 0 484.693 3.001 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304755619 1067838371 /nfs/dbraw/zinc/83/83/71/1067838371.db2.gz DOVJJUIBMAGGGA-ZEQKJWHPSA-N 1 0 471.694 3.495 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CCOC[C@H]2C)CC1 ZINC001303310906 1067839318 /nfs/dbraw/zinc/83/93/18/1067839318.db2.gz MISMJVMJSGMNMC-QGZVFWFLSA-N 1 0 495.441 3.098 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303310969 1067840098 /nfs/dbraw/zinc/84/00/98/1067840098.db2.gz OWMINNFVZIQPCC-HXUWFJFHSA-N 1 0 475.037 3.346 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(C)(C)O)CC1 ZINC001303311141 1067840184 /nfs/dbraw/zinc/84/01/84/1067840184.db2.gz WNBUCRSJLSTGLA-LJQANCHMSA-N 1 0 464.655 3.084 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](Cc4noc(C)n4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304756501 1067840537 /nfs/dbraw/zinc/84/05/37/1067840537.db2.gz QCGBLQWMDBLIAX-JOCHJYFZSA-N 1 0 483.665 3.409 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303311709 1067841112 /nfs/dbraw/zinc/84/11/12/1067841112.db2.gz IWJPKKBIBDLLGJ-LJQANCHMSA-N 1 0 486.970 3.392 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC001303312057 1067841585 /nfs/dbraw/zinc/84/15/85/1067841585.db2.gz WWYGQMIKEVFARJ-YTTGMZPUSA-N 1 0 473.046 3.451 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303312066 1067841625 /nfs/dbraw/zinc/84/16/25/1067841625.db2.gz XJCGDUQGUKENRZ-LJQANCHMSA-N 1 0 486.970 3.392 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCN(CC(F)(F)F)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC001304758537 1067843141 /nfs/dbraw/zinc/84/31/41/1067843141.db2.gz GFKQTTPSFIQTFF-OAQYLSRUSA-N 1 0 496.626 3.335 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001303316626 1067843444 /nfs/dbraw/zinc/84/34/44/1067843444.db2.gz GYUQHBAFEPXRIA-UHFFFAOYSA-N 1 0 457.529 3.206 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[NH+]2CCCCC2)n1 ZINC001304758906 1067843967 /nfs/dbraw/zinc/84/39/67/1067843967.db2.gz FZAUCAMPQIXBLI-NRFANRHFSA-N 1 0 486.665 3.071 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001303316936 1067844777 /nfs/dbraw/zinc/84/47/77/1067844777.db2.gz GUZYAXNHDVNTMA-UHFFFAOYSA-N 1 0 475.519 3.179 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCn2cc(Br)cn2)CC1 ZINC001303316952 1067844878 /nfs/dbraw/zinc/84/48/78/1067844878.db2.gz HKDBKSVMLVVHFP-UHFFFAOYSA-N 1 0 464.437 3.120 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCCOCC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC001304759545 1067845242 /nfs/dbraw/zinc/84/52/42/1067845242.db2.gz MJGYTXHREDIKHZ-NRFANRHFSA-N 1 0 451.619 3.496 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001303317079 1067845379 /nfs/dbraw/zinc/84/53/79/1067845379.db2.gz PFEUICRQCHSEOW-BHDDXSALSA-N 1 0 463.667 3.170 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(F)c2)CC1 ZINC001303317137 1067845514 /nfs/dbraw/zinc/84/55/14/1067845514.db2.gz RDCJHCDYPTVYID-UHFFFAOYSA-N 1 0 456.591 3.182 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(OC3CCOCC3)c2)CC1 ZINC001303317207 1067846016 /nfs/dbraw/zinc/84/60/16/1067846016.db2.gz JRGHFTJHTFZYAJ-UHFFFAOYSA-N 1 0 456.635 3.398 20 0 JGADRO CC(C)[NH+]1CCN(C2CCN(c3nnc(CC4CC4)n3CCSC(F)(F)F)CC2)CC1 ZINC001303317687 1067846978 /nfs/dbraw/zinc/84/69/78/1067846978.db2.gz AIVCLNWEWYIDDR-UHFFFAOYSA-N 1 0 460.614 3.478 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)CC1 ZINC001303317658 1067847109 /nfs/dbraw/zinc/84/71/09/1067847109.db2.gz SORFCYAKMGMGGW-QGZVFWFLSA-N 1 0 472.581 3.162 20 0 JGADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC[C@@H](F)C3)CC2)C1 ZINC001303317774 1067847445 /nfs/dbraw/zinc/84/74/45/1067847445.db2.gz CSCPLIPOECGZHT-YPAWHYETSA-N 1 0 464.674 3.236 20 0 JGADRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccncc4)n3CCSC(F)(F)F)C2)CC1 ZINC001303317932 1067847459 /nfs/dbraw/zinc/84/74/59/1067847459.db2.gz FQVBFMUDICDYQG-IBGZPJMESA-N 1 0 483.608 3.122 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)CC1 ZINC001303317864 1067847643 /nfs/dbraw/zinc/84/76/43/1067847643.db2.gz WGBBLWCTRZXXFA-UHFFFAOYSA-N 1 0 460.504 3.291 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2ccc(C(C)(C)O)cc2)n1 ZINC001304761569 1067848340 /nfs/dbraw/zinc/84/83/40/1067848340.db2.gz ZHJWRNOODZXEBQ-UHFFFAOYSA-N 1 0 465.646 3.336 20 0 JGADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCSC3(C)C)CC2)C1 ZINC001303318157 1067848636 /nfs/dbraw/zinc/84/86/36/1067848636.db2.gz JHOBPTSDGHTJGJ-RTWAWAEBSA-N 1 0 478.751 3.339 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@](C)(O)C2CCCCC2)n1 ZINC001304761684 1067848681 /nfs/dbraw/zinc/84/86/81/1067848681.db2.gz YCBYCIDCHHTTTM-VWLOTQADSA-N 1 0 457.667 3.249 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([NH+](C)C)CCCC2)n1 ZINC001304761591 1067848735 /nfs/dbraw/zinc/84/87/35/1067848735.db2.gz ZVIBCDKBNVBGSI-UHFFFAOYSA-N 1 0 486.665 3.071 20 0 JGADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(CC(C)(C)C)n3CCCC3CCOCC3)CC2)C1 ZINC001303318414 1067849718 /nfs/dbraw/zinc/84/97/18/1067849718.db2.gz RFNRZHBGQCCLGL-DEOSSOPVSA-N 1 0 490.737 3.305 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4ccc(F)c(F)c4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304763030 1067850810 /nfs/dbraw/zinc/85/08/10/1067850810.db2.gz NNBDLFXEZSBIRT-QFIPXVFZSA-N 1 0 473.572 3.336 20 0 JGADRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC001303318685 1067850959 /nfs/dbraw/zinc/85/09/59/1067850959.db2.gz YIYMBSLRDANRGO-NHCUHLMSSA-N 1 0 499.670 3.356 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](Cc4ccccc4)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304764059 1067852567 /nfs/dbraw/zinc/85/25/67/1067852567.db2.gz QQXRYNYWARPATP-DEOSSOPVSA-N 1 0 465.646 3.318 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001304764968 1067854602 /nfs/dbraw/zinc/85/46/02/1067854602.db2.gz WTGNASGIPPRMFQ-NHCUHLMSSA-N 1 0 483.686 3.459 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCC(C)C)n1 ZINC001304765274 1067854834 /nfs/dbraw/zinc/85/48/34/1067854834.db2.gz WYNTWJHLWJRUKN-SZPZYZBQSA-N 1 0 456.683 3.181 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@H]1CCCO1 ZINC001303327530 1067855605 /nfs/dbraw/zinc/85/56/05/1067855605.db2.gz KAXBZCOHPXLGSL-KSEOMHKRSA-N 1 0 454.619 3.085 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001303327217 1067855714 /nfs/dbraw/zinc/85/57/14/1067855714.db2.gz HGFQAYQRTTVVOO-CEWLAPEOSA-N 1 0 490.599 3.330 20 0 JGADRO Cc1cc(C)n(CC2CCN(c3nnc(-c4ccccc4)n3CCOCC[NH+](C)C)CC2)n1 ZINC001304766457 1067856621 /nfs/dbraw/zinc/85/66/21/1067856621.db2.gz CMALSALFQCNSBQ-UHFFFAOYSA-N 1 0 451.619 3.253 20 0 JGADRO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC001304767241 1067857769 /nfs/dbraw/zinc/85/77/69/1067857769.db2.gz UXRGGBJKTRONFB-JQVVWYNYSA-N 1 0 472.682 3.200 20 0 JGADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)CCO2)n1 ZINC001304768298 1067858514 /nfs/dbraw/zinc/85/85/14/1067858514.db2.gz BQGYLMXIHIXSFL-SFTDATJTSA-N 1 0 457.667 3.415 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)C[C@H](C)c2nccs2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001303330039 1067859197 /nfs/dbraw/zinc/85/91/97/1067859197.db2.gz JUUQBFOSQLGUII-SFHVURJKSA-N 1 0 467.643 3.171 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCCC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001303334043 1067862999 /nfs/dbraw/zinc/86/29/99/1067862999.db2.gz JQKSXZSEKAHJGF-IBGZPJMESA-N 1 0 453.635 3.136 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001303334108 1067863032 /nfs/dbraw/zinc/86/30/32/1067863032.db2.gz LNSJRQUTNZPDSM-HXUWFJFHSA-N 1 0 495.653 3.050 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001303334903 1067863846 /nfs/dbraw/zinc/86/38/46/1067863846.db2.gz ALXBTWXGIFAWOQ-UHFFFAOYSA-N 1 0 491.644 3.278 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001303335273 1067864825 /nfs/dbraw/zinc/86/48/25/1067864825.db2.gz LVRAJJLRCAFOJA-SFHVURJKSA-N 1 0 492.550 3.108 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001303336242 1067866154 /nfs/dbraw/zinc/86/61/54/1067866154.db2.gz PJOZLPRDJCQCNE-FQEVSTJZSA-N 1 0 499.063 3.004 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001303338155 1067867937 /nfs/dbraw/zinc/86/79/37/1067867937.db2.gz XVAIDZWGUAFGGH-JOCHJYFZSA-N 1 0 472.678 3.492 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001303338156 1067867967 /nfs/dbraw/zinc/86/79/67/1067867967.db2.gz XVAIDZWGUAFGGH-QFIPXVFZSA-N 1 0 472.678 3.492 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001303340499 1067868592 /nfs/dbraw/zinc/86/85/92/1067868592.db2.gz URQQHRIXHMADDH-JOCHJYFZSA-N 1 0 496.681 3.448 20 0 JGADRO Cc1nnc([C@@H]2CN(c3nnc(Cc4ccccn4)n3CCC[NH+](C(C)C)C(C)C)CCO2)o1 ZINC001304775245 1067869038 /nfs/dbraw/zinc/86/90/38/1067869038.db2.gz OTZOAJHUTYQKDJ-NRFANRHFSA-N 1 0 468.606 3.042 20 0 JGADRO Cc1nnc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CCO2)o1 ZINC001304776227 1067870624 /nfs/dbraw/zinc/87/06/24/1067870624.db2.gz XNHBCCXSTAUPFL-SCTDSRPQSA-N 1 0 475.638 3.024 20 0 JGADRO CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001303347794 1067874805 /nfs/dbraw/zinc/87/48/05/1067874805.db2.gz SJAMKHLKZRPNLE-RBUKOAKNSA-N 1 0 460.648 3.148 20 0 JGADRO CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CC[N@@H+]1CCC[C@H]1C ZINC001303347795 1067874890 /nfs/dbraw/zinc/87/48/90/1067874890.db2.gz SJAMKHLKZRPNLE-RTBURBONSA-N 1 0 460.648 3.148 20 0 JGADRO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001303350455 1067877524 /nfs/dbraw/zinc/87/75/24/1067877524.db2.gz VCJTWCBDPNUONN-XXBNENTESA-N 1 0 468.646 3.309 20 0 JGADRO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001303350452 1067877642 /nfs/dbraw/zinc/87/76/42/1067877642.db2.gz VCJTWCBDPNUONN-AUSIDOKSSA-N 1 0 468.646 3.309 20 0 JGADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](c3nccn3C)c3ccc(F)c(F)c3)CC2)c1 ZINC001304784076 1067879416 /nfs/dbraw/zinc/87/94/16/1067879416.db2.gz PPSGEJAKZBPMQY-DEOSSOPVSA-N 1 0 453.537 3.425 20 0 JGADRO CC(C)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001303352972 1067879929 /nfs/dbraw/zinc/87/99/29/1067879929.db2.gz MLXRHXBPQMRONO-RTBURBONSA-N 1 0 456.660 3.195 20 0 JGADRO CC(C)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001303354480 1067881958 /nfs/dbraw/zinc/88/19/58/1067881958.db2.gz MIDJLCVDLHHTCX-UAFMIMERSA-N 1 0 460.667 3.319 20 0 JGADRO Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001304788977 1067881876 /nfs/dbraw/zinc/88/18/76/1067881876.db2.gz PMMCLQXMDLWWNR-UHFFFAOYSA-N 1 0 476.666 3.457 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001303354170 1067882013 /nfs/dbraw/zinc/88/20/13/1067882013.db2.gz GPDKMSZTMXJKNX-UHFFFAOYSA-N 1 0 472.556 3.029 20 0 JGADRO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304799448 1067884316 /nfs/dbraw/zinc/88/43/16/1067884316.db2.gz PXDTYSCIMZDENU-BGYRXZFFSA-N 1 0 484.645 3.179 20 0 JGADRO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304799452 1067884701 /nfs/dbraw/zinc/88/47/01/1067884701.db2.gz PXDTYSCIMZDENU-WOJBJXKFSA-N 1 0 484.645 3.179 20 0 JGADRO Cc1nnc(N(C)CC2CN(C(=O)OCc3ccccc3)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304800716 1067884741 /nfs/dbraw/zinc/88/47/41/1067884741.db2.gz YZSYPGRCNGVIDB-UXHICEINSA-N 1 0 454.619 3.412 20 0 JGADRO Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001304810404 1067887224 /nfs/dbraw/zinc/88/72/24/1067887224.db2.gz ABQFZBSBJNXMSF-OAQYLSRUSA-N 1 0 455.525 3.105 20 0 JGADRO Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001304811641 1067888241 /nfs/dbraw/zinc/88/82/41/1067888241.db2.gz VWSONNQNUUFXNI-XMSQKQJNSA-N 1 0 472.634 3.315 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001303363040 1067890216 /nfs/dbraw/zinc/89/02/16/1067890216.db2.gz CKEVVPRYDJGOHT-HKUYNNGSSA-N 1 0 452.594 3.408 20 0 JGADRO Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001304822560 1067892376 /nfs/dbraw/zinc/89/23/76/1067892376.db2.gz QTVAYVXJLCDEIU-LJQANCHMSA-N 1 0 464.655 3.171 20 0 JGADRO Cc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001304822848 1067893285 /nfs/dbraw/zinc/89/32/85/1067893285.db2.gz RKNPQLKYONPVOC-XMMPIXPASA-N 1 0 497.688 3.098 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H](C)N1CCc2ccccc21 ZINC001303366051 1067893553 /nfs/dbraw/zinc/89/35/53/1067893553.db2.gz JGIGGAXCPHQIGZ-OAQYLSRUSA-N 1 0 481.689 3.424 20 0 JGADRO Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001304823655 1067893595 /nfs/dbraw/zinc/89/35/95/1067893595.db2.gz VWTGQWZELRSZOA-IBGZPJMESA-N 1 0 456.557 3.279 20 0 JGADRO Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001304826039 1067894593 /nfs/dbraw/zinc/89/45/93/1067894593.db2.gz SBRSEVWETUIUEE-UHFFFAOYSA-N 1 0 481.476 3.395 20 0 JGADRO 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JGADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304911099 1067954466 /nfs/dbraw/zinc/95/44/66/1067954466.db2.gz KKWITROVMNWNCN-GUDVDZBRSA-N 1 0 484.645 3.173 20 0 JGADRO CC(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001303430431 1067954837 /nfs/dbraw/zinc/95/48/37/1067954837.db2.gz WDJRCCHQISXYLN-GOSISDBHSA-N 1 0 460.573 3.126 20 0 JGADRO CC(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001303430893 1067955624 /nfs/dbraw/zinc/95/56/24/1067955624.db2.gz PTVNJPMYICIRNH-XMMPIXPASA-N 1 0 475.641 3.279 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304912495 1067956427 /nfs/dbraw/zinc/95/64/27/1067956427.db2.gz QAGIMMWLJRCUOJ-WTGUMLROSA-N 1 0 469.634 3.296 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC(CCCO)CC2)C1 ZINC001304912579 1067956433 /nfs/dbraw/zinc/95/64/33/1067956433.db2.gz QMBXTEGGYLOPKP-OYRHEFFESA-N 1 0 474.694 3.146 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001304912636 1067956800 /nfs/dbraw/zinc/95/68/00/1067956800.db2.gz REQVJKUDIVHJTE-LJKQEARRSA-N 1 0 486.636 3.454 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001304912637 1067956848 /nfs/dbraw/zinc/95/68/48/1067956848.db2.gz REQVJKUDIVHJTE-UDCNLSRBSA-N 1 0 486.636 3.454 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)C1 ZINC001304913072 1067957295 /nfs/dbraw/zinc/95/72/95/1067957295.db2.gz SRZXSTQJMMALPR-ZCNNSNEGSA-N 1 0 451.681 3.317 20 0 JGADRO CC(C)OC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304913175 1067957609 /nfs/dbraw/zinc/95/76/09/1067957609.db2.gz UTWCXRSSGOAKHG-ZCNNSNEGSA-N 1 0 498.738 3.039 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304913733 1067957948 /nfs/dbraw/zinc/95/79/48/1067957948.db2.gz XGUWATIXQXHVOM-SFTDATJTSA-N 1 0 484.693 3.286 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001304914306 1067958294 /nfs/dbraw/zinc/95/82/94/1067958294.db2.gz YPYCHBWKBNGBJR-BGYRXZFFSA-N 1 0 488.702 3.034 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001304914252 1067958329 /nfs/dbraw/zinc/95/83/29/1067958329.db2.gz XYMGOQZCFFTKFP-KDURUIRLSA-N 1 0 482.739 3.141 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)C1 ZINC001304914310 1067958349 /nfs/dbraw/zinc/95/83/49/1067958349.db2.gz YROZVBRVQKBRAV-OALUTQOASA-N 1 0 487.693 3.144 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001303435460 1067958532 /nfs/dbraw/zinc/95/85/32/1067958532.db2.gz RZKUMENQEDNVPQ-ROUUACIJSA-N 1 0 458.582 3.002 20 0 JGADRO CC(C)[NH+](CCn1c(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)nnc1C(C)(C)C)C(C)C ZINC001304914555 1067958728 /nfs/dbraw/zinc/95/87/28/1067958728.db2.gz URJWAPSNJAYKTB-GOTSBHOMSA-N 1 0 489.753 3.321 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)CCOC1 ZINC001304915229 1067959470 /nfs/dbraw/zinc/95/94/70/1067959470.db2.gz BYAOOYOOFMMFRZ-BKSPAHHJSA-N 1 0 463.667 3.036 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001303436190 1067959554 /nfs/dbraw/zinc/95/95/54/1067959554.db2.gz QOZGCHIEQVDVGC-MRXNPFEDSA-N 1 0 463.424 3.153 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001304917608 1067960518 /nfs/dbraw/zinc/96/05/18/1067960518.db2.gz MEIDBXYPSROFAB-FAKFISEUSA-N 1 0 488.702 3.281 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001304918082 1067960852 /nfs/dbraw/zinc/96/08/52/1067960852.db2.gz MZSXGRVPKKPDIZ-DYQZNNLLSA-N 1 0 474.675 3.208 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@H+](C)C1CCCC1 ZINC001303437710 1067962042 /nfs/dbraw/zinc/96/20/42/1067962042.db2.gz MVURMYSKFBZUAJ-UHFFFAOYSA-N 1 0 451.619 3.272 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001303440966 1067963108 /nfs/dbraw/zinc/96/31/08/1067963108.db2.gz MCQJGIJIPYQUDM-REWPJTCUSA-N 1 0 484.645 3.406 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303441092 1067963554 /nfs/dbraw/zinc/96/35/54/1067963554.db2.gz OOMVAHQQURCFFH-SIKLNZKXSA-N 1 0 470.618 3.016 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001303441724 1067963956 /nfs/dbraw/zinc/96/39/56/1067963956.db2.gz XRIHUFUDYQFXIS-LJQANCHMSA-N 1 0 456.616 3.321 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304923392 1067964320 /nfs/dbraw/zinc/96/43/20/1067964320.db2.gz DWXMLSMVUCYCDY-BHIFYINESA-N 1 0 484.693 3.292 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001303442207 1067964340 /nfs/dbraw/zinc/96/43/40/1067964340.db2.gz STIJRJTUHBWVJU-QFIPXVFZSA-N 1 0 456.635 3.369 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304923054 1067964406 /nfs/dbraw/zinc/96/44/06/1067964406.db2.gz DISGMMSPVPUKMJ-FGZHOGPDSA-N 1 0 474.694 3.235 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304923057 1067964436 /nfs/dbraw/zinc/96/44/36/1067964436.db2.gz DISGMMSPVPUKMJ-VXKWHMMOSA-N 1 0 474.694 3.235 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304923219 1067964786 /nfs/dbraw/zinc/96/47/86/1067964786.db2.gz AJBPRVCMPSTZBC-RZUBCFFCSA-N 1 0 460.667 3.370 20 0 JGADRO CC(C)NC(=O)CN(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303443252 1067965099 /nfs/dbraw/zinc/96/50/99/1067965099.db2.gz IZVCVTFVBMKKRH-UHFFFAOYSA-N 1 0 465.646 3.364 20 0 JGADRO CC(C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304923319 1067965184 /nfs/dbraw/zinc/96/51/84/1067965184.db2.gz BZIPBUKUUNYFIK-AKFKNWHVSA-N 1 0 481.689 3.118 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN2CCOCC2)C1 ZINC001304923759 1067965894 /nfs/dbraw/zinc/96/58/94/1067965894.db2.gz FLKHDPFJHIYYLU-PMACEKPBSA-N 1 0 476.069 3.130 20 0 JGADRO CC(C)NC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001303443834 1067965987 /nfs/dbraw/zinc/96/59/87/1067965987.db2.gz FIMNRDFZIPLFKY-GOSISDBHSA-N 1 0 460.598 3.392 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001304923954 1067966282 /nfs/dbraw/zinc/96/62/82/1067966282.db2.gz HKVPCHFNBJVSTA-XSDIEEQYSA-N 1 0 469.634 3.297 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304923981 1067966314 /nfs/dbraw/zinc/96/63/14/1067966314.db2.gz HZBCQNLGCNXLGO-ONUIULTDSA-N 1 0 466.696 3.025 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(N3CCN(c4ncccn4)CC3)nnc2C(C)(C)C)C1 ZINC001304925677 1067969084 /nfs/dbraw/zinc/96/90/84/1067969084.db2.gz NDHABFDXGMONSF-SFTDATJTSA-N 1 0 454.667 3.450 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001304925836 1067969532 /nfs/dbraw/zinc/96/95/32/1067969532.db2.gz PBCQYTRVKNEYBT-BRWVUGGUSA-N 1 0 463.001 3.417 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H]2CCOC2)C1 ZINC001304926552 1067970720 /nfs/dbraw/zinc/97/07/20/1067970720.db2.gz SELOZEVHKXTJIS-NJDAHSKKSA-N 1 0 489.686 3.189 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001304926786 1067971187 /nfs/dbraw/zinc/97/11/87/1067971187.db2.gz HLVNVXJSKPMRCK-AKFKNWHVSA-N 1 0 470.662 3.262 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cc4ccccc4o3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001304926829 1067971753 /nfs/dbraw/zinc/97/17/53/1067971753.db2.gz UAGFQQADEJCZRR-KDURUIRLSA-N 1 0 488.658 3.045 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC001304927040 1067972352 /nfs/dbraw/zinc/97/23/52/1067972352.db2.gz HZVPGYJPWPORQX-BHIFYINESA-N 1 0 457.667 3.337 20 0 JGADRO CC(C)NC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001303452812 1067972827 /nfs/dbraw/zinc/97/28/27/1067972827.db2.gz HVGRCQQNFMJBHC-UHFFFAOYSA-N 1 0 452.647 3.290 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)N(C)C[C@@H]3C2)C1 ZINC001304927558 1067973793 /nfs/dbraw/zinc/97/37/93/1067973793.db2.gz VVMQOBNUZVDBTG-NJDAHSKKSA-N 1 0 459.683 3.181 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001304927532 1067973804 /nfs/dbraw/zinc/97/38/04/1067973804.db2.gz VQXNYPJPJBGRTG-HBMCJLEFSA-N 1 0 495.734 3.332 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001304927535 1067973902 /nfs/dbraw/zinc/97/39/02/1067973902.db2.gz VQXNYPJPJBGRTG-NJYVYQBISA-N 1 0 495.734 3.332 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H]2CCSC2)C1 ZINC001304927685 1067974215 /nfs/dbraw/zinc/97/42/15/1067974215.db2.gz XTTQFIAKYXQRJR-OTWHNJEPSA-N 1 0 457.648 3.235 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H]2[C@@H]2CCCO2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304928141 1067975230 /nfs/dbraw/zinc/97/52/30/1067975230.db2.gz SVJMDJWUODVLQE-LRSLUSHPSA-N 1 0 460.667 3.322 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2nccs2)C1 ZINC001304928197 1067975726 /nfs/dbraw/zinc/97/57/26/1067975726.db2.gz UHQKELLPDSQOJC-KDURUIRLSA-N 1 0 459.664 3.365 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001304928304 1067975741 /nfs/dbraw/zinc/97/57/41/1067975741.db2.gz ZNDKTWMOHIFPJF-FUPPJEDESA-N 1 0 488.702 3.035 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304928944 1067977004 /nfs/dbraw/zinc/97/70/04/1067977004.db2.gz SFJNQIVJYSUTDW-CIAFKFPVSA-N 1 0 460.667 3.239 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C1 ZINC001304929646 1067978332 /nfs/dbraw/zinc/97/83/32/1067978332.db2.gz XLKNNCQFAFLCBN-SFTDATJTSA-N 1 0 482.673 3.459 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CSCCS2)CC1 ZINC001303462667 1067981860 /nfs/dbraw/zinc/98/18/60/1067981860.db2.gz HRMRSHKFADAGKR-SIKLNZKXSA-N 1 0 469.721 3.134 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)NCC2CC2)CC1 ZINC001303463166 1067982672 /nfs/dbraw/zinc/98/26/72/1067982672.db2.gz OAXQLNLOSHFHSI-QGZVFWFLSA-N 1 0 458.582 3.050 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001303463526 1067982678 /nfs/dbraw/zinc/98/26/78/1067982678.db2.gz UXBNJKCNNSQPIZ-AZUAARDMSA-N 1 0 493.649 3.491 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2COCCO2)CC1 ZINC001303463168 1067982691 /nfs/dbraw/zinc/98/26/91/1067982691.db2.gz OEQGNMJDDRVDAF-QGZVFWFLSA-N 1 0 482.398 3.229 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)CC(F)(F)F)CC1 ZINC001303464482 1067983401 /nfs/dbraw/zinc/98/34/01/1067983401.db2.gz JBCJPIPIYIWJGW-UHFFFAOYSA-N 1 0 468.524 3.135 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001303464542 1067983493 /nfs/dbraw/zinc/98/34/93/1067983493.db2.gz LCKXKUDYYJQOJH-HNNXBMFYSA-N 1 0 470.014 3.139 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303464691 1067983848 /nfs/dbraw/zinc/98/38/48/1067983848.db2.gz HTAHPKMCTFCKGH-HXUWFJFHSA-N 1 0 482.551 3.252 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001303465386 1067984360 /nfs/dbraw/zinc/98/43/60/1067984360.db2.gz OZCJXWUWOZVFOJ-JOCHJYFZSA-N 1 0 475.659 3.102 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2nccs2)CC1 ZINC001303465586 1067984840 /nfs/dbraw/zinc/98/48/40/1067984840.db2.gz JZAMAPLWFPUPCJ-MRXNPFEDSA-N 1 0 473.672 3.497 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSc2ccccc2)CC1 ZINC001303465804 1067985139 /nfs/dbraw/zinc/98/51/39/1067985139.db2.gz TWJVQNCMKHNELH-LJQANCHMSA-N 1 0 477.700 3.329 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN(C)c2ccccc2)CC1 ZINC001303465797 1067985273 /nfs/dbraw/zinc/98/52/73/1067985273.db2.gz TVGWCXVNMKHVTR-NRFANRHFSA-N 1 0 488.702 3.064 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001303466922 1067985603 /nfs/dbraw/zinc/98/56/03/1067985603.db2.gz VDGJDIFTRRSOEO-FQEVSTJZSA-N 1 0 482.645 3.253 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(Br)cs2)CC1 ZINC001303466646 1067985719 /nfs/dbraw/zinc/98/57/19/1067985719.db2.gz TVMMCNDBPCZSMZ-UHFFFAOYSA-N 1 0 481.464 3.240 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)cc2)CC1 ZINC001303467774 1067986488 /nfs/dbraw/zinc/98/64/88/1067986488.db2.gz IGIWQSLHCVWABI-UHFFFAOYSA-N 1 0 456.591 3.424 20 0 JGADRO C[C@H]1C[C@@H](CCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001304938692 1067987499 /nfs/dbraw/zinc/98/74/99/1067987499.db2.gz OIFIXRAVQXMHIY-RBBKRZOGSA-N 1 0 490.656 3.387 20 0 JGADRO C[C@H]1C[C@H](CCn2c(-c3ccc[nH]3)nnc2N(C)CCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC001304943180 1067994466 /nfs/dbraw/zinc/99/44/66/1067994466.db2.gz ZHXGXSSBEZQPCJ-FPOVZHCZSA-N 1 0 470.643 3.055 20 0 JGADRO C[NH+](C)CC[C@@H]1CCN(C(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)C1 ZINC001303478762 1067998358 /nfs/dbraw/zinc/99/83/58/1067998358.db2.gz PCLKLWSBWKVFRJ-GFCCVEGCSA-N 1 0 455.378 3.094 20 0 JGADRO C[C@H]1C[C@H](N(C)c2nnc(-c3cccn3C)n2CCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304948835 1067999495 /nfs/dbraw/zinc/99/94/95/1067999495.db2.gz KLELOLNOJCDHPP-RBBKRZOGSA-N 1 0 463.630 3.251 20 0 JGADRO C[C@@H]1C[C@H](N(C)c2nnc(-c3cccn3C)n2CCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304948833 1067999675 /nfs/dbraw/zinc/99/96/75/1067999675.db2.gz KLELOLNOJCDHPP-IFMALSPDSA-N 1 0 463.630 3.251 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H](C2CC2)[NH+](C)C)CCOC1 ZINC001303480316 1067999987 /nfs/dbraw/zinc/99/99/87/1067999987.db2.gz CGURJDRWVRNARF-GCJKJVERSA-N 1 0 499.582 3.048 20 0 JGADRO C[C@H]1C[C@H](N(C)c2nnc(-c3cccnc3)n2CCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001304953821 1068001471 /nfs/dbraw/zinc/00/14/71/1068001471.db2.gz SPLPBYDXNMEWLA-NZQKXSOJSA-N 1 0 461.614 3.308 20 0 JGADRO C[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001304969682 1068010207 /nfs/dbraw/zinc/01/02/07/1068010207.db2.gz ICQKDCSQBNCHLN-VAMGGRTRSA-N 1 0 451.681 3.460 20 0 JGADRO C[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001304970872 1068011098 /nfs/dbraw/zinc/01/10/98/1068011098.db2.gz JPYNCQVZBAIFLR-CGXNFDGLSA-N 1 0 451.681 3.460 20 0 JGADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(C)CC1)C[NH+]1CCCCC1 ZINC001304971425 1068011715 /nfs/dbraw/zinc/01/17/15/1068011715.db2.gz XLCPPOWRXAPQLT-KAXARAQCSA-N 1 0 454.685 3.025 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001303488258 1068011829 /nfs/dbraw/zinc/01/18/29/1068011829.db2.gz AVJZXULQLBSVGG-DNQXCXABSA-N 1 0 481.707 3.150 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(C)C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCOC1 ZINC001303489263 1068013144 /nfs/dbraw/zinc/01/31/44/1068013144.db2.gz JQRXTCJDKSRSCG-TZBSWOFLSA-N 1 0 463.667 3.302 20 0 JGADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(C3CC3)n2CC(F)(F)Br)CC1 ZINC001304973127 1068013327 /nfs/dbraw/zinc/01/33/27/1068013327.db2.gz DVDNWTIPVOFNMS-GJZGRUSLSA-N 1 0 461.399 3.138 20 0 JGADRO CC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001304974303 1068013755 /nfs/dbraw/zinc/01/37/55/1068013755.db2.gz IGUGEBBHYVMCTA-ZNIKRAEXSA-N 1 0 454.619 3.233 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)CCOC1 ZINC001303490161 1068014965 /nfs/dbraw/zinc/01/49/65/1068014965.db2.gz RHRXTSSWVOHHDL-NLFFAJNJSA-N 1 0 463.667 3.302 20 0 JGADRO CC1CCC(N(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCOCC[NH+](C)C)CC1 ZINC001304976222 1068015242 /nfs/dbraw/zinc/01/52/42/1068015242.db2.gz QDJJIJMZPVNUIN-UHFFFAOYSA-N 1 0 453.591 3.187 20 0 JGADRO C[C@H](Cn1c(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001304976385 1068015528 /nfs/dbraw/zinc/01/55/28/1068015528.db2.gz MRDZMITVEQOGBD-HKBOAZHASA-N 1 0 491.725 3.484 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@](C)(O)c1cccs1 ZINC001304978543 1068016879 /nfs/dbraw/zinc/01/68/79/1068016879.db2.gz DQSUBXMPUUPVBN-MORLXBONSA-N 1 0 474.675 3.086 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCc1ccc(F)cc1 ZINC001304979266 1068017777 /nfs/dbraw/zinc/01/77/77/1068017777.db2.gz MSETZJQUFBPTRO-UHFFFAOYSA-N 1 0 456.610 3.499 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC(C)(C)c1ccccn1 ZINC001304979676 1068018219 /nfs/dbraw/zinc/01/82/19/1068018219.db2.gz UHMKXFSFPYLABF-UHFFFAOYSA-N 1 0 467.662 3.490 20 0 JGADRO CC1CCC([NH+]2CCN(c3nnc(Cc4ccc(F)cc4)n3CC(=O)NCC(F)(F)F)CC2)CC1 ZINC001304980044 1068018507 /nfs/dbraw/zinc/01/85/07/1068018507.db2.gz FBHJNPLNIRYQPX-UHFFFAOYSA-N 1 0 496.553 3.387 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCOCC(F)F)CCOC1 ZINC001304980484 1068019975 /nfs/dbraw/zinc/01/99/75/1068019975.db2.gz MVUITXPEVPVDAA-IMQCZEGASA-N 1 0 485.620 3.301 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001304980952 1068020207 /nfs/dbraw/zinc/02/02/07/1068020207.db2.gz KWEUCAWHBDGGCD-IXDOHACOSA-N 1 0 479.716 3.483 20 0 JGADRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC001303495042 1068021220 /nfs/dbraw/zinc/02/12/20/1068021220.db2.gz VWPMHFCZOJEZQA-UHFFFAOYSA-N 1 0 454.571 3.380 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304981405 1068021727 /nfs/dbraw/zinc/02/17/27/1068021727.db2.gz SHPWWWSWAWKNNU-HCXYKTFWSA-N 1 0 488.702 3.331 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981793 1068022450 /nfs/dbraw/zinc/02/24/50/1068022450.db2.gz BGSIOAPMSVJRIS-YZLZLFLDSA-N 1 0 494.628 3.178 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H](C)O1 ZINC001304981990 1068022888 /nfs/dbraw/zinc/02/28/88/1068022888.db2.gz CSANTOSVOFDORW-BTKWVRSESA-N 1 0 471.694 3.340 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(C(=O)Nc3ccccn3)nnc2N(CCO)Cc2ccccc2)([NH+](C)C)C1 ZINC001304982086 1068022933 /nfs/dbraw/zinc/02/29/33/1068022933.db2.gz CZQMIDFCWBBACA-ZBLYBZFDSA-N 1 0 491.640 3.435 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCNC(=O)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304984053 1068026368 /nfs/dbraw/zinc/02/63/68/1068026368.db2.gz OPQKCSHQCAVAMI-HHJKRLRDSA-N 1 0 472.609 3.394 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(Cc3ccccc3F)nnc2N(C)CCN2CCOCC2)([NH+](C)C)C1 ZINC001304984572 1068027688 /nfs/dbraw/zinc/02/76/88/1068027688.db2.gz IIEZECXIHBPTHD-QFQXNSOFSA-N 1 0 472.653 3.287 20 0 JGADRO C[C@@H]1CCC[C@@](Cn2c(CC3CCCC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC001304985888 1068029143 /nfs/dbraw/zinc/02/91/43/1068029143.db2.gz LEZLTAQLVVWZCC-CJFMBICVSA-N 1 0 494.750 3.382 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H]3c3cnn(C)c3)n2CCC[N@H+](C)C(C)C)CCOC1 ZINC001303501843 1068030493 /nfs/dbraw/zinc/03/04/93/1068030493.db2.gz PLINZKSACYYPLO-QPPBQGQZSA-N 1 0 459.639 3.124 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)([NH+](C)C)C1 ZINC001304987460 1068030509 /nfs/dbraw/zinc/03/05/09/1068030509.db2.gz ODPFLCZLBZUTCA-YWWLGCSWSA-N 1 0 456.610 3.220 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C)c2nccs2)CCOC1 ZINC001303502079 1068031331 /nfs/dbraw/zinc/03/13/31/1068031331.db2.gz LBUZUPQVWXGYEM-FDDCHVKYSA-N 1 0 462.664 3.499 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(OC(C)(C)C)CC2)([NH+](C)C)C1 ZINC001304989852 1068032046 /nfs/dbraw/zinc/03/20/46/1068032046.db2.gz SGZSYJVTEVQAFE-RNHFSVANSA-N 1 0 495.734 3.475 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001303502397 1068032405 /nfs/dbraw/zinc/03/24/05/1068032405.db2.gz NHUGWZHIUMMIMV-CPJSRVTESA-N 1 0 494.681 3.105 20 0 JGADRO C[C@H]1CCC[C@@](Cn2c(-c3ccc[nH]3)nnc2N(C)CCN2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989916 1068032613 /nfs/dbraw/zinc/03/26/13/1068032613.db2.gz TUPZRVXNFQVMAG-NBGIEHNGSA-N 1 0 457.667 3.331 20 0 JGADRO CC(C)OCCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001304992042 1068033899 /nfs/dbraw/zinc/03/38/99/1068033899.db2.gz XWTLFNLPLMYUAB-YIXXDRMTSA-N 1 0 483.705 3.321 20 0 JGADRO C[C@@H]1CCC[C@](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)([NH+](C)C)C1 ZINC001304992476 1068034333 /nfs/dbraw/zinc/03/43/33/1068034333.db2.gz ZJIFIABDSZVHDJ-KUDFPVQQSA-N 1 0 465.440 3.229 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3CCO[C@H](c4ccccc4)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001303503287 1068034835 /nfs/dbraw/zinc/03/48/35/1068034835.db2.gz CAXHGPSAJMDVCW-NVQXNPDNSA-N 1 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20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001305013343 1068053787 /nfs/dbraw/zinc/05/37/87/1068053787.db2.gz GYMPYDBRPMSNII-IFMALSPDSA-N 1 0 495.734 3.476 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(-c2cccn2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305013382 1068053822 /nfs/dbraw/zinc/05/38/22/1068053822.db2.gz HKTBPURTUOYGGF-NHCUHLMSSA-N 1 0 476.691 3.342 20 0 JGADRO C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001305014970 1068055976 /nfs/dbraw/zinc/05/59/76/1068055976.db2.gz IUAULBZCHRVGIW-DYXWJJEUSA-N 1 0 475.659 3.348 20 0 JGADRO C[C@@H]1COCCN1c1nnc(CNC(=O)c2cccs2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001305015310 1068057467 /nfs/dbraw/zinc/05/74/67/1068057467.db2.gz DEBPVGHWUXEORZ-RBUKOAKNSA-N 1 0 460.648 3.149 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1)C(F)(F)F ZINC001305015808 1068057758 /nfs/dbraw/zinc/05/77/58/1068057758.db2.gz XDSJYBKXXBCRRU-RTBURBONSA-N 1 0 482.599 3.406 20 0 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C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001305059404 1068123077 /nfs/dbraw/zinc/12/30/77/1068123077.db2.gz MFNGLUBZIPYHPW-UXHICEINSA-N 1 0 471.650 3.461 20 0 JGADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCCCC1 ZINC001303598450 1068123559 /nfs/dbraw/zinc/12/35/59/1068123559.db2.gz AFYKONBVJMOOLM-ADTJAAABSA-N 1 0 486.686 3.429 20 0 JGADRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001303598457 1068123612 /nfs/dbraw/zinc/12/36/12/1068123612.db2.gz AGKPQWVVAKHQSY-XHVUARLKSA-N 1 0 470.643 3.055 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001305060302 1068124392 /nfs/dbraw/zinc/12/43/92/1068124392.db2.gz VOHDIHCBKINEJC-NVXWUHKLSA-N 1 0 470.014 3.093 20 0 JGADRO C[C@@H]1CCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001305060784 1068125680 /nfs/dbraw/zinc/12/56/80/1068125680.db2.gz CYWUAHBJEONESW-IXDOHACOSA-N 1 0 466.602 3.481 20 0 JGADRO C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001305061613 1068127007 /nfs/dbraw/zinc/12/70/07/1068127007.db2.gz GHPUXZYGCHGMPO-AQNXPRMDSA-N 1 0 493.649 3.301 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)CCOc1ccc(Cl)cc1 ZINC001305061812 1068127723 /nfs/dbraw/zinc/12/77/23/1068127723.db2.gz IGAGSTSFNFQLOV-SFHVURJKSA-N 1 0 461.010 3.053 20 0 JGADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305061901 1068128270 /nfs/dbraw/zinc/12/82/70/1068128270.db2.gz GJRIKIDCUHKHAU-LEWJYISDSA-N 1 0 499.685 3.121 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCn1cccn1)[NH+]1CCC(C)CC1 ZINC001305061948 1068128305 /nfs/dbraw/zinc/12/83/05/1068128305.db2.gz HKQUOVIHYUHRAG-SFHVURJKSA-N 1 0 489.466 3.499 20 0 JGADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CC[N@H+]1CC=CCC1 ZINC001303600389 1068128458 /nfs/dbraw/zinc/12/84/58/1068128458.db2.gz HNGTZHSHUUOWNG-SFHVURJKSA-N 1 0 486.667 3.037 20 0 JGADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(-c2cccn2C)n1CC1([NH+](C)C)CCCC1 ZINC001303600305 1068128543 /nfs/dbraw/zinc/12/85/43/1068128543.db2.gz GQYMTYOEXQLDID-GOSISDBHSA-N 1 0 485.658 3.003 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001305062036 1068128784 /nfs/dbraw/zinc/12/87/84/1068128784.db2.gz LLJZXWQBVHKJBK-IBGZPJMESA-N 1 0 468.646 3.341 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001305062087 1068128834 /nfs/dbraw/zinc/12/88/34/1068128834.db2.gz WYVQXJDFFOTLCM-KBPBESRZSA-N 1 0 490.493 3.123 20 0 JGADRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303600623 1068128999 /nfs/dbraw/zinc/12/89/99/1068128999.db2.gz HUMLYZNHXSGZNT-YOHOVHIESA-N 1 0 487.699 3.051 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)F)CC1 ZINC001305062948 1068130573 /nfs/dbraw/zinc/13/05/73/1068130573.db2.gz SNMQECBABWBOSU-NLWGTHIKSA-N 1 0 454.610 3.068 20 0 JGADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(-c2cnccn2)n1CC(C)(C)C[NH+](C)C ZINC001303601462 1068130735 /nfs/dbraw/zinc/13/07/35/1068130735.db2.gz LGGBMRGZOOADLY-GOSISDBHSA-N 1 0 478.601 3.477 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305063013 1068131277 /nfs/dbraw/zinc/13/12/77/1068131277.db2.gz MJYKRBUOCPERFY-JOCHJYFZSA-N 1 0 467.662 3.283 20 0 JGADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001305063212 1068131283 /nfs/dbraw/zinc/13/12/83/1068131283.db2.gz FPFKWXYOAPSHAC-ZWKOTPCHSA-N 1 0 456.557 3.413 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3F)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305063364 1068132167 /nfs/dbraw/zinc/13/21/67/1068132167.db2.gz HQGWTNFSOJXKKA-UGKGYDQZSA-N 1 0 472.609 3.254 20 0 JGADRO C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCC(F)F)[NH+]1CCC(C)CC1 ZINC001305063544 1068132256 /nfs/dbraw/zinc/13/22/56/1068132256.db2.gz PXBUMPQHUHCBBQ-KRWDZBQOSA-N 1 0 473.572 3.404 20 0 JGADRO C[C@@H](c1cccc(O)c1)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001303602388 1068132702 /nfs/dbraw/zinc/13/27/02/1068132702.db2.gz MEYUTQMMXKTLBG-UGKGYDQZSA-N 1 0 450.587 3.014 20 0 JGADRO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001303602709 1068133153 /nfs/dbraw/zinc/13/31/53/1068133153.db2.gz OZOXPKKHLFYMBC-AYOQOUSVSA-N 1 0 454.600 3.497 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCC(C)CC1 ZINC001305063761 1068133395 /nfs/dbraw/zinc/13/33/95/1068133395.db2.gz AKKGZIWPRGNKCB-HXUWFJFHSA-N 1 0 461.614 3.120 20 0 JGADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C)CC1 ZINC001305063869 1068134041 /nfs/dbraw/zinc/13/40/41/1068134041.db2.gz RCNDANVQBJDJDG-MJGOQNOKSA-N 1 0 476.572 3.369 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001305063819 1068134102 /nfs/dbraw/zinc/13/41/02/1068134102.db2.gz AZDPNCYCBZSXPI-MOPGFXCFSA-N 1 0 459.038 3.310 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001305064085 1068134620 /nfs/dbraw/zinc/13/46/20/1068134620.db2.gz CCDBEOHGQUBSAE-GHTZIAJQSA-N 1 0 480.078 3.266 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001305064088 1068134976 /nfs/dbraw/zinc/13/49/76/1068134976.db2.gz CCDBEOHGQUBSAE-RXVVDRJESA-N 1 0 480.078 3.266 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001305064474 1068135741 /nfs/dbraw/zinc/13/57/41/1068135741.db2.gz DQXYNEAOGDOIOV-IBGZPJMESA-N 1 0 477.650 3.142 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CC(C)(C)CN1CCOCC1)[NH+]1CCC(C)CC1 ZINC001305064465 1068135761 /nfs/dbraw/zinc/13/57/61/1068135761.db2.gz DJFSSODTKVZXBM-QHCPKHFHSA-N 1 0 483.705 3.179 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC001305064944 1068136373 /nfs/dbraw/zinc/13/63/73/1068136373.db2.gz WTBHAEBXPQWSFA-KRWDZBQOSA-N 1 0 498.491 3.309 20 0 JGADRO C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303604097 1068136448 /nfs/dbraw/zinc/13/64/48/1068136448.db2.gz XOQMPKUUJMBLBW-ICSRJNTNSA-N 1 0 475.659 3.348 20 0 JGADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCNC(=O)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305065419 1068137529 /nfs/dbraw/zinc/13/75/29/1068137529.db2.gz ZVEYXHHGCFLFJC-ZWKOTPCHSA-N 1 0 461.010 3.128 20 0 JGADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc([C@@H]2CCOC2)n1CC[N@H+](C)C1CCCC1 ZINC001303605131 1068137706 /nfs/dbraw/zinc/13/77/06/1068137706.db2.gz AXNZYIQGQDKFHS-IFMALSPDSA-N 1 0 468.646 3.312 20 0 JGADRO C[C@@H](Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001305066647 1068138545 /nfs/dbraw/zinc/13/85/45/1068138545.db2.gz OPGONYPNTHIEOD-FPOVZHCZSA-N 1 0 476.666 3.081 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001305067225 1068139621 /nfs/dbraw/zinc/13/96/21/1068139621.db2.gz RHLITUATBJNFSZ-UXHICEINSA-N 1 0 479.595 3.457 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001305067486 1068140727 /nfs/dbraw/zinc/14/07/27/1068140727.db2.gz SGRRWSQUXUVARK-NJDAHSKKSA-N 1 0 476.666 3.396 20 0 JGADRO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CC=CCC1 ZINC001303606738 1068141535 /nfs/dbraw/zinc/14/15/35/1068141535.db2.gz PWGJORWARYPCHN-JOCHJYFZSA-N 1 0 473.625 3.182 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001305073306 1068146821 /nfs/dbraw/zinc/14/68/21/1068146821.db2.gz CZJVMHQATYLXAL-CMKODMSKSA-N 1 0 480.704 3.269 20 0 JGADRO C[C@H](c1ccccc1F)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCOCC1 ZINC001303614671 1068148639 /nfs/dbraw/zinc/14/86/39/1068148639.db2.gz YNTJLFZVZGYPMN-GOSISDBHSA-N 1 0 481.576 3.373 20 0 JGADRO C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001303620912 1068153001 /nfs/dbraw/zinc/15/30/01/1068153001.db2.gz KQERSNDABVPUOB-TZIWHRDSSA-N 1 0 471.627 3.493 20 0 JGADRO C[C@H](c1nccs1)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001303628992 1068160091 /nfs/dbraw/zinc/16/00/91/1068160091.db2.gz LEPJZNUKMXSYBH-GOSISDBHSA-N 1 0 454.648 3.268 20 0 JGADRO C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001305092511 1068160632 /nfs/dbraw/zinc/16/06/32/1068160632.db2.gz UQWDUPHVPTZYNT-FQEVSTJZSA-N 1 0 478.645 3.121 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1)C(C)C ZINC001303630186 1068161087 /nfs/dbraw/zinc/16/10/87/1068161087.db2.gz PQEYZFPIFAHLNG-LJQANCHMSA-N 1 0 471.679 3.137 20 0 JGADRO O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305094520 1068161828 /nfs/dbraw/zinc/16/18/28/1068161828.db2.gz IFBZVDQCNPUFFI-SQNIBIBYSA-N 1 0 460.372 3.189 20 0 JGADRO CC1CC[NH+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)CC1 ZINC001305102369 1068168415 /nfs/dbraw/zinc/16/84/15/1068168415.db2.gz RMKBOVZSXOXOOV-HXUWFJFHSA-N 1 0 451.681 3.461 20 0 JGADRO CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001305102780 1068168818 /nfs/dbraw/zinc/16/88/18/1068168818.db2.gz ZUCAYXQXXNRDEW-RTWAWAEBSA-N 1 0 476.666 3.433 20 0 JGADRO CC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001305102781 1068168849 /nfs/dbraw/zinc/16/88/49/1068168849.db2.gz ZUCAYXQXXNRDEW-SFTDATJTSA-N 1 0 476.666 3.433 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CCOC1 ZINC001305103008 1068169532 /nfs/dbraw/zinc/16/95/32/1068169532.db2.gz BRPJUEBDZAXAIM-WIOPSUGQSA-N 1 0 463.667 3.446 20 0 JGADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103142 1068170000 /nfs/dbraw/zinc/17/00/00/1068170000.db2.gz CMVPYQIRFGXLEI-VQTJNVASSA-N 1 0 472.609 3.346 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305103298 1068170025 /nfs/dbraw/zinc/17/00/25/1068170025.db2.gz DVUALLNNOVRPKF-WOJBJXKFSA-N 1 0 472.609 3.346 20 0 JGADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001305103227 1068170037 /nfs/dbraw/zinc/17/00/37/1068170037.db2.gz GDQTZCLQCQAVIP-QHCPKHFHSA-N 1 0 467.662 3.127 20 0 JGADRO CC1CC[NH+](CCCn2c(-c3cccc(Br)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001305103329 1068170437 /nfs/dbraw/zinc/17/04/37/1068170437.db2.gz FQUPESBPEZOOPI-SFHVURJKSA-N 1 0 489.462 3.497 20 0 JGADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303643922 1068171523 /nfs/dbraw/zinc/17/15/23/1068171523.db2.gz BOSHOAWRTKDCAC-SJCJKPOMSA-N 1 0 483.842 3.401 20 0 JGADRO CC1CC[NH+](CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001305103867 1068171480 /nfs/dbraw/zinc/17/14/80/1068171480.db2.gz OWZLANIISLRCMY-LJQANCHMSA-N 1 0 459.038 3.311 20 0 JGADRO CC1CC[NH+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001305104265 1068171972 /nfs/dbraw/zinc/17/19/72/1068171972.db2.gz SUKCFHFOIPLGGN-UHFFFAOYSA-N 1 0 499.063 3.353 20 0 JGADRO 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CC1CC[NH+](CCCn2c([C@H]3CCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305106371 1068174102 /nfs/dbraw/zinc/17/41/02/1068174102.db2.gz HUZSHILMFAFFKY-VQTJNVASSA-N 1 0 462.639 3.355 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001305106058 1068174144 /nfs/dbraw/zinc/17/41/44/1068174144.db2.gz GOVQYTPEANWXLW-LJQANCHMSA-N 1 0 487.615 3.001 20 0 JGADRO CC1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001305106377 1068174158 /nfs/dbraw/zinc/17/41/58/1068174158.db2.gz IBOUFZXPWWLFPN-UHFFFAOYSA-N 1 0 468.005 3.461 20 0 JGADRO CC1CC[NH+](CCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CC(C)(C)C)CC1 ZINC001305106553 1068174710 /nfs/dbraw/zinc/17/47/10/1068174710.db2.gz GCXVHZPSHBVQIY-UHFFFAOYSA-N 1 0 451.619 3.406 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CC[NH+]1CCC(C)CC1 ZINC001305106512 1068174749 /nfs/dbraw/zinc/17/47/49/1068174749.db2.gz KOCKGOYQEWHZFO-OXJNMPFZSA-N 1 0 457.450 3.168 20 0 JGADRO 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JGADRO CC1CC[NH+](CCn2c(Nc3ccn(C)n3)nnc2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305113006 1068188682 /nfs/dbraw/zinc/18/86/82/1068188682.db2.gz LZLBWGHANWSPDM-HDICACEKSA-N 1 0 458.611 3.258 20 0 JGADRO C[C@H](Cc1cccs1)Cn1c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001303657844 1068189835 /nfs/dbraw/zinc/18/98/35/1068189835.db2.gz ARFZEJPFCSYFPF-LJQANCHMSA-N 1 0 458.676 3.260 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C[C@@H](C)O1 ZINC001305113811 1068190477 /nfs/dbraw/zinc/19/04/77/1068190477.db2.gz QMQSHNJQDCFULD-NJDAHSKKSA-N 1 0 497.688 3.359 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N(CCO)Cc2ccccc2)C[C@H](C)O1 ZINC001305113663 1068190540 /nfs/dbraw/zinc/19/05/40/1068190540.db2.gz VJOXOKLWHMWDLB-SZPZYZBQSA-N 1 0 478.641 3.151 20 0 JGADRO C[C@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+]1CCCCC1 ZINC001303661747 1068192838 /nfs/dbraw/zinc/19/28/38/1068192838.db2.gz AJBYUNMMSALEHR-OPYAIIAOSA-N 1 0 463.623 3.407 20 0 JGADRO C[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC001303662337 1068193241 /nfs/dbraw/zinc/19/32/41/1068193241.db2.gz DXAYYBYTDIDLIH-UXHICEINSA-N 1 0 469.634 3.441 20 0 JGADRO CC(C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305115064 1068193404 /nfs/dbraw/zinc/19/34/04/1068193404.db2.gz WCNYWTJEMHHAFV-KDURUIRLSA-N 1 0 455.651 3.313 20 0 JGADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001303662254 1068193453 /nfs/dbraw/zinc/19/34/53/1068193453.db2.gz DGRVOURNQYLNAT-AUSIDOKSSA-N 1 0 457.619 3.140 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305116841 1068196047 /nfs/dbraw/zinc/19/60/47/1068196047.db2.gz ISHSHONDGIAPPL-APWZRJJASA-N 1 0 489.462 3.495 20 0 JGADRO C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC(C)(C)C)[NH+]1CCCCC1 ZINC001303664185 1068196134 /nfs/dbraw/zinc/19/61/34/1068196134.db2.gz SFYDTZCRDUGWPP-IBGZPJMESA-N 1 0 457.623 3.441 20 0 JGADRO 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C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001303693035 1068235260 /nfs/dbraw/zinc/23/52/60/1068235260.db2.gz BKCPFOXPZMRJAZ-WOJBJXKFSA-N 1 0 488.080 3.072 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOC(C)(C)C1)[N@H+](C)C1CC1 ZINC001303693054 1068235308 /nfs/dbraw/zinc/23/53/08/1068235308.db2.gz BSKSTWRJWMZABQ-QGZVFWFLSA-N 1 0 462.042 3.023 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1)[NH+](C)C ZINC001303693571 1068236435 /nfs/dbraw/zinc/23/64/35/1068236435.db2.gz IIZIMOYDCOQTFW-OAHLLOKOSA-N 1 0 489.958 3.184 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C)C2)C1 ZINC001305141928 1068238043 /nfs/dbraw/zinc/23/80/43/1068238043.db2.gz CAXOETXLMLMFHJ-OALUTQOASA-N 1 0 477.700 3.411 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC(F)F)CC1)[NH+](C)C ZINC001303696472 1068239506 /nfs/dbraw/zinc/23/95/06/1068239506.db2.gz QAABKSCPFSRHFT-GFCCVEGCSA-N 1 0 463.396 3.106 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCCCCC2)CC(C)(C)O1 ZINC001305143457 1068242410 /nfs/dbraw/zinc/24/24/10/1068242410.db2.gz KNWQRTOHDJOUDN-LJQANCHMSA-N 1 0 475.659 3.228 20 0 JGADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC(NC(=O)c2ccsc2)CC1)[NH+](C)C ZINC001303700509 1068243968 /nfs/dbraw/zinc/24/39/68/1068243968.db2.gz FWYXPVSQGMFMPR-INIZCTEOSA-N 1 0 456.591 3.495 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)C1)[NH+]1CCCC1 ZINC001305144663 1068244885 /nfs/dbraw/zinc/24/48/85/1068244885.db2.gz RAOFSFDNYHYACF-WIYYLYMNSA-N 1 0 477.700 3.411 20 0 JGADRO C[C@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001303701652 1068245706 /nfs/dbraw/zinc/24/57/06/1068245706.db2.gz ZUYBWCKIWITMSW-MRXNPFEDSA-N 1 0 489.546 3.338 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001305145230 1068245897 /nfs/dbraw/zinc/24/58/97/1068245897.db2.gz FLCHWAHJLLGUBO-STSQHVNTSA-N 1 0 463.026 3.497 20 0 JGADRO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1)[NH+](C)C ZINC001303703839 1068248762 /nfs/dbraw/zinc/24/87/62/1068248762.db2.gz CJFFXBCBADDDDB-GOSISDBHSA-N 1 0 468.675 3.366 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C[NH+](C)C)C[C@]2(CCCOC2)O1 ZINC001305148132 1068251035 /nfs/dbraw/zinc/25/10/35/1068251035.db2.gz WBHLWULXXXDXAV-HXOBKFHXSA-N 1 0 463.026 3.356 20 0 JGADRO C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCc1ccccc1F)[NH+](C)C ZINC001303706832 1068251753 /nfs/dbraw/zinc/25/17/53/1068251753.db2.gz CBYPQXRBYKECJH-KRWDZBQOSA-N 1 0 473.622 3.006 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)CC(=O)N1C ZINC001305149583 1068253846 /nfs/dbraw/zinc/25/38/46/1068253846.db2.gz WCGDLTLZUZOKOU-OAHLLOKOSA-N 1 0 451.402 3.405 20 0 JGADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC001303708922 1068254568 /nfs/dbraw/zinc/25/45/68/1068254568.db2.gz SEGRBVWJQIWHEG-MOPGFXCFSA-N 1 0 490.578 3.272 20 0 JGADRO C[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCOC(C)(C)C)[N@H+](C)C1CC1 ZINC001303709267 1068255057 /nfs/dbraw/zinc/25/50/57/1068255057.db2.gz SLMUBDANZDIABB-MRXNPFEDSA-N 1 0 453.591 3.328 20 0 JGADRO C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccc(F)c(F)c1)[NH+](C)C ZINC001303709481 1068255612 /nfs/dbraw/zinc/25/56/12/1068255612.db2.gz UWGDHNBENZIFMD-HNNXBMFYSA-N 1 0 477.585 3.103 20 0 JGADRO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[N@H+](C)Cc1ccccc1 ZINC001303714009 1068259388 /nfs/dbraw/zinc/25/93/88/1068259388.db2.gz SNMOOCKFNGOJCV-IRLDBZIGSA-N 1 0 488.702 3.174 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)[N@H+](C)C1CC1 ZINC001303715592 1068261855 /nfs/dbraw/zinc/26/18/55/1068261855.db2.gz AESSBNGAGAOCFD-MSOLQXFVSA-N 1 0 464.680 3.429 20 0 JGADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CCC(N)=O)CC1)[N@H+](C)Cc1ccccc1 ZINC001303715168 1068261928 /nfs/dbraw/zinc/26/19/28/1068261928.db2.gz AWBGHHAOTQYUMS-NFBKMPQASA-N 1 0 468.646 3.175 20 0 JGADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)[NH+](C)C ZINC001303715727 1068262288 /nfs/dbraw/zinc/26/22/88/1068262288.db2.gz DXQRMUIHFPLJBK-GIVPXCGWSA-N 1 0 476.666 3.491 20 0 JGADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOC2(CCCC2)C1)[NH+](C)C ZINC001303717209 1068265139 /nfs/dbraw/zinc/26/51/39/1068265139.db2.gz LACAVTSPEPDJBG-LJQANCHMSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](Oc2ccccn2)C1)[NH+](C)C ZINC001303718098 1068266191 /nfs/dbraw/zinc/26/61/91/1068266191.db2.gz RDLUZZDJTYZUGW-CTNGQTDRSA-N 1 0 499.660 3.395 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001303720687 1068269647 /nfs/dbraw/zinc/26/96/47/1068269647.db2.gz ZTWXBVRHKZLZCY-QYZOEREBSA-N 1 0 464.655 3.346 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305162593 1068270408 /nfs/dbraw/zinc/27/04/08/1068270408.db2.gz KMHGGVJPYBUSEQ-HKUYNNGSSA-N 1 0 484.605 3.020 20 0 JGADRO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2ccc(F)cc2C1)[NH+](C)C ZINC001303722440 1068272204 /nfs/dbraw/zinc/27/22/04/1068272204.db2.gz AHVNKJMCCBEONQ-LAUBAEHRSA-N 1 0 488.608 3.238 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305164313 1068273479 /nfs/dbraw/zinc/27/34/79/1068273479.db2.gz UGIXWWBVFPSWRM-QUCCMNQESA-N 1 0 486.665 3.293 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305164314 1068273650 /nfs/dbraw/zinc/27/36/50/1068273650.db2.gz UGIXWWBVFPSWRM-UYAOXDASSA-N 1 0 486.665 3.293 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)S1 ZINC001305165210 1068275418 /nfs/dbraw/zinc/27/54/18/1068275418.db2.gz ZJAFKURGQIJEDN-OALUTQOASA-N 1 0 469.659 3.388 20 0 JGADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(F)cc1)[NH+](C)C ZINC001303724950 1068276785 /nfs/dbraw/zinc/27/67/85/1068276785.db2.gz QOYYLBJSFBJSPK-YLJYHZDGSA-N 1 0 476.597 3.312 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC001303725261 1068276910 /nfs/dbraw/zinc/27/69/10/1068276910.db2.gz UDEGDHKCDRKZSP-QRVBRYPASA-N 1 0 464.655 3.409 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)C(C)C ZINC001305166246 1068277182 /nfs/dbraw/zinc/27/71/82/1068277182.db2.gz XXZLDELRCYHNOP-WMZOPIPTSA-N 1 0 457.545 3.344 20 0 JGADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+](C)C ZINC001303726513 1068278729 /nfs/dbraw/zinc/27/87/29/1068278729.db2.gz FMFQGWDSKKUHGE-QVKFZJNVSA-N 1 0 457.516 3.488 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CC3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305167667 1068279009 /nfs/dbraw/zinc/27/90/09/1068279009.db2.gz OYVZJYGETJZVOO-GCJKJVERSA-N 1 0 484.645 3.494 20 0 JGADRO C[C@H]1CN(c2nnc(C3CC3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCN1CC(F)(F)F ZINC001305169843 1068279771 /nfs/dbraw/zinc/27/97/71/1068279771.db2.gz XHYLVHKSXGMCPV-SFHVURJKSA-N 1 0 480.579 3.411 20 0 JGADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001303727500 1068281204 /nfs/dbraw/zinc/28/12/04/1068281204.db2.gz FOJOUSOQMMINGP-MOPGFXCFSA-N 1 0 469.634 3.192 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305170904 1068282650 /nfs/dbraw/zinc/28/26/50/1068282650.db2.gz PMHDOXRUSPLQEH-LJQANCHMSA-N 1 0 475.682 3.017 20 0 JGADRO C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001303728910 1068284038 /nfs/dbraw/zinc/28/40/38/1068284038.db2.gz WOYCOQLHPRTFGF-HNNXBMFYSA-N 1 0 455.500 3.384 20 0 JGADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1nnc(Cc2ccccn2)n1C[C@H](C)[NH+](C)C ZINC001303728900 1068284067 /nfs/dbraw/zinc/28/40/67/1068284067.db2.gz WNYDARLABZIMLA-RBUKOAKNSA-N 1 0 463.586 3.368 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CC2CC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303731326 1068286677 /nfs/dbraw/zinc/28/66/77/1068286677.db2.gz KPKJNMLYLQQXJG-LJQANCHMSA-N 1 0 469.634 3.051 20 0 JGADRO C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001305176010 1068288374 /nfs/dbraw/zinc/28/83/74/1068288374.db2.gz QYEZLSBAXNVTCO-HOYKHHGWSA-N 1 0 494.706 3.055 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001305176360 1068288863 /nfs/dbraw/zinc/28/88/63/1068288863.db2.gz ACRCOMVVXYEJBX-NJDAHSKKSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)N(C)C(=O)OC(C)(C)C ZINC001303732755 1068289101 /nfs/dbraw/zinc/28/91/01/1068289101.db2.gz WWRHPSARNBZBJY-TZIWHRDSSA-N 1 0 469.634 3.194 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305177271 1068291053 /nfs/dbraw/zinc/29/10/53/1068291053.db2.gz DWSSQWPTFSPTQX-YSTOQKLRSA-N 1 0 488.633 3.417 20 0 JGADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1)[NH+](C)C ZINC001303734696 1068291261 /nfs/dbraw/zinc/29/12/61/1068291261.db2.gz MYVMDMUJWSNVKH-NRFANRHFSA-N 1 0 468.646 3.079 20 0 JGADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+](C)C ZINC001303735469 1068292925 /nfs/dbraw/zinc/29/29/25/1068292925.db2.gz ZFGTXXZGKQDZCI-VGSWGCGISA-N 1 0 469.552 3.379 20 0 JGADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2ccccc2Cl)C1)[NH+](C)C ZINC001303735677 1068293491 /nfs/dbraw/zinc/29/34/91/1068293491.db2.gz GJZZLZAGCBBAOS-LPHOPBHVSA-N 1 0 489.045 3.451 20 0 JGADRO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001303735725 1068293498 /nfs/dbraw/zinc/29/34/98/1068293498.db2.gz CMANFUOIPGSYGT-HXUWFJFHSA-N 1 0 478.645 3.221 20 0 JGADRO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001303737501 1068295860 /nfs/dbraw/zinc/29/58/60/1068295860.db2.gz OTVUPFBOAKWEDL-QGZVFWFLSA-N 1 0 463.026 3.155 20 0 JGADRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cnn(C)c1)[NH+](C)C ZINC001303737833 1068296362 /nfs/dbraw/zinc/29/63/62/1068296362.db2.gz QWYHANPBBABZAN-CQSZACIVSA-N 1 0 452.390 3.484 20 0 JGADRO C[C@@H](Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1C1(c2ccccc2)CCC1)[NH+](C)C ZINC001303738126 1068296988 /nfs/dbraw/zinc/29/69/88/1068296988.db2.gz JDXDTEBIWNUPJX-FQEVSTJZSA-N 1 0 467.662 3.328 20 0 JGADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(Br)C1)[N@H+](C)C1CC1 ZINC001303738577 1068298099 /nfs/dbraw/zinc/29/80/99/1068298099.db2.gz YXSSOJHHEKHKQN-CQSZACIVSA-N 1 0 479.448 3.241 20 0 JGADRO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+](C)C1CC1 ZINC001303738836 1068298689 /nfs/dbraw/zinc/29/86/89/1068298689.db2.gz VXSHQOFXJWMGSH-CVEARBPZSA-N 1 0 463.051 3.408 20 0 JGADRO C[C@H](Cn1c(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nnc1C(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001303739208 1068299387 /nfs/dbraw/zinc/29/93/87/1068299387.db2.gz PAXLIPXXRQXIBK-IFMALSPDSA-N 1 0 488.702 3.100 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)CC1COC(C)(C)OC1)[N@H+](C)C1CC1 ZINC001303739274 1068299395 /nfs/dbraw/zinc/29/93/95/1068299395.db2.gz YBBXCQPCUXPQDG-KRWDZBQOSA-N 1 0 461.582 3.314 20 0 JGADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+](C)C ZINC001303739303 1068299495 /nfs/dbraw/zinc/29/94/95/1068299495.db2.gz YIDNCLIGHQWPAP-HZPDHXFCSA-N 1 0 458.504 3.019 20 0 JGADRO C[C@@H](Cn1c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739727 1068300117 /nfs/dbraw/zinc/30/01/17/1068300117.db2.gz VRELXYKLVODNBP-GHTZIAJQSA-N 1 0 456.610 3.261 20 0 JGADRO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@]2(CCOC2)O1 ZINC001305183260 1068301007 /nfs/dbraw/zinc/30/10/07/1068301007.db2.gz JROXVPQVXRYSQG-ZBLYBZFDSA-N 1 0 485.673 3.434 20 0 JGADRO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@@]2(CCOC2)O1 ZINC001305183258 1068301021 /nfs/dbraw/zinc/30/10/21/1068301021.db2.gz JROXVPQVXRYSQG-JIPXPUAJSA-N 1 0 485.673 3.434 20 0 JGADRO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001305185113 1068302933 /nfs/dbraw/zinc/30/29/33/1068302933.db2.gz YMGIEHQURKYHJE-RBUKOAKNSA-N 1 0 462.639 3.102 20 0 JGADRO C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C[NH+]1CCCC1 ZINC001303743874 1068303496 /nfs/dbraw/zinc/30/34/96/1068303496.db2.gz FAGZZNUTAJIPIJ-QYZOEREBSA-N 1 0 472.659 3.416 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303744293 1068304346 /nfs/dbraw/zinc/30/43/46/1068304346.db2.gz HZCQEWAQRLFIHK-GHTZIAJQSA-N 1 0 475.037 3.380 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303744295 1068304585 /nfs/dbraw/zinc/30/45/85/1068304585.db2.gz HZCQEWAQRLFIHK-RXVVDRJESA-N 1 0 475.037 3.380 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305186491 1068305115 /nfs/dbraw/zinc/30/51/15/1068305115.db2.gz DXLWUPNCDLHIDC-OALUTQOASA-N 1 0 477.600 3.388 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC(C)(C)O1 ZINC001305186492 1068305276 /nfs/dbraw/zinc/30/52/76/1068305276.db2.gz DXLWUPNCDLHIDC-RBUKOAKNSA-N 1 0 477.600 3.388 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(N)=O)CC1)C[NH+]1CCCC1 ZINC001303744978 1068305718 /nfs/dbraw/zinc/30/57/18/1068305718.db2.gz FYBWNLMELADVTR-MRXNPFEDSA-N 1 0 475.435 3.141 20 0 JGADRO CC(C)OC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001303745164 1068305959 /nfs/dbraw/zinc/30/59/59/1068305959.db2.gz LPISUWIALKBSNH-IBGZPJMESA-N 1 0 455.607 3.051 20 0 JGADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)C[NH+]1CCCC1 ZINC001303745852 1068306377 /nfs/dbraw/zinc/30/63/77/1068306377.db2.gz PXRPSKWJVXFDPA-ZHALLVOQSA-N 1 0 452.525 3.152 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001305188061 1068307467 /nfs/dbraw/zinc/30/74/67/1068307467.db2.gz MKMYJDFKUDLMMG-MHECFPHRSA-N 1 0 463.573 3.262 20 0 JGADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303746779 1068307682 /nfs/dbraw/zinc/30/76/82/1068307682.db2.gz WGPFLWKBYCNMTQ-PMACEKPBSA-N 1 0 455.651 3.384 20 0 JGADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C[NH+]1CCCC1 ZINC001303746781 1068307699 /nfs/dbraw/zinc/30/76/99/1068307699.db2.gz WGPFLWKBYCNMTQ-VQTJNVASSA-N 1 0 455.651 3.384 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC001303747082 1068308281 /nfs/dbraw/zinc/30/82/81/1068308281.db2.gz ODUDPVKDOZZARM-QGZVFWFLSA-N 1 0 469.540 3.425 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc3ccccc3o2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001303747452 1068308652 /nfs/dbraw/zinc/30/86/52/1068308652.db2.gz QWMMIGNXJHZKEK-ZWKOTPCHSA-N 1 0 474.631 3.003 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)C[NH+]1CCCC1 ZINC001303747430 1068308687 /nfs/dbraw/zinc/30/86/87/1068308687.db2.gz QAZSJEOOICZLSA-SJORKVTESA-N 1 0 475.435 3.106 20 0 JGADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303747201 1068308817 /nfs/dbraw/zinc/30/88/17/1068308817.db2.gz ZOMYKGOJMFVROY-AEFFLSMTSA-N 1 0 457.541 3.252 20 0 JGADRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@H](C)C1)C[NH+]1CCCC1 ZINC001303748145 1068309154 /nfs/dbraw/zinc/30/91/54/1068309154.db2.gz XLJYIEFQQRCJEG-IAGOWNOFSA-N 1 0 465.440 3.393 20 0 JGADRO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)C[C@@H](C)S1 ZINC001305189937 1068309738 /nfs/dbraw/zinc/30/97/38/1068309738.db2.gz KCENMQZSFSLWAI-AQNXPRMDSA-N 1 0 469.721 3.167 20 0 JGADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21)C[NH+]1CCCCC1 ZINC001303750468 1068310180 /nfs/dbraw/zinc/31/01/80/1068310180.db2.gz AFXZLICYYCQVCP-IFLJBQAJSA-N 1 0 466.696 3.025 20 0 JGADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21)C[NH+]1CCCCC1 ZINC001303750471 1068310350 /nfs/dbraw/zinc/31/03/50/1068310350.db2.gz AFXZLICYYCQVCP-XDWAVFMPSA-N 1 0 466.696 3.025 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2N2CCOCC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001303750682 1068310718 /nfs/dbraw/zinc/31/07/18/1068310718.db2.gz AZYIBVVQPSRLPP-JOCHJYFZSA-N 1 0 497.688 3.011 20 0 JGADRO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC001303750730 1068310841 /nfs/dbraw/zinc/31/08/41/1068310841.db2.gz BYTISZJLWWDANE-HAGHYFMRSA-N 1 0 462.639 3.006 20 0 JGADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303751345 1068311223 /nfs/dbraw/zinc/31/12/23/1068311223.db2.gz IMJAWVQAZNVCRU-SFTDATJTSA-N 1 0 460.667 3.420 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303751195 1068311319 /nfs/dbraw/zinc/31/13/19/1068311319.db2.gz HUMPNTJFIFBTTE-XZOQPEGZSA-N 1 0 473.710 3.047 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303751193 1068311369 /nfs/dbraw/zinc/31/13/69/1068311369.db2.gz HUMPNTJFIFBTTE-GOTSBHOMSA-N 1 0 473.710 3.047 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001303751194 1068311385 /nfs/dbraw/zinc/31/13/85/1068311385.db2.gz HUMPNTJFIFBTTE-PKTZIBPZSA-N 1 0 473.710 3.047 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1nccs1)C[NH+]1CCCCC1 ZINC001303751184 1068311489 /nfs/dbraw/zinc/31/14/89/1068311489.db2.gz HRMYJRSRPOVISB-KRWDZBQOSA-N 1 0 454.604 3.140 20 0 JGADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303751332 1068311750 /nfs/dbraw/zinc/31/17/50/1068311750.db2.gz KCBWUYFYLNFVMV-VQTJNVASSA-N 1 0 499.685 3.402 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001305190341 1068311768 /nfs/dbraw/zinc/31/17/68/1068311768.db2.gz RDLRDPAUJRWBKN-PXNSSMCTSA-N 1 0 459.038 3.310 20 0 JGADRO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303751350 1068312017 /nfs/dbraw/zinc/31/20/17/1068312017.db2.gz IUMBANOIYCGOMU-GHDARCQNSA-N 1 0 489.583 3.207 20 0 JGADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)OC(C)(C)C1)C[NH+]1CCCC1 ZINC001303751568 1068312274 /nfs/dbraw/zinc/31/22/74/1068312274.db2.gz LCCJCHQIKOOGGX-ZWKOTPCHSA-N 1 0 460.648 3.005 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C[NH+]1CCCCC1 ZINC001303752247 1068312739 /nfs/dbraw/zinc/31/27/39/1068312739.db2.gz OGNKQJFJCXWEDC-IBGZPJMESA-N 1 0 495.093 3.192 20 0 JGADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303751931 1068312814 /nfs/dbraw/zinc/31/28/14/1068312814.db2.gz MZBDPBIEFHTYGT-WOJBJXKFSA-N 1 0 487.649 3.125 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1)C[NH+]1CCCCC1 ZINC001303752034 1068312971 /nfs/dbraw/zinc/31/29/71/1068312971.db2.gz DGTJPFMOPNQGGP-PMACEKPBSA-N 1 0 462.639 3.309 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303752479 1068313339 /nfs/dbraw/zinc/31/33/39/1068313339.db2.gz HAGCABXHCUAKJD-DNRQZRRGSA-N 1 0 463.667 3.444 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC001303752438 1068313430 /nfs/dbraw/zinc/31/34/30/1068313430.db2.gz GJGSZVIEYOXLBX-IFMALSPDSA-N 1 0 483.661 3.489 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@H](C(F)(F)F)O1 ZINC001305191161 1068313267 /nfs/dbraw/zinc/31/32/67/1068313267.db2.gz HKVRIHPOPWDJNC-IEBWSBKVSA-N 1 0 452.525 3.296 20 0 JGADRO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CC=CCC2)C[C@@H](C(F)(F)F)O1 ZINC001305191748 1068313778 /nfs/dbraw/zinc/31/37/78/1068313778.db2.gz MBVZFRRERAVVCW-APWZRJJASA-N 1 0 453.484 3.426 20 0 JGADRO CC(C)O[C@]1(c2nnc(N(C)CC3CCOCC3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303753204 1068314643 /nfs/dbraw/zinc/31/46/43/1068314643.db2.gz LYBJXVFQCBFLLM-PXDATVDWSA-N 1 0 463.667 3.304 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001305192077 1068315093 /nfs/dbraw/zinc/31/50/93/1068315093.db2.gz MWJQJOLLFSZORR-HKUYNNGSSA-N 1 0 452.525 3.296 20 0 JGADRO C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC001303753083 1068314999 /nfs/dbraw/zinc/31/49/99/1068314999.db2.gz RDCVRENYTCDMOQ-OAQYLSRUSA-N 1 0 455.651 3.009 20 0 JGADRO 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COC[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCN(C(=O)OC(C)(C)C)C1 ZINC001303773405 1068352508 /nfs/dbraw/zinc/35/25/08/1068352508.db2.gz GAUABRMIESOIJR-TVZXLZGTSA-N 1 0 457.615 3.241 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001305218139 1068355134 /nfs/dbraw/zinc/35/51/34/1068355134.db2.gz XEZLLVXIFYIYSO-YJBOKZPZSA-N 1 0 459.488 3.492 20 0 JGADRO C[C@H]1C[N@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)C[C@@H]2CCOC2)CCCO1 ZINC001305219333 1068356509 /nfs/dbraw/zinc/35/65/09/1068356509.db2.gz AWIJEOARBGQMIY-PMACEKPBSA-N 1 0 478.037 3.484 20 0 JGADRO C[C@@H]1C[NH+](CCCn2c(N3CCN(c4cccc(O)c4)CC3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305220466 1068358525 /nfs/dbraw/zinc/35/85/25/1068358525.db2.gz FYJBONYXWLSPDW-WOJBJXKFSA-N 1 0 456.635 3.107 20 0 JGADRO C[C@@H]1C[N@@H+](CCCn2c(N(C)C[C@@H]3COc4ccccc4O3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305221281 1068359336 /nfs/dbraw/zinc/35/93/36/1068359336.db2.gz IQDXRAWBHCVXIV-HSALFYBXSA-N 1 0 457.619 3.351 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(Cc2c(F)cccc2F)n1CCCCCS(C)(=O)=O ZINC001305221602 1068360494 /nfs/dbraw/zinc/36/04/94/1068360494.db2.gz IEFGGWJWTOTEDC-ROUUACIJSA-N 1 0 481.613 3.035 20 0 JGADRO CC(C)c1ccnc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001305221627 1068360646 /nfs/dbraw/zinc/36/06/46/1068360646.db2.gz KVXRBPLXYVMMIJ-OYRHEFFESA-N 1 0 484.693 3.315 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(CC2CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305221577 1068360736 /nfs/dbraw/zinc/36/07/36/1068360736.db2.gz IDKOYPPIMNFCNH-RDJZCZTQSA-N 1 0 454.566 3.064 20 0 JGADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305221776 1068361274 /nfs/dbraw/zinc/36/12/74/1068361274.db2.gz MBKGRUFWFMSWRV-VNTMZGSJSA-N 1 0 478.682 3.424 20 0 JGADRO C[C@H]1C[N@H+](CCCn2c(CCc3ccccc3)nnc2N(C)C[C@@H]2CCCOC2)CCCO1 ZINC001305221709 1068361585 /nfs/dbraw/zinc/36/15/85/1068361585.db2.gz LDTRNTRYULKFRH-UPVQGACJSA-N 1 0 455.647 3.427 20 0 JGADRO CC(F)(F)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303782225 1068361705 /nfs/dbraw/zinc/36/17/05/1068361705.db2.gz KFGWJBXDCKRZBY-HNNXBMFYSA-N 1 0 473.366 3.382 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC001305222718 1068363431 /nfs/dbraw/zinc/36/34/31/1068363431.db2.gz QFIQVCWYJKUTIP-VNXMGFANSA-N 1 0 463.667 3.311 20 0 JGADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCCOC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001305224154 1068366258 /nfs/dbraw/zinc/36/62/58/1068366258.db2.gz QORGDQWTJPTATF-FGTMMUONSA-N 1 0 484.592 3.005 20 0 JGADRO C[C@@H]1C[NH+](CCCn2c(Nc3cnn(C)c3)nnc2-c2cc(Br)c[nH]2)C[C@@H](C)O1 ZINC001305224687 1068367693 /nfs/dbraw/zinc/36/76/93/1068367693.db2.gz YLURDXLZPAWKQE-ZIAGYGMSSA-N 1 0 463.384 3.012 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1)C(F)(F)F ZINC001303787518 1068368743 /nfs/dbraw/zinc/36/87/43/1068368743.db2.gz GALDFYJPBYLGTO-YLJYHZDGSA-N 1 0 476.551 3.054 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCCC2)CC1)C(F)(F)F ZINC001303788818 1068371175 /nfs/dbraw/zinc/37/11/75/1068371175.db2.gz PRDRWCQTRDOANY-KRWDZBQOSA-N 1 0 453.557 3.231 20 0 JGADRO C[C@@H]1COCC[C@@H]1Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(F)(F)F ZINC001305226731 1068371444 /nfs/dbraw/zinc/37/14/44/1068371444.db2.gz IWVAXCWOLFIOCN-WOJBJXKFSA-N 1 0 480.579 3.314 20 0 JGADRO C[C@H]1COCCN1c1nnc(-c2ccc(Br)s2)n1CC1([NH+](C)C)CCOCC1 ZINC001305227438 1068371808 /nfs/dbraw/zinc/37/18/08/1068371808.db2.gz GWHRADGUOMKUEH-AWEZNQCLSA-N 1 0 470.437 3.105 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1)C(F)(F)F ZINC001303789062 1068372045 /nfs/dbraw/zinc/37/20/45/1068372045.db2.gz QVUNVBMUKBDABO-RDJZCZTQSA-N 1 0 480.564 3.172 20 0 JGADRO C[C@@H]1COCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305229233 1068373786 /nfs/dbraw/zinc/37/37/86/1068373786.db2.gz QNBXLXGHYSFQSP-MOPGFXCFSA-N 1 0 474.675 3.253 20 0 JGADRO C[C@@H]1COCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001305230300 1068375431 /nfs/dbraw/zinc/37/54/31/1068375431.db2.gz SGYDDWRVPSNNPF-UXHICEINSA-N 1 0 496.578 3.028 20 0 JGADRO C[C@H](N1CCN(c2nnc(CC3CCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1)C(F)(F)F ZINC001303792777 1068377262 /nfs/dbraw/zinc/37/72/62/1068377262.db2.gz LRLIWBUZCHJWON-IBGZPJMESA-N 1 0 485.643 3.110 20 0 JGADRO C[C@H](N1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C[NH+](C)C)c2)CC1)C(F)(F)F ZINC001303793524 1068378773 /nfs/dbraw/zinc/37/87/73/1068378773.db2.gz UHPWQQLJIKPAEY-IBGZPJMESA-N 1 0 487.574 3.447 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001303794457 1068379773 /nfs/dbraw/zinc/37/97/73/1068379773.db2.gz BPJJMMILPUPDKR-PCCBWWKXSA-N 1 0 474.650 3.174 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)F)CC1)c1ccccc1 ZINC001303794904 1068381235 /nfs/dbraw/zinc/38/12/35/1068381235.db2.gz BTEDXSADTOJOGP-GOSISDBHSA-N 1 0 472.588 3.195 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303796979 1068386156 /nfs/dbraw/zinc/38/61/56/1068386156.db2.gz JQMJPSNBEMOENL-SVFBPWRDSA-N 1 0 471.650 3.344 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC1(C)C)c1ccccc1 ZINC001303797056 1068386438 /nfs/dbraw/zinc/38/64/38/1068386438.db2.gz KLNWDHZSWRLUBG-MSOLQXFVSA-N 1 0 462.664 3.397 20 0 JGADRO C[C@H]1CSCCN1c1nnc(Cc2ccncc2)n1Cc1ccccc1OCC[NH+](C)C ZINC001305236825 1068386758 /nfs/dbraw/zinc/38/67/58/1068386758.db2.gz BGWUUFYWAPSAKC-IBGZPJMESA-N 1 0 452.628 3.194 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001303797790 1068388500 /nfs/dbraw/zinc/38/85/00/1068388500.db2.gz NRNKRGZSXYFMQW-IAGOWNOFSA-N 1 0 484.617 3.253 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2([NH+](C)C)CCC2)C1 ZINC001303797828 1068388949 /nfs/dbraw/zinc/38/89/49/1068388949.db2.gz OAJZUKKTFMXXKL-IPMKNSEASA-N 1 0 462.639 3.353 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001303799135 1068391558 /nfs/dbraw/zinc/39/15/58/1068391558.db2.gz SBXUBGQAYLWQJC-ZCNNSNEGSA-N 1 0 478.682 3.499 20 0 JGADRO C[C@H]1CSCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCCC1 ZINC001305241894 1068392513 /nfs/dbraw/zinc/39/25/13/1068392513.db2.gz VCMJTJMLEAZFHR-GBESFXJTSA-N 1 0 464.680 3.476 20 0 JGADRO C[C@H]1CSCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001305242722 1068393638 /nfs/dbraw/zinc/39/36/38/1068393638.db2.gz YWCINCQNJSGYDJ-XUVXKRRUSA-N 1 0 451.681 3.251 20 0 JGADRO C[C@H]1N(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCSCC2)CCOC1(C)C ZINC001305242661 1068393806 /nfs/dbraw/zinc/39/38/06/1068393806.db2.gz YQSMFWSEVUPIGW-CQSZACIVSA-N 1 0 469.453 3.088 20 0 JGADRO C[C@H]1N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)CCOC1(C)C ZINC001305244929 1068397486 /nfs/dbraw/zinc/39/74/86/1068397486.db2.gz PZHSPZMVYYKCBA-WOJBJXKFSA-N 1 0 476.666 3.492 20 0 JGADRO C[C@@H]1N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(F)(F)F)CCOC1(C)C ZINC001305245108 1068397997 /nfs/dbraw/zinc/39/79/97/1068397997.db2.gz ZJIACQGAWSPRAK-SFHVURJKSA-N 1 0 466.552 3.209 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC001303802918 1068400624 /nfs/dbraw/zinc/40/06/24/1068400624.db2.gz FZBFHMXHEPJYMU-LJQANCHMSA-N 1 0 476.691 3.078 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303803765 1068403260 /nfs/dbraw/zinc/40/32/60/1068403260.db2.gz OXYXJPVUKZAGAE-ABSDTBQOSA-N 1 0 480.654 3.345 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOCC1)c1ccccc1 ZINC001303804120 1068403893 /nfs/dbraw/zinc/40/38/93/1068403893.db2.gz RFGJFOOGTXFKEP-SFHVURJKSA-N 1 0 468.627 3.236 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CC[N@H+](C)C1CCCCC1 ZINC001303805492 1068408860 /nfs/dbraw/zinc/40/88/60/1068408860.db2.gz DMPVGPKHPZYCQO-XMSQKQJNSA-N 1 0 474.675 3.277 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001303805516 1068408888 /nfs/dbraw/zinc/40/88/88/1068408888.db2.gz ZCPJTVSPXZSLNO-LNLFQRSKSA-N 1 0 476.672 3.450 20 0 JGADRO C[C@@H]1[C@H](C)SCCN1c1nnc([C@H]2CCCCO2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305250417 1068409177 /nfs/dbraw/zinc/40/91/77/1068409177.db2.gz AMKVERIYSQXEDK-SVFBPWRDSA-N 1 0 450.697 3.124 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN1CCOCC1)c1ccccc1 ZINC001303805850 1068409640 /nfs/dbraw/zinc/40/96/40/1068409640.db2.gz ZMXKKUPTIMNKJD-GGAORHGYSA-N 1 0 470.662 3.418 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CC1(C)CCC1 ZINC001303806754 1068412114 /nfs/dbraw/zinc/41/21/14/1068412114.db2.gz LQIFTYDIMSQWHK-LJQANCHMSA-N 1 0 474.675 3.179 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1CC1CC[NH+](C2CC2)CC1 ZINC001303812368 1068422447 /nfs/dbraw/zinc/42/24/47/1068422447.db2.gz XXJBGXJECGUNEI-INIZCTEOSA-N 1 0 481.066 3.053 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1CC1([NH+](C)C)CCCCC1 ZINC001303812349 1068422478 /nfs/dbraw/zinc/42/24/78/1068422478.db2.gz XNYVZAQIMFQUBS-INIZCTEOSA-N 1 0 484.617 3.067 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001305260996 1068427991 /nfs/dbraw/zinc/42/79/91/1068427991.db2.gz CFQIXRDQEDWVLU-FCHUYYIVSA-N 1 0 453.635 3.346 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccs2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303815694 1068428348 /nfs/dbraw/zinc/42/83/48/1068428348.db2.gz QQDIPNNUSFUONK-IEBWSBKVSA-N 1 0 480.704 3.383 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001303817851 1068430754 /nfs/dbraw/zinc/43/07/54/1068430754.db2.gz UCENLLVKCUTFOF-IEBWSBKVSA-N 1 0 480.704 3.413 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCCCC2)C1 ZINC001305261471 1068430730 /nfs/dbraw/zinc/43/07/30/1068430730.db2.gz AFQAQEZYNVXCFY-HSZRJFAPSA-N 1 0 452.647 3.434 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001305264029 1068440412 /nfs/dbraw/zinc/44/04/12/1068440412.db2.gz HQOWYTMUJNLEKO-YPAWHYETSA-N 1 0 460.667 3.035 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC001305264391 1068441718 /nfs/dbraw/zinc/44/17/18/1068441718.db2.gz FPIOUIPRVWFUFS-TUACAJSNSA-N 1 0 482.673 3.292 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001305264983 1068444134 /nfs/dbraw/zinc/44/41/34/1068444134.db2.gz JOZQSJNDFLJSEG-MISYRCLQSA-N 1 0 460.648 3.032 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001305264975 1068444263 /nfs/dbraw/zinc/44/42/63/1068444263.db2.gz JOZQSJNDFLJSEG-DFQSSKMNSA-N 1 0 460.648 3.032 20 0 JGADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccoc2CC(C)(C)C1)C(C)C ZINC001303827094 1068445479 /nfs/dbraw/zinc/44/54/79/1068445479.db2.gz NHDCXPITLZKQSI-SFHVURJKSA-N 1 0 480.679 3.189 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305265721 1068446716 /nfs/dbraw/zinc/44/67/16/1068446716.db2.gz MPCIHMHDOIVUBG-WOJBJXKFSA-N 1 0 484.645 3.189 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303827780 1068447704 /nfs/dbraw/zinc/44/77/04/1068447704.db2.gz JQLOZINDUIWLNZ-WSTZPKSXSA-N 1 0 468.712 3.271 20 0 JGADRO CC(C)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303828309 1068448883 /nfs/dbraw/zinc/44/88/83/1068448883.db2.gz MXTYFPXMMWEFQX-GHTZIAJQSA-N 1 0 462.664 3.064 20 0 JGADRO CC(C)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303828311 1068448930 /nfs/dbraw/zinc/44/89/30/1068448930.db2.gz MXTYFPXMMWEFQX-NQIIRXRSSA-N 1 0 462.664 3.064 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCCC2)C1 ZINC001305266282 1068449487 /nfs/dbraw/zinc/44/94/87/1068449487.db2.gz ONLRMMXFDPYGOZ-FQEVSTJZSA-N 1 0 454.619 3.325 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C1 ZINC001305266434 1068449519 /nfs/dbraw/zinc/44/95/19/1068449519.db2.gz RWDDSCNMSXREEE-LJQANCHMSA-N 1 0 475.435 3.298 20 0 JGADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303829260 1068452183 /nfs/dbraw/zinc/45/21/83/1068452183.db2.gz RDSKSBHJEVIOLO-RTBURBONSA-N 1 0 462.664 3.035 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001303829258 1068452212 /nfs/dbraw/zinc/45/22/12/1068452212.db2.gz RDSKSBHJEVIOLO-RBUKOAKNSA-N 1 0 462.664 3.035 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001303830029 1068453354 /nfs/dbraw/zinc/45/33/54/1068453354.db2.gz HFEOOALNHIAQEW-PMACEKPBSA-N 1 0 488.702 3.405 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001303830428 1068454046 /nfs/dbraw/zinc/45/40/46/1068454046.db2.gz YEBGVJHKLKLEFQ-IBGZPJMESA-N 1 0 474.675 3.159 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303830950 1068456054 /nfs/dbraw/zinc/45/60/54/1068456054.db2.gz MRXJGYQHEMUZGM-UYAOXDASSA-N 1 0 492.665 3.143 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001305269442 1068462203 /nfs/dbraw/zinc/46/22/03/1068462203.db2.gz PWIYYQGRAWXZLW-XZOQPEGZSA-N 1 0 468.646 3.167 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CCC1CC1 ZINC001303835131 1068463979 /nfs/dbraw/zinc/46/39/79/1068463979.db2.gz WGILODNGJOHFOS-MOPGFXCFSA-N 1 0 466.696 3.169 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001305270070 1068464271 /nfs/dbraw/zinc/46/42/71/1068464271.db2.gz VWYMVNKMARTLTQ-OFNKIYASSA-N 1 0 461.614 3.356 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H]1CCCSC1 ZINC001303836207 1068465253 /nfs/dbraw/zinc/46/52/53/1068465253.db2.gz JTKNLCLKEPNFAY-CTNGQTDRSA-N 1 0 498.763 3.124 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001305270813 1068466846 /nfs/dbraw/zinc/46/68/46/1068466846.db2.gz UFRZBXJUUYAVGB-FQEVSTJZSA-N 1 0 453.635 3.266 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001305270785 1068466873 /nfs/dbraw/zinc/46/68/73/1068466873.db2.gz TZAOWZQBUCKJDZ-QHCPKHFHSA-N 1 0 478.645 3.064 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001303837645 1068467654 /nfs/dbraw/zinc/46/76/54/1068467654.db2.gz AWEVIJVSQCGNAS-QFBILLFUSA-N 1 0 498.719 3.037 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001305271474 1068468517 /nfs/dbraw/zinc/46/85/17/1068468517.db2.gz ZMYYSFMGHMJKRB-HWHXTQLESA-N 1 0 453.635 3.346 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc32)n1CCCCC[NH+]1CCCCC1 ZINC001303843309 1068473476 /nfs/dbraw/zinc/47/34/76/1068473476.db2.gz IPNJDUWRLYMSQI-IBGZPJMESA-N 1 0 460.648 3.239 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CCC1 ZINC001303843722 1068474445 /nfs/dbraw/zinc/47/44/45/1068474445.db2.gz ZRYHGGWTPLENCU-QGZVFWFLSA-N 1 0 488.649 3.024 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001305273484 1068475312 /nfs/dbraw/zinc/47/53/12/1068475312.db2.gz YLJLEGAUOCEZLP-UYAOXDASSA-N 1 0 475.037 3.347 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001303843994 1068475295 /nfs/dbraw/zinc/47/52/95/1068475295.db2.gz CRFLZQGJPWKKBZ-DFQSSKMNSA-N 1 0 496.628 3.207 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@H]2C1)C(C)C ZINC001303846520 1068480535 /nfs/dbraw/zinc/48/05/35/1068480535.db2.gz SPWOZXNDALTAQV-HBMCJLEFSA-N 1 0 468.712 3.414 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC=C(c3ccccc3)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001303847271 1068481685 /nfs/dbraw/zinc/48/16/85/1068481685.db2.gz VAOQKCVWFDMWKB-RTWAWAEBSA-N 1 0 486.686 3.447 20 0 JGADRO CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001305279362 1068482231 /nfs/dbraw/zinc/48/22/31/1068482231.db2.gz NIAJYURSQYNERA-TZIWHRDSSA-N 1 0 476.691 3.425 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+](CC)CC)C1 ZINC001305279870 1068482654 /nfs/dbraw/zinc/48/26/54/1068482654.db2.gz UZUYTCPOXQSDAW-TUNNFDKTSA-N 1 0 462.683 3.424 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCCC3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001303850958 1068487332 /nfs/dbraw/zinc/48/73/32/1068487332.db2.gz ACNDDIPUORGLPA-LJQANCHMSA-N 1 0 466.696 3.313 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001303851353 1068489011 /nfs/dbraw/zinc/48/90/11/1068489011.db2.gz DBMMRZCOMZFDMB-FXAWDEMLSA-N 1 0 466.627 3.101 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2CCC[C@@H]21)C(C)C ZINC001303851845 1068490945 /nfs/dbraw/zinc/49/09/45/1068490945.db2.gz IRLZDPMJAJFVPJ-UFYCRDLUSA-N 1 0 454.685 3.166 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccccc2)n1CC[N@H+](C)C1CCCC1 ZINC001303853151 1068493098 /nfs/dbraw/zinc/49/30/98/1068493098.db2.gz NZSMRGWOAPUASD-RXVVDRJESA-N 1 0 460.648 3.104 20 0 JGADRO CC[C@@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001305290233 1068493082 /nfs/dbraw/zinc/49/30/82/1068493082.db2.gz VHYXULTXXZALEL-UMEGOILYSA-N 1 0 475.609 3.267 20 0 JGADRO CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001305290656 1068493736 /nfs/dbraw/zinc/49/37/36/1068493736.db2.gz ZKXHHYIFMPSAOU-VWLOTQADSA-N 1 0 454.619 3.373 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccsc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303856367 1068496388 /nfs/dbraw/zinc/49/63/88/1068496388.db2.gz VHLYDLRMMXCIBK-UHOSZYNNSA-N 1 0 480.704 3.412 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cccc(Cl)c1 ZINC001303857739 1068498129 /nfs/dbraw/zinc/49/81/29/1068498129.db2.gz KELYNAUGVCIKQT-QGZVFWFLSA-N 1 0 481.066 3.045 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305294337 1068500248 /nfs/dbraw/zinc/50/02/48/1068500248.db2.gz NRJIFHMRIGQSCI-RHGYRFJNSA-N 1 0 477.053 3.480 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(C)CCCC1 ZINC001303865167 1068502030 /nfs/dbraw/zinc/50/20/30/1068502030.db2.gz NOHHTXJCZVCWOU-GOSISDBHSA-N 1 0 454.685 3.027 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305295457 1068502433 /nfs/dbraw/zinc/50/24/33/1068502433.db2.gz QOIJNKXAYXGGKG-MGPUTAFESA-N 1 0 484.464 3.231 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303874886 1068509176 /nfs/dbraw/zinc/50/91/76/1068509176.db2.gz FKUAMYNCTBFOER-RBUKOAKNSA-N 1 0 498.763 3.265 20 0 JGADRO C[C@](O)(C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1)C(F)(F)F ZINC001303876228 1068510720 /nfs/dbraw/zinc/51/07/20/1068510720.db2.gz DNFPHIWHSWNKTP-MBSDFSHPSA-N 1 0 499.553 3.461 20 0 JGADRO CC[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001305301924 1068510925 /nfs/dbraw/zinc/51/09/25/1068510925.db2.gz VVYNOSSTVGRHRB-YASKCIBGSA-N 1 0 476.666 3.227 20 0 JGADRO C[C@@](O)(C1CCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303877933 1068512381 /nfs/dbraw/zinc/51/23/81/1068512381.db2.gz AYDVQCOHXUKWQE-OAQYLSRUSA-N 1 0 452.525 3.356 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303877706 1068512599 /nfs/dbraw/zinc/51/25/99/1068512599.db2.gz VMSQUCVRTMKAOG-ROUUACIJSA-N 1 0 496.703 3.040 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C(C)C ZINC001303878090 1068512989 /nfs/dbraw/zinc/51/29/89/1068512989.db2.gz QJAGOYCILGJXOW-IXDOHACOSA-N 1 0 482.617 3.032 20 0 JGADRO CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001305306194 1068513750 /nfs/dbraw/zinc/51/37/50/1068513750.db2.gz HSBXBOOHVXOIFR-UUOWRZLLSA-N 1 0 462.038 3.373 20 0 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3.283 20 0 JGADRO CCC(CC)[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)OC ZINC001305701841 1069083203 /nfs/dbraw/zinc/08/32/03/1069083203.db2.gz JNELEGILMQKQCT-FSSWDIPSSA-N 1 0 481.707 3.086 20 0 JGADRO CCC(CC)[C@@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001305701639 1069083310 /nfs/dbraw/zinc/08/33/10/1069083310.db2.gz HWFLRFXSLLPKTC-FGZHOGPDSA-N 1 0 460.667 3.130 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001305703322 1069086962 /nfs/dbraw/zinc/08/69/62/1069086962.db2.gz HLJCCSXNISAXIU-QHCPKHFHSA-N 1 0 482.673 3.316 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001305704087 1069089651 /nfs/dbraw/zinc/08/96/51/1069089651.db2.gz KCAOTGRFJRSAMP-SFHVURJKSA-N 1 0 463.424 3.010 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1)[NH+]1CCOCC1 ZINC001305705703 1069093937 /nfs/dbraw/zinc/09/39/37/1069093937.db2.gz QYWLWURYXLCAPF-KCWPFWIISA-N 1 0 498.672 3.053 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001305705564 1069094181 /nfs/dbraw/zinc/09/41/81/1069094181.db2.gz KYSDPAJMRRVPKF-NWSQWKLXSA-N 1 0 488.652 3.444 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)C2CC2)CC1)[NH+](C)C ZINC001305706323 1069095108 /nfs/dbraw/zinc/09/51/08/1069095108.db2.gz MGFZGEGXKRREIE-QFIPXVFZSA-N 1 0 453.635 3.202 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+]1CCOCC1 ZINC001305706478 1069095170 /nfs/dbraw/zinc/09/51/70/1069095170.db2.gz VCQLTNBPEHLABB-GHTZIAJQSA-N 1 0 461.680 3.063 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1)[NH+](C)C ZINC001305706735 1069096268 /nfs/dbraw/zinc/09/62/68/1069096268.db2.gz PBCFDCHWRDWWSN-QFBILLFUSA-N 1 0 482.720 3.269 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001305707141 1069097418 /nfs/dbraw/zinc/09/74/18/1069097418.db2.gz QIQBJBKZHQQUMD-AZUAARDMSA-N 1 0 493.697 3.228 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1)[NH+](C)C ZINC001305708328 1069099953 /nfs/dbraw/zinc/09/99/53/1069099953.db2.gz VYAGSWGRPSNXCU-NRFANRHFSA-N 1 0 493.660 3.061 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C(N)=O)CC1)[NH+](C)C ZINC001305708077 1069100021 /nfs/dbraw/zinc/10/00/21/1069100021.db2.gz UUWANLRHJJWEML-QFIPXVFZSA-N 1 0 483.661 3.215 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1)[NH+](C)C ZINC001305708414 1069100445 /nfs/dbraw/zinc/10/04/45/1069100445.db2.gz VKCNDFCDRMGDHD-PXDATVDWSA-N 1 0 456.635 3.481 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001305708531 1069101274 /nfs/dbraw/zinc/10/12/74/1069101274.db2.gz KIAUMRDLGKSEJW-HJNYFJLDSA-N 1 0 498.672 3.291 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C)[NH+]1CCOCC1 ZINC001305709121 1069102662 /nfs/dbraw/zinc/10/26/62/1069102662.db2.gz ACBXPRRZIDPTMK-DHIUTWEWSA-N 1 0 468.646 3.311 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC(C)CC1)[NH+]1CCOCC1 ZINC001305709286 1069103345 /nfs/dbraw/zinc/10/33/45/1069103345.db2.gz CARJARDVQHGEAV-HRAFCDAUSA-N 1 0 460.667 3.381 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305709321 1069104244 /nfs/dbraw/zinc/10/42/44/1069104244.db2.gz OPQWKFNERUNWQA-JTHBVZDNSA-N 1 0 485.629 3.090 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cncn2)C1)[NH+](C)C ZINC001305709890 1069106075 /nfs/dbraw/zinc/10/60/75/1069106075.db2.gz BYEYZPISWXUPJP-VXKWHMMOSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccs1)[NH+]1CCOCC1 ZINC001305709862 1069106167 /nfs/dbraw/zinc/10/61/67/1069106167.db2.gz GYRIFEXIAJJIKQ-PMACEKPBSA-N 1 0 460.648 3.064 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1)[NH+](C)C ZINC001305709918 1069106194 /nfs/dbraw/zinc/10/61/94/1069106194.db2.gz CCQAMBUSBQDZOW-FCHUYYIVSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)[NH+](C)C ZINC001305710397 1069107810 /nfs/dbraw/zinc/10/78/10/1069107810.db2.gz GEVAXZHDDHZZBV-QFIPXVFZSA-N 1 0 454.667 3.330 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305710934 1069108908 /nfs/dbraw/zinc/10/89/08/1069108908.db2.gz JHQMSWHMKFETJT-UVWWXKGLSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1)[NH+](C)C ZINC001305711169 1069110069 /nfs/dbraw/zinc/11/00/69/1069110069.db2.gz AXDXOPRHYHWUIF-RTBURBONSA-N 1 0 465.689 3.171 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1)[NH+](C)C ZINC001305711168 1069110101 /nfs/dbraw/zinc/11/01/01/1069110101.db2.gz AXDXOPRHYHWUIF-RBUKOAKNSA-N 1 0 465.689 3.171 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC)CC1)[NH+]1CCOCC1 ZINC001305711348 1069110458 /nfs/dbraw/zinc/11/04/58/1069110458.db2.gz LHABPJZFCCOYKX-JOCHJYFZSA-N 1 0 476.666 3.036 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305711541 1069110477 /nfs/dbraw/zinc/11/04/77/1069110477.db2.gz OPZIMPYCLNZOIS-UNMCSNQZSA-N 1 0 476.691 3.418 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001305711475 1069110569 /nfs/dbraw/zinc/11/05/69/1069110569.db2.gz BWSGCNPODCNVLD-XZOQPEGZSA-N 1 0 483.661 3.244 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001305711682 1069111027 /nfs/dbraw/zinc/11/10/27/1069111027.db2.gz NNFQCFBUKMFPDO-DHIUTWEWSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cncn2)C1)[NH+](C)C ZINC001305711716 1069111143 /nfs/dbraw/zinc/11/11/43/1069111143.db2.gz NZRJHZCGVMIIPG-FCHUYYIVSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C)(COC)CC1)[NH+]1CCOCC1 ZINC001305711731 1069111542 /nfs/dbraw/zinc/11/15/42/1069111542.db2.gz CQJVVCMCUYJGNJ-FGZHOGPDSA-N 1 0 463.667 3.172 20 0 JGADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C2CCOCC2)C1)[NH+](C)C ZINC001305712270 1069112415 /nfs/dbraw/zinc/11/24/15/1069112415.db2.gz BDERBACJOMOKDJ-YADHBBJMSA-N 1 0 460.667 3.020 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C)CC1)[NH+](C)C ZINC001305712592 1069112429 /nfs/dbraw/zinc/11/24/29/1069112429.db2.gz UHMMTCZNNABDLD-FYYLOGMGSA-N 1 0 467.662 3.231 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2ccc(F)cc2C1)[NH+](C)C ZINC001305712802 1069113069 /nfs/dbraw/zinc/11/30/69/1069113069.db2.gz CRSGITYKAUPEEY-JOCHJYFZSA-N 1 0 456.610 3.469 20 0 JGADRO CCC(CC)[C@@H](Cn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305712797 1069113136 /nfs/dbraw/zinc/11/31/36/1069113136.db2.gz CRGXFFGGNUUFRN-FCHUYYIVSA-N 1 0 476.710 3.454 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305712864 1069113968 /nfs/dbraw/zinc/11/39/68/1069113968.db2.gz SJPSGEKFPMMWJE-SEIBCYHCSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(F)cc(F)c2C1)[NH+](C)C ZINC001305713553 1069115979 /nfs/dbraw/zinc/11/59/79/1069115979.db2.gz YFLUBELLXQHVCZ-NHCUHLMSSA-N 1 0 460.573 3.437 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@H](C)C1)[NH+](C)C ZINC001305713572 1069115980 /nfs/dbraw/zinc/11/59/80/1069115980.db2.gz YMWKVBZYRLANIK-UIFIKXQLSA-N 1 0 454.619 3.383 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)[NH+](C)C ZINC001305713471 1069116001 /nfs/dbraw/zinc/11/60/01/1069116001.db2.gz JAXSNSSLXNTVLU-FGZHOGPDSA-N 1 0 461.676 3.491 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001305713687 1069116457 /nfs/dbraw/zinc/11/64/57/1069116457.db2.gz ZAKUBQFFQSDMBH-JTSKRJEESA-N 1 0 451.619 3.460 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(=O)OC)CC1)[NH+](C)C ZINC001305714165 1069117082 /nfs/dbraw/zinc/11/70/82/1069117082.db2.gz ZJEDIXIXZGHPCC-NRFANRHFSA-N 1 0 495.628 3.350 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1)[NH+](C)C ZINC001305714516 1069118435 /nfs/dbraw/zinc/11/84/35/1069118435.db2.gz YFKYACBAHXQKMS-BWKNWUBXSA-N 1 0 472.609 3.405 20 0 JGADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCCCCCC1)[NH+]1CCOCC1 ZINC001305714667 1069118459 /nfs/dbraw/zinc/11/84/59/1069118459.db2.gz KHZQHFHMKSYPCT-JOCHJYFZSA-N 1 0 460.667 3.308 20 0 JGADRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCOCC1 ZINC001305714693 1069118510 /nfs/dbraw/zinc/11/85/10/1069118510.db2.gz YPUUDEMNMHISEG-QHCPKHFHSA-N 1 0 474.694 3.110 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305714825 1069119027 /nfs/dbraw/zinc/11/90/27/1069119027.db2.gz ZCDXIJHYECOAJV-SEIBCYHCSA-N 1 0 470.662 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2noc(C)n2)CC1)[NH+](C)C ZINC001305715992 1069121654 /nfs/dbraw/zinc/12/16/54/1069121654.db2.gz OBPSBJRNPVVXCU-FCHUYYIVSA-N 1 0 488.681 3.290 20 0 JGADRO 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CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCc1nccs1 ZINC001305757026 1069212936 /nfs/dbraw/zinc/21/29/36/1069212936.db2.gz PUFBLDUZCHRFDA-UHFFFAOYSA-N 1 0 459.664 3.350 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305758983 1069219244 /nfs/dbraw/zinc/21/92/44/1069219244.db2.gz NHRVWRAFZUVZMW-SIBVEZHUSA-N 1 0 486.636 3.165 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001305759459 1069221533 /nfs/dbraw/zinc/22/15/33/1069221533.db2.gz QGGPTDRLCAJBSK-UHFFFAOYSA-N 1 0 459.639 3.497 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001305760144 1069223450 /nfs/dbraw/zinc/22/34/50/1069223450.db2.gz UIFBTIVRIQEKBJ-FQEVSTJZSA-N 1 0 496.704 3.341 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305760646 1069225587 /nfs/dbraw/zinc/22/55/87/1069225587.db2.gz CETAPIAVBHAEKA-GOSISDBHSA-N 1 0 454.619 3.197 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001305762527 1069230908 /nfs/dbraw/zinc/23/09/08/1069230908.db2.gz SZNCMUGWRHCWOU-NRFANRHFSA-N 1 0 454.619 3.339 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001305765573 1069236194 /nfs/dbraw/zinc/23/61/94/1069236194.db2.gz WFEAVPJEQLSRTD-SJBKTWHCSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001305765574 1069236333 /nfs/dbraw/zinc/23/63/33/1069236333.db2.gz WFEAVPJEQLSRTD-URVUXULASA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc32)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001305765773 1069236800 /nfs/dbraw/zinc/23/68/00/1069236800.db2.gz YTHXXAMTZVXWMA-LJQANCHMSA-N 1 0 454.619 3.392 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1sc(C)nc1C ZINC001305769522 1069244723 /nfs/dbraw/zinc/24/47/23/1069244723.db2.gz HCSLHFOCWNPTHR-IBGZPJMESA-N 1 0 459.664 3.383 20 0 JGADRO 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CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900104 721512661 /nfs/dbraw/zinc/51/26/61/721512661.db2.gz OAZCZBCMJMQPSH-ZBFHGGJFSA-N 1 0 470.879 3.333 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccccc4)nc(-c4ccccc4)n2)CC3)CC1 ZINC001164794019 721512723 /nfs/dbraw/zinc/51/27/23/721512723.db2.gz BGPUXQYBEZQLOP-UHFFFAOYSA-N 1 0 466.593 3.170 20 0 JGADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc5ccsc5c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164898583 721518503 /nfs/dbraw/zinc/51/85/03/721518503.db2.gz JERNZMWVHGXFFK-HKUYNNGSSA-N 1 0 455.559 3.009 20 0 JGADRO Cc1sc2nc(-c3cccnc3)nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1C ZINC001164797803 721518902 /nfs/dbraw/zinc/51/89/02/721518902.db2.gz NUNIPNZKGIXYCP-UHFFFAOYSA-N 1 0 474.638 3.334 20 0 JGADRO COCc1nc2scc(-c3ccccc3)c2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164795348 721520895 /nfs/dbraw/zinc/52/08/95/721520895.db2.gz NHBNPKFHSWTHDK-UHFFFAOYSA-N 1 0 489.649 3.469 20 0 JGADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905793 721548876 /nfs/dbraw/zinc/54/88/76/721548876.db2.gz IHRWJENKHQSSNX-GHTZIAJQSA-N 1 0 484.553 3.153 20 0 JGADRO O=C(Nc1nncs1)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164911452 721557925 /nfs/dbraw/zinc/55/79/25/721557925.db2.gz ZETZLMZTAZVHSI-NVXWUHKLSA-N 1 0 474.949 3.320 20 0 JGADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[N@@H+]3C2)c1 ZINC001164908783 721562027 /nfs/dbraw/zinc/56/20/27/721562027.db2.gz SCWSFAZWFJDXMM-ILBGXUMGSA-N 1 0 475.568 3.461 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CN(c4ccsc4)C(=O)CO3)C2)nc1 ZINC001164797352 721594551 /nfs/dbraw/zinc/59/45/51/721594551.db2.gz GIXJCICRKAVXIE-ZJSXRUAMSA-N 1 0 456.612 3.329 20 0 JGADRO C[NH+]1CCN(c2cccc(N3CCC[C@@]4(CC(C(=O)Nc5cccc(Cl)c5)=NO4)C3)n2)CC1 ZINC001164797999 721605764 /nfs/dbraw/zinc/60/57/64/721605764.db2.gz DVKQGPKNAPGXGC-XMMPIXPASA-N 1 0 468.989 3.241 20 0 JGADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1 ZINC001164801911 721606833 /nfs/dbraw/zinc/60/68/33/721606833.db2.gz HFYDIYNOCZYPDE-QHCPKHFHSA-N 1 0 490.986 3.499 20 0 JGADRO CCOC(=O)c1cc(Cl)nnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908007 721694915 /nfs/dbraw/zinc/69/49/15/721694915.db2.gz XZCLNKVSWONIHW-FQEVSTJZSA-N 1 0 451.905 3.439 20 0 JGADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907918 721700781 /nfs/dbraw/zinc/70/07/81/721700781.db2.gz WLADUUBPGPLYII-OAQYLSRUSA-N 1 0 465.932 3.368 20 0 JGADRO CN1CCOc2c(Cl)nnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164904116 721719973 /nfs/dbraw/zinc/71/99/73/721719973.db2.gz ABPVHSBNSNXCSJ-FQEVSTJZSA-N 1 0 450.921 3.091 20 0 JGADRO FC1(F)CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906455 721723270 /nfs/dbraw/zinc/72/32/70/721723270.db2.gz MANIZDMWGBGCFV-XMMPIXPASA-N 1 0 484.599 3.205 20 0 JGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c2ncn3Cc2ccccc2)CC1 ZINC001165010626 721733916 /nfs/dbraw/zinc/73/39/16/721733916.db2.gz HOMBHGFKCXZDCP-UHFFFAOYSA-N 1 0 468.005 3.051 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)C[C@H]21 ZINC001165020352 721806792 /nfs/dbraw/zinc/80/67/92/721806792.db2.gz FGOVSPYODYERDD-DFQSSKMNSA-N 1 0 465.627 3.055 20 0 JGADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165018766 721816818 /nfs/dbraw/zinc/81/68/18/721816818.db2.gz AAFHBZRDXVJIKE-QXAKKESOSA-N 1 0 484.004 3.175 20 0 JGADRO CCOC(=O)N1CCc2nnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc2C1 ZINC001165027696 721824238 /nfs/dbraw/zinc/82/42/38/721824238.db2.gz TUCFGORMIOGACD-QTGUNEKASA-N 1 0 450.587 3.123 20 0 JGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)C1 ZINC001165025161 721824320 /nfs/dbraw/zinc/82/43/20/721824320.db2.gz MCAWUFDSIKXTCT-SGKWCMOWSA-N 1 0 478.641 3.388 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)N4CCOCC4)cc3Cl)C[C@H]21 ZINC001165024615 721825188 /nfs/dbraw/zinc/82/51/88/721825188.db2.gz KTZQKDQDLMZYAU-JMUQELJHSA-N 1 0 470.017 3.339 20 0 JGADRO COc1cc2cc[nH+]c(N3CCO[C@]4(C3)COCCN(Cc3csc(C)n3)C4)c2cc1OC ZINC001164920153 721828762 /nfs/dbraw/zinc/82/87/62/721828762.db2.gz BMYYMNWHBROXEU-XMMPIXPASA-N 1 0 470.595 3.125 20 0 JGADRO CCOC(=O)Cc1c(Cl)ncnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021981 721841112 /nfs/dbraw/zinc/84/11/12/721841112.db2.gz KUUFSRZUTPGMBR-UHFFFAOYSA-N 1 0 462.978 3.354 20 0 JGADRO CCOC(=O)C1CCN(c2ccc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nn2)CC1 ZINC001165020526 721841977 /nfs/dbraw/zinc/84/19/77/721841977.db2.gz FIMSWYJMOJGWFV-UHFFFAOYSA-N 1 0 497.640 3.374 20 0 JGADRO CCCNC(=O)c1cc(Cl)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165029780 721845335 /nfs/dbraw/zinc/84/53/35/721845335.db2.gz CKIAKTUIMLUOBA-UHFFFAOYSA-N 1 0 461.994 3.388 20 0 JGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164934627 721879142 /nfs/dbraw/zinc/87/91/42/721879142.db2.gz STIOTMNRXAKANL-VQTJNVASSA-N 1 0 454.688 3.381 20 0 JGADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164933921 721880187 /nfs/dbraw/zinc/88/01/87/721880187.db2.gz OSTFUGBGNZBYRB-WOJBJXKFSA-N 1 0 454.688 3.381 20 0 JGADRO COC(=O)C1CCN(c2nccnc2N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)CC1 ZINC001164940630 721928630 /nfs/dbraw/zinc/92/86/30/721928630.db2.gz VANJEODFHJPBBZ-UHFFFAOYSA-N 1 0 479.625 3.046 20 0 JGADRO O=C([C@@H]1COc2ccccc2O1)N1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001165047779 721981795 /nfs/dbraw/zinc/98/17/95/721981795.db2.gz AAXQXFDKMAFVQA-NRFANRHFSA-N 1 0 490.938 3.145 20 0 JGADRO O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164949675 722001997 /nfs/dbraw/zinc/00/19/97/722001997.db2.gz DZVOPKGHQKBDMV-QRQLOZEOSA-N 1 0 495.983 3.279 20 0 JGADRO O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164949672 722002028 /nfs/dbraw/zinc/00/20/28/722002028.db2.gz DZVOPKGHQKBDMV-BHIYHBOVSA-N 1 0 495.983 3.279 20 0 JGADRO Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]3O2)n1 ZINC001164965567 722043254 /nfs/dbraw/zinc/04/32/54/722043254.db2.gz ZJNVBRJKVJDTDH-HFTRVMKXSA-N 1 0 451.905 3.184 20 0 JGADRO Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@H]3O2)n1 ZINC001164965573 722043271 /nfs/dbraw/zinc/04/32/71/722043271.db2.gz ZJNVBRJKVJDTDH-UWWQBHOKSA-N 1 0 451.905 3.184 20 0 JGADRO c1ccc(CN2CCc3ncnc(N(c4ccccn4)[C@@H]4C[NH2+]C[C@H]5CCCO[C@@H]54)c3C2)cc1 ZINC001164960463 722050952 /nfs/dbraw/zinc/05/09/52/722050952.db2.gz OKGKSTOTDFKJAI-QQSVUBKYSA-N 1 0 456.594 3.335 20 0 JGADRO c1nc2c(ncnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1-c1ccccc1 ZINC001164960757 722061527 /nfs/dbraw/zinc/06/15/27/722061527.db2.gz KLGOADZAJAOYQF-UHFFFAOYSA-N 1 0 455.566 3.330 20 0 JGADRO CC(=O)N1[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164970192 722081352 /nfs/dbraw/zinc/08/13/52/722081352.db2.gz OELSLCRXZOXGIO-RCZSKKKRSA-N 1 0 490.986 3.369 20 0 JGADRO O=C(NCc1ccccc1)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980062 722103528 /nfs/dbraw/zinc/10/35/28/722103528.db2.gz JEBUEKLLJJGRKV-UKILVPOCSA-N 1 0 457.578 3.134 20 0 JGADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164981399 722107383 /nfs/dbraw/zinc/10/73/83/722107383.db2.gz LHMDIOMIODMGPP-SJLPKXTDSA-N 1 0 466.916 3.189 20 0 JGADRO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164981397 722107427 /nfs/dbraw/zinc/10/74/27/722107427.db2.gz LHMDIOMIODMGPP-FUHWJXTLSA-N 1 0 466.916 3.189 20 0 JGADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983149 722113798 /nfs/dbraw/zinc/11/37/98/722113798.db2.gz YKAQGVYVQJBOAW-AEFFLSMTSA-N 1 0 466.916 3.189 20 0 JGADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979022 722117249 /nfs/dbraw/zinc/11/72/49/722117249.db2.gz OSDDOXSLONZKCI-IAGOWNOFSA-N 1 0 478.018 3.151 20 0 JGADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979020 722117717 /nfs/dbraw/zinc/11/77/17/722117717.db2.gz OSDDOXSLONZKCI-DLBZAZTESA-N 1 0 478.018 3.151 20 0 JGADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983801 722136511 /nfs/dbraw/zinc/13/65/11/722136511.db2.gz UZOJCZKXMWFJDM-QFBILLFUSA-N 1 0 466.916 3.189 20 0 JGADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983802 722136585 /nfs/dbraw/zinc/13/65/85/722136585.db2.gz UZOJCZKXMWFJDM-VQIMIIECSA-N 1 0 466.916 3.189 20 0 JGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164980316 722142524 /nfs/dbraw/zinc/14/25/24/722142524.db2.gz MTBJYWWUORWHFM-BWKNWUBXSA-N 1 0 459.550 3.037 20 0 JGADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975177 722151193 /nfs/dbraw/zinc/15/11/93/722151193.db2.gz FHRDLSJOWVMAHQ-QZTJIDSGSA-N 1 0 476.915 3.452 20 0 JGADRO COc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)c(OC)c1OC ZINC001164977979 722151255 /nfs/dbraw/zinc/15/12/55/722151255.db2.gz JAHYPWFHBUCGSE-YKSBVNFPSA-N 1 0 491.592 3.292 20 0 JGADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971291 722158814 /nfs/dbraw/zinc/15/88/14/722158814.db2.gz BOXVVNDBWRHWCU-HZPDHXFCSA-N 1 0 480.972 3.493 20 0 JGADRO CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)[nH+]cc21 ZINC001164985054 722184760 /nfs/dbraw/zinc/18/47/60/722184760.db2.gz AMLINVLIYLBROX-RTWAWAEBSA-N 1 0 455.584 3.374 20 0 JGADRO CCOC(=O)c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C(=O)OCC ZINC001164994687 722196438 /nfs/dbraw/zinc/19/64/38/722196438.db2.gz PBYSSFRJJZPLMU-DEOSSOPVSA-N 1 0 456.518 3.214 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)ncc1OCc1ccccc1)CCC2 ZINC001165001545 722253684 /nfs/dbraw/zinc/25/36/84/722253684.db2.gz BHLWLMBGYLDJQA-UHFFFAOYSA-N 1 0 456.978 3.394 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncccc1C(=O)NCCSCc1ccco1)CCC2 ZINC001165002859 722254927 /nfs/dbraw/zinc/25/49/27/722254927.db2.gz UWXUPTKIWPWMGN-UHFFFAOYSA-N 1 0 498.653 3.023 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)COC(=O)Nc1cccnc1Cl)CCC2 ZINC001165004499 722257745 /nfs/dbraw/zinc/25/77/45/722257745.db2.gz STXUWHJONQGWPA-UHFFFAOYSA-N 1 0 472.924 3.057 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOCC3(CC3)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001305796923 1069317409 /nfs/dbraw/zinc/31/74/09/1069317409.db2.gz YALOYLWMAJUGDE-KBMIEXCESA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCOC[C@H]2C)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001305796967 1069317882 /nfs/dbraw/zinc/31/78/82/1069317882.db2.gz ZEGZMJXELONABO-XXBNENTESA-N 1 0 484.645 3.267 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCSC(CC)(CC)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001305798533 1069320055 /nfs/dbraw/zinc/32/00/55/1069320055.db2.gz PNDRAMVXZUDEDJ-UHFFFAOYSA-N 1 0 480.723 3.419 20 0 JGADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)Oc1ccccc1F ZINC001305802338 1069325515 /nfs/dbraw/zinc/32/55/15/1069325515.db2.gz CYZLIIWIZMVFPL-GUDVDZBRSA-N 1 0 458.582 3.086 20 0 JGADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cc(C)ccn2)CC1)[NH+]1CCCC1 ZINC001305802559 1069325955 /nfs/dbraw/zinc/32/59/55/1069325955.db2.gz FCGHDHLXEVNSPQ-FQEVSTJZSA-N 1 0 469.634 3.042 20 0 JGADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC2)CC1)Oc1ccccc1F ZINC001305802877 1069327214 /nfs/dbraw/zinc/32/72/14/1069327214.db2.gz JVXLOTWIYOAIDY-IBGZPJMESA-N 1 0 458.582 3.088 20 0 JGADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001305809301 1069338545 /nfs/dbraw/zinc/33/85/45/1069338545.db2.gz HVCPIMGHUMTMKC-FUHWJXTLSA-N 1 0 465.440 3.393 20 0 JGADRO CC[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCCC1 ZINC001305808992 1069338806 /nfs/dbraw/zinc/33/88/06/1069338806.db2.gz LNMKDLMSIXLBRG-CEXWTWQISA-N 1 0 458.582 3.099 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCCC1 ZINC001305811277 1069341227 /nfs/dbraw/zinc/34/12/27/1069341227.db2.gz PIPKKWLWUBHCNM-LJQANCHMSA-N 1 0 476.572 3.480 20 0 JGADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCSCC1)[NH+]1CCCC1 ZINC001305812244 1069342293 /nfs/dbraw/zinc/34/22/93/1069342293.db2.gz UKMPEDNVWROFIU-INIZCTEOSA-N 1 0 453.454 3.474 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCS(=O)CC1)[NH+]1CCCC1 ZINC001305813066 1069343696 /nfs/dbraw/zinc/34/36/96/1069343696.db2.gz DIASLBIOOVKIBP-SFHVURJKSA-N 1 0 480.476 3.459 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCN1CCOCC1)[NH+]1CCCC1 ZINC001305813925 1069344515 /nfs/dbraw/zinc/34/45/15/1069344515.db2.gz JYQZOMVPFPHYQL-NRFANRHFSA-N 1 0 491.478 3.350 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](COC(C)C)C1)[NH+]1CCCC1 ZINC001305813632 1069344712 /nfs/dbraw/zinc/34/47/12/1069344712.db2.gz DJFILXZCOCMMRV-JTHBVZDNSA-N 1 0 457.619 3.458 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)OC ZINC001305813993 1069345379 /nfs/dbraw/zinc/34/53/79/1069345379.db2.gz LIOCBMNZCXNYJA-APWZRJJASA-N 1 0 466.424 3.290 20 0 JGADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(OC)C1)[NH+]1CCCC1 ZINC001305814049 1069345431 /nfs/dbraw/zinc/34/54/31/1069345431.db2.gz GJQWNLXQLFUTRJ-GBXCKJPGSA-N 1 0 475.659 3.228 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCS(=O)(=O)CC)[NH+]1CCCC1 ZINC001305814272 1069345663 /nfs/dbraw/zinc/34/56/63/1069345663.db2.gz MVEOZCHMWOHJSH-LJQANCHMSA-N 1 0 498.491 3.453 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)OC ZINC001305814910 1069347405 /nfs/dbraw/zinc/34/74/05/1069347405.db2.gz HZNYWXFULAYPDJ-OALUTQOASA-N 1 0 464.010 3.333 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001305816311 1069349831 /nfs/dbraw/zinc/34/98/31/1069349831.db2.gz RAZOTBMXOFAPRP-INIZCTEOSA-N 1 0 489.473 3.112 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCCC1 ZINC001305816443 1069350368 /nfs/dbraw/zinc/35/03/68/1069350368.db2.gz SVEKZBWJDQUDJR-HXOBKFHXSA-N 1 0 461.010 3.183 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCS(=O)CC1)[NH+]1CCCC1 ZINC001305819144 1069354150 /nfs/dbraw/zinc/35/41/50/1069354150.db2.gz ADZFKHIJJUFNGE-INIZCTEOSA-N 1 0 484.439 3.290 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001305819263 1069354532 /nfs/dbraw/zinc/35/45/32/1069354532.db2.gz SKKFEMDIIYRMCS-OAQYLSRUSA-N 1 0 454.619 3.181 20 0 JGADRO CC[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001305819895 1069355438 /nfs/dbraw/zinc/35/54/38/1069355438.db2.gz BEJJTSWDZMZAHG-YADHBBJMSA-N 1 0 488.702 3.236 20 0 JGADRO CC[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305817554 1069351652 /nfs/dbraw/zinc/35/16/52/1069351652.db2.gz BOSJEQHIGCJURK-NHCUHLMSSA-N 1 0 499.660 3.192 20 0 JGADRO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001305822809 1069358889 /nfs/dbraw/zinc/35/88/89/1069358889.db2.gz BVXZWNAGNPYTEJ-PMACEKPBSA-N 1 0 472.638 3.047 20 0 JGADRO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001305822813 1069359292 /nfs/dbraw/zinc/35/92/92/1069359292.db2.gz BVXZWNAGNPYTEJ-VQTJNVASSA-N 1 0 472.638 3.047 20 0 JGADRO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001305822811 1069359361 /nfs/dbraw/zinc/35/93/61/1069359361.db2.gz BVXZWNAGNPYTEJ-UXHICEINSA-N 1 0 472.638 3.047 20 0 JGADRO CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001305823192 1069360029 /nfs/dbraw/zinc/36/00/29/1069360029.db2.gz VKAUUEKVDOAWOX-NRFANRHFSA-N 1 0 463.630 3.457 20 0 JGADRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305825159 1069363115 /nfs/dbraw/zinc/36/31/15/1069363115.db2.gz ZLVJKYNNBMUMBE-DOTOQJQBSA-N 1 0 493.425 3.388 20 0 JGADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CC(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC001305826748 1069366230 /nfs/dbraw/zinc/36/62/30/1069366230.db2.gz KKBNSKBAABFAEW-DENIHFKCSA-N 1 0 461.614 3.186 20 0 JGADRO CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(CCO)Cc1ccc(Br)s1)[NH+]1CCCC1 ZINC001305832439 1069373581 /nfs/dbraw/zinc/37/35/81/1069373581.db2.gz HRQJCHABWNXREL-SJORKVTESA-N 1 0 498.491 3.479 20 0 JGADRO CC[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001305831835 1069372778 /nfs/dbraw/zinc/37/27/78/1069372778.db2.gz WLVIAHANBVEQAV-PZJWPPBQSA-N 1 0 476.666 3.398 20 0 JGADRO CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+]1CCCC1 ZINC001305837209 1069380454 /nfs/dbraw/zinc/38/04/54/1069380454.db2.gz MHYCBVCSGYMIMW-MOPGFXCFSA-N 1 0 460.573 3.126 20 0 JGADRO CC[C@@H](Cn1c(CC(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1 ZINC001305837461 1069381099 /nfs/dbraw/zinc/38/10/99/1069381099.db2.gz TVIIAZBAMYLTPI-QUCCMNQESA-N 1 0 462.664 3.196 20 0 JGADRO CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C)[NH+]1CCCC1 ZINC001305838156 1069381427 /nfs/dbraw/zinc/38/14/27/1069381427.db2.gz PLZXYWCUNWYPQP-VAMGGRTRSA-N 1 0 462.639 3.450 20 0 JGADRO CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C)[NH+]1CCCC1 ZINC001305839203 1069384385 /nfs/dbraw/zinc/38/43/85/1069384385.db2.gz WEHLHVCJOSNYHO-HKUYNNGSSA-N 1 0 460.573 3.079 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1)OC ZINC001305839670 1069386027 /nfs/dbraw/zinc/38/60/27/1069386027.db2.gz ZOMHEBGIPGTYNJ-YADHBBJMSA-N 1 0 461.054 3.164 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCCC1 ZINC001305840860 1069388986 /nfs/dbraw/zinc/38/89/86/1069388986.db2.gz LJCVKLLCYJLNMM-IBGZPJMESA-N 1 0 450.553 3.270 20 0 JGADRO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305841077 1069389028 /nfs/dbraw/zinc/38/90/28/1069389028.db2.gz HILGFIPLFWUGJO-NRSPTQNISA-N 1 0 469.634 3.240 20 0 JGADRO CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001305842101 1069390654 /nfs/dbraw/zinc/39/06/54/1069390654.db2.gz NGIXAIVXZQKMEP-QUCCMNQESA-N 1 0 465.568 3.211 20 0 JGADRO CC[C@@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001305843889 1069393512 /nfs/dbraw/zinc/39/35/12/1069393512.db2.gz HKVIDOOGOFHUMX-CTNGQTDRSA-N 1 0 472.659 3.025 20 0 JGADRO CC[C@H](Cn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001305850801 1069403568 /nfs/dbraw/zinc/40/35/68/1069403568.db2.gz STGAWOFGMHDKGV-GOSISDBHSA-N 1 0 464.655 3.180 20 0 JGADRO CC[C@H](Cn1c(N2CCN(C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305850769 1069403590 /nfs/dbraw/zinc/40/35/90/1069403590.db2.gz RYJGUMYWTJAZIX-PKTZIBPZSA-N 1 0 484.689 3.012 20 0 JGADRO CC[C@@H](Cn1c(Nc2cnn(C)c2)nnc1-c1cc(OC)c(OC)c(OC)c1)[NH+]1CCCC1 ZINC001305850776 1069403605 /nfs/dbraw/zinc/40/36/05/1069403605.db2.gz SDDWCJKAHMLKLC-SFHVURJKSA-N 1 0 455.563 3.322 20 0 JGADRO CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCCC1 ZINC001305849740 1069401675 /nfs/dbraw/zinc/40/16/75/1069401675.db2.gz UGAAHGDJYUJMQQ-FQEVSTJZSA-N 1 0 456.635 3.391 20 0 JGADRO CCC(O)(CC)Cn1c(-c2ccccc2C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001305851044 1069404125 /nfs/dbraw/zinc/40/41/25/1069404125.db2.gz ADPYJFRKTYTWAE-HSZRJFAPSA-N 1 0 484.689 3.036 20 0 JGADRO CC[C@@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001305868245 1069423940 /nfs/dbraw/zinc/42/39/40/1069423940.db2.gz RWPVCCFDYGMDDL-VWLOTQADSA-N 1 0 457.619 3.436 20 0 JGADRO CC[C@]1(C)CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001305868242 1069423966 /nfs/dbraw/zinc/42/39/66/1069423966.db2.gz RWPVCCFDYGMDDL-RUZDIDTESA-N 1 0 457.619 3.436 20 0 JGADRO CC[C@@]1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001305870580 1069425213 /nfs/dbraw/zinc/42/52/13/1069425213.db2.gz WUZUBXIBHJHFQM-OFVILXPXSA-N 1 0 454.619 3.039 20 0 JGADRO 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CC[C@@]1(C)CN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001305890396 1069447380 /nfs/dbraw/zinc/44/73/80/1069447380.db2.gz NLVLIGNUKZLCTE-NVQXNPDNSA-N 1 0 471.646 3.240 20 0 JGADRO CC[C@]1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC001305890040 1069446728 /nfs/dbraw/zinc/44/67/28/1069446728.db2.gz CNDRTHFXKDMJCN-RCZVLFRGSA-N 1 0 489.686 3.074 20 0 JGADRO CCC1(CC)CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001305892301 1069449249 /nfs/dbraw/zinc/44/92/49/1069449249.db2.gz ADMNLVRKTWTOLN-VWLOTQADSA-N 1 0 473.618 3.054 20 0 JGADRO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001305893645 1069450513 /nfs/dbraw/zinc/45/05/13/1069450513.db2.gz NRFMJOVCJPJBEO-GOSISDBHSA-N 1 0 462.664 3.015 20 0 JGADRO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001305894285 1069452353 /nfs/dbraw/zinc/45/23/53/1069452353.db2.gz WWERBEDYRJXJDI-HXUWFJFHSA-N 1 0 488.702 3.353 20 0 JGADRO 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C[C@@H]1[C@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CC[N@@H+]1Cc1ccccc1 ZINC001298885977 1064692775 /nfs/dbraw/zinc/69/27/75/1064692775.db2.gz HQRVTAGCLTWCGG-GDBMZVCRSA-N 1 0 450.402 3.362 20 0 JGADRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001298886399 1064694950 /nfs/dbraw/zinc/69/49/50/1064694950.db2.gz GGFXCKWTCCEELA-LLBQEJIASA-N 1 0 460.667 3.019 20 0 JGADRO CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCOC1 ZINC001298888700 1064698705 /nfs/dbraw/zinc/69/87/05/1064698705.db2.gz OIURIPVPPXEUOB-YRPNKDGESA-N 1 0 476.666 3.394 20 0 JGADRO CN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(C)(C)[NH+]2CCCCC2)CC1=O ZINC001298888506 1064698834 /nfs/dbraw/zinc/69/88/34/1064698834.db2.gz YNYHGQDNXKEDMB-UHFFFAOYSA-N 1 0 493.425 3.390 20 0 JGADRO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC001298888912 1064698889 /nfs/dbraw/zinc/69/88/89/1064698889.db2.gz PQCMMUMBSUMMHU-OYDLWJJNSA-N 1 0 457.640 3.467 20 0 JGADRO CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCSC1 ZINC001298889967 1064699487 /nfs/dbraw/zinc/69/94/87/1064699487.db2.gz XNZLWVDWXZEEEA-AEFFLSMTSA-N 1 0 462.689 3.332 20 0 JGADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCOC2CCCCC2)CC1 ZINC001298890000 1064699547 /nfs/dbraw/zinc/69/95/47/1064699547.db2.gz YDEXWBNCTPYGKK-OAQYLSRUSA-N 1 0 460.667 3.058 20 0 JGADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001298890168 1064700127 /nfs/dbraw/zinc/70/01/27/1064700127.db2.gz ZSQVUVLGKYVYNS-SFHVURJKSA-N 1 0 470.584 3.342 20 0 JGADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccccc3)n2CCCC(F)(F)F)CC1 ZINC001298890042 1064700413 /nfs/dbraw/zinc/70/04/13/1064700413.db2.gz ZFPAVKGORWFBIZ-SFHVURJKSA-N 1 0 450.509 3.030 20 0 JGADRO CN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](c2cccs2)[NH+](C)C)CC1=O ZINC001298891015 1064700821 /nfs/dbraw/zinc/70/08/21/1064700821.db2.gz NUMFOCTYNQJYPQ-QGZVFWFLSA-N 1 0 489.443 3.350 20 0 JGADRO 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CNC(=O)C(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001298924497 1064723465 /nfs/dbraw/zinc/72/34/65/1064723465.db2.gz AKIUVLCYSHKBSL-IBGZPJMESA-N 1 0 454.619 3.038 20 0 JGADRO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001298925293 1064724454 /nfs/dbraw/zinc/72/44/54/1064724454.db2.gz DYUJENFJMJMWQJ-TVZXLZGTSA-N 1 0 457.615 3.431 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001298927413 1064727074 /nfs/dbraw/zinc/72/70/74/1064727074.db2.gz XJGUZCOGIMIINC-JOCHJYFZSA-N 1 0 475.641 3.379 20 0 JGADRO CNC(=O)C(C)(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001298948007 1064739309 /nfs/dbraw/zinc/73/93/09/1064739309.db2.gz FGBREOTVNVQYPT-OAQYLSRUSA-N 1 0 468.646 3.250 20 0 JGADRO CNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001298948901 1064739899 /nfs/dbraw/zinc/73/98/99/1064739899.db2.gz BONJBURIDQSGAA-XUVXKRRUSA-N 1 0 460.667 3.034 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(SC)CC[NH+](C)CC1 ZINC001298952386 1064743885 /nfs/dbraw/zinc/74/38/85/1064743885.db2.gz DAJNREYNDRNYSZ-ZWKOTPCHSA-N 1 0 492.665 3.203 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001298952744 1064743977 /nfs/dbraw/zinc/74/39/77/1064743977.db2.gz GDEAAIYHHMVDPT-AQNXPRMDSA-N 1 0 474.625 3.496 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001298964412 1064751470 /nfs/dbraw/zinc/75/14/70/1064751470.db2.gz BJJNAWFHVLRBCO-VQIMIIECSA-N 1 0 475.037 3.442 20 0 JGADRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001298966286 1064755895 /nfs/dbraw/zinc/75/58/95/1064755895.db2.gz UVQYWXRPWNVBGR-SFHVURJKSA-N 1 0 482.629 3.399 20 0 JGADRO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1ccco1)[NH+](C)C ZINC001298966362 1064755958 /nfs/dbraw/zinc/75/59/58/1064755958.db2.gz LQFRMVMHIUWODG-CRAIPNDOSA-N 1 0 474.993 3.321 20 0 JGADRO 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JGADRO CC[N@@H+]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)[C@H](C)C1 ZINC001299010448 1064794152 /nfs/dbraw/zinc/79/41/52/1064794152.db2.gz UQBYKSSFGXKHJY-NLWGTHIKSA-N 1 0 451.633 3.109 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001299016181 1064800160 /nfs/dbraw/zinc/80/01/60/1064800160.db2.gz UXMOMIURQYUDRU-AVRWGWEMSA-N 1 0 498.653 3.289 20 0 JGADRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001299017046 1064801991 /nfs/dbraw/zinc/80/19/91/1064801991.db2.gz UHHOUERLTMBGTH-CPJSRVTESA-N 1 0 454.619 3.037 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001299030853 1064817478 /nfs/dbraw/zinc/81/74/78/1064817478.db2.gz VOWNDHJWQAFANR-QFQXNSOFSA-N 1 0 452.647 3.494 20 0 JGADRO CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001299031396 1064817998 /nfs/dbraw/zinc/81/79/98/1064817998.db2.gz XXNQDMSWXTWOIA-XMMPIXPASA-N 1 0 458.676 3.413 20 0 JGADRO 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COc1cc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2C[C@@H](C)OC)cc(OC)c1OC ZINC001299858457 1065070589 /nfs/dbraw/zinc/07/05/89/1065070589.db2.gz OFFDNPHTGXNDCW-QGZVFWFLSA-N 1 0 459.591 3.070 20 0 JGADRO COc1cc(-c2nnc(N3CCOCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC(C)C ZINC001299859556 1065072784 /nfs/dbraw/zinc/07/27/84/1065072784.db2.gz FXMBFMSNFAVOBI-BGYRXZFFSA-N 1 0 487.645 3.465 20 0 JGADRO COc1cc(-c2nnc(N3CCOC[C@@H]3C)n2CCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC001299859624 1065073235 /nfs/dbraw/zinc/07/32/35/1065073235.db2.gz GTPSHGKZOVOBLU-MOPGFXCFSA-N 1 0 473.618 3.461 20 0 JGADRO COc1cc(-c2nnc(N3CCOC[C@H]3C)n2CCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC001299859628 1065073414 /nfs/dbraw/zinc/07/34/14/1065073414.db2.gz GTPSHGKZOVOBLU-RTBURBONSA-N 1 0 473.618 3.461 20 0 JGADRO COc1cc(-c2nnc(N3CCO[C@@H](C)C3)n2CC(C)(C)[NH+]2CCCCC2)cc(OC)c1OC ZINC001299859831 1065073601 /nfs/dbraw/zinc/07/36/01/1065073601.db2.gz KKVDMZJLFUHRJS-SFHVURJKSA-N 1 0 473.618 3.461 20 0 JGADRO 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COc1cc(OC)cc(N(C)c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001299959452 1065239784 /nfs/dbraw/zinc/23/97/84/1065239784.db2.gz PODROYFMMUTECC-SFTDATJTSA-N 1 0 497.644 3.424 20 0 JGADRO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001299959677 1065240460 /nfs/dbraw/zinc/24/04/60/1065240460.db2.gz YCRQVOKMLLGCJM-OTPAQWSUSA-N 1 0 473.618 3.048 20 0 JGADRO COc1cc2c(cc1OC)CCN(c1nnc(-c3ccc(C)o3)n1CCOCC[NH+](C)C)CC2 ZINC001299962535 1065244699 /nfs/dbraw/zinc/24/46/99/1065244699.db2.gz DCSVSOKDCCHCKX-UHFFFAOYSA-N 1 0 469.586 3.047 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N(C)Cc3cnn(C)c3C)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299968849 1065254224 /nfs/dbraw/zinc/25/42/24/1065254224.db2.gz MCXJUSRBFCRQKG-CQSZACIVSA-N 1 0 476.423 3.345 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCC(N(C)C(C)=O)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299969910 1065256813 /nfs/dbraw/zinc/25/68/13/1065256813.db2.gz BODOZFXOUOWUJN-OAHLLOKOSA-N 1 0 493.450 3.113 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCC(CO)CC3)n2CCC[NH+]2CCCC2)c1 ZINC001299971005 1065259697 /nfs/dbraw/zinc/25/96/97/1065259697.db2.gz ZAAGMPMHNUHOHG-UHFFFAOYSA-N 1 0 478.435 3.411 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299975142 1065268493 /nfs/dbraw/zinc/26/84/93/1065268493.db2.gz LBPUTRZSWCTSLE-RDJZCZTQSA-N 1 0 493.450 3.019 20 0 JGADRO COc1ccc(Br)c(-c2nnc(N3CC[C@H](OC)C3)n2CC2([NH+](C)C)CCC2)c1 ZINC001299976016 1065271416 /nfs/dbraw/zinc/27/14/16/1065271416.db2.gz XBZZDMFKIORJJL-INIZCTEOSA-N 1 0 464.408 3.426 20 0 JGADRO COc1ccc(Br)c(CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299976345 1065272403 /nfs/dbraw/zinc/27/24/03/1065272403.db2.gz FLLGHVTZZHOERC-KBXCAEBGSA-N 1 0 452.397 3.487 20 0 JGADRO COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC001299978455 1065274933 /nfs/dbraw/zinc/27/49/33/1065274933.db2.gz AOUVISORUASSRB-ICSRJNTNSA-N 1 0 454.619 3.076 20 0 JGADRO COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)cc1OC ZINC001299979833 1065277999 /nfs/dbraw/zinc/27/79/99/1065277999.db2.gz WTOIGOMUGCHNEY-NRFANRHFSA-N 1 0 498.672 3.476 20 0 JGADRO COc1ccc([C@@H](C)N(C)c2nnc(-c3cnccn3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001299984460 1065286014 /nfs/dbraw/zinc/28/60/14/1065286014.db2.gz PIOBSPXRPOLVNB-HXUWFJFHSA-N 1 0 478.645 3.215 20 0 JGADRO COc1ccc([C@@H](C)CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC001299985300 1065287008 /nfs/dbraw/zinc/28/70/08/1065287008.db2.gz VHXDZHDUPCSAEN-RBBKRZOGSA-N 1 0 489.686 3.303 20 0 JGADRO COc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccn2)[NH+]2CCCC2)cc1 ZINC001299987169 1065289254 /nfs/dbraw/zinc/28/92/54/1065289254.db2.gz QKUXKJGRWAXQIC-HSZRJFAPSA-N 1 0 477.613 3.293 20 0 JGADRO COc1ccc([C@@H](Cn2c(CC3CC3)nnc2N(C)CC(=O)NC(C)(C)C)[NH+]2CCCC2)cc1 ZINC001299988205 1065291594 /nfs/dbraw/zinc/29/15/94/1065291594.db2.gz LDIFPJRDMCRYMJ-JOCHJYFZSA-N 1 0 468.646 3.427 20 0 JGADRO COc1ccc([C@H](Cn2c(-c3ccc(C)o3)nnc2N(C)[C@@H](C)CC(N)=O)[NH+]2CCCC2)cc1 ZINC001299988503 1065291906 /nfs/dbraw/zinc/29/19/06/1065291906.db2.gz OJTLJWSCZGYPBM-UWJYYQICSA-N 1 0 466.586 3.392 20 0 JGADRO COc1ccc(C)cc1CCn1c(CC(C)C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001299990610 1065294275 /nfs/dbraw/zinc/29/42/75/1065294275.db2.gz NDRQPUBGQXNJOB-VWLOTQADSA-N 1 0 498.716 3.268 20 0 JGADRO COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001299995604 1065303139 /nfs/dbraw/zinc/30/31/39/1065303139.db2.gz QUPWEJQMJSLNMJ-MOPGFXCFSA-N 1 0 477.675 3.334 20 0 JGADRO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC001299997094 1065307053 /nfs/dbraw/zinc/30/70/53/1065307053.db2.gz CKMJNAHEHWOPQS-LJQANCHMSA-N 1 0 472.634 3.044 20 0 JGADRO Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c(=O)n1C ZINC001492202758 1065316963 /nfs/dbraw/zinc/31/69/63/1065316963.db2.gz JEEYCFCEESDQHC-UHFFFAOYSA-N 1 0 482.604 3.362 20 0 JGADRO Cc1ccc(F)c(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001492208051 1065322206 /nfs/dbraw/zinc/32/22/06/1065322206.db2.gz ISQNRSAIKFZJGC-RTBURBONSA-N 1 0 480.654 3.093 20 0 JGADRO Cc1ccc(N(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492224589 1065329251 /nfs/dbraw/zinc/32/92/51/1065329251.db2.gz PILIXWKLHBFSPF-WOJBJXKFSA-N 1 0 454.619 3.365 20 0 JGADRO Cc1ccc(N(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492224587 1065329304 /nfs/dbraw/zinc/32/93/04/1065329304.db2.gz PILIXWKLHBFSPF-BGYRXZFFSA-N 1 0 454.619 3.365 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(Cc4cccnc4)n3CCC[N@@H+](C)C(C)C)CC2=O)cc1 ZINC001492232866 1065333590 /nfs/dbraw/zinc/33/35/90/1065333590.db2.gz OKTARRUJFZLMAC-UHFFFAOYSA-N 1 0 461.614 3.156 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@@H+]3CCCO)CC2)cc1C ZINC001492233210 1065334320 /nfs/dbraw/zinc/33/43/20/1065334320.db2.gz YMYUDOAEZDYFPQ-DEOSSOPVSA-N 1 0 454.663 3.267 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)C3CCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492235149 1065335460 /nfs/dbraw/zinc/33/54/60/1065335460.db2.gz KATVWTRSMIKFRR-QFIPXVFZSA-N 1 0 481.645 3.079 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001492245002 1065343905 /nfs/dbraw/zinc/34/39/05/1065343905.db2.gz YMPNOWVNHHIMMO-RTWAWAEBSA-N 1 0 481.645 3.079 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H]4CCC[C@@H](C3)C4O)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001492246010 1065343970 /nfs/dbraw/zinc/34/39/70/1065343970.db2.gz AHZHUADLVPSTJO-RLAPIPATSA-N 1 0 468.646 3.332 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001492250369 1065349727 /nfs/dbraw/zinc/34/97/27/1065349727.db2.gz MFWUYYMSQIUDPX-NQIIRXRSSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CCC(=O)NC(C)C)cc1C ZINC001492250343 1065349837 /nfs/dbraw/zinc/34/98/37/1065349837.db2.gz MAGAFOOYVGBVHT-QFIPXVFZSA-N 1 0 495.672 3.374 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492250411 1065350550 /nfs/dbraw/zinc/35/05/50/1065350550.db2.gz MPMAYAJLJWYCET-MHZLTWQESA-N 1 0 498.672 3.103 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001492250714 1065350573 /nfs/dbraw/zinc/35/05/73/1065350573.db2.gz QAFPJQKRZMSDAS-CZTZKLFOSA-N 1 0 454.619 3.229 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001492250762 1065351096 /nfs/dbraw/zinc/35/10/96/1065351096.db2.gz RBTRBKXWNDBALU-ICSRJNTNSA-N 1 0 454.619 3.229 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(Cn4cncn4)CC3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001492251044 1065351776 /nfs/dbraw/zinc/35/17/76/1065351776.db2.gz WGZQXFXNXKZLMK-UHFFFAOYSA-N 1 0 493.660 3.243 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC(=O)NC(C)C)cc1C ZINC001492251036 1065351819 /nfs/dbraw/zinc/35/18/19/1065351819.db2.gz VZSHBJXQMCIYIF-UHFFFAOYSA-N 1 0 483.661 3.228 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCNC(=O)C(C)(C)C)cc1C ZINC001492264095 1065356660 /nfs/dbraw/zinc/35/66/60/1065356660.db2.gz DQCLSKWKESOAMR-JOCHJYFZSA-N 1 0 495.672 3.374 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C4=NCC(C)(C)S4)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492265914 1065359306 /nfs/dbraw/zinc/35/93/06/1065359306.db2.gz HKYYJJIDOXSYRP-IBGZPJMESA-N 1 0 498.701 3.101 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001492265949 1065359551 /nfs/dbraw/zinc/35/95/51/1065359551.db2.gz LDUWUUILZFBCJL-GHTZIAJQSA-N 1 0 454.619 3.494 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[NH+]2CCC(C)CC2)cc1C ZINC001492268147 1065364204 /nfs/dbraw/zinc/36/42/04/1065364204.db2.gz SWHNFPWEYKLZFJ-UHFFFAOYSA-N 1 0 495.672 3.184 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001492276761 1065371195 /nfs/dbraw/zinc/37/11/95/1065371195.db2.gz QWDGAPANGFIZRR-BVYCBKJFSA-N 1 0 468.646 3.475 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)C2)nc1 ZINC001492279794 1065372674 /nfs/dbraw/zinc/37/26/74/1065372674.db2.gz AYSONPVAIXOLMU-VXKWHMMOSA-N 1 0 483.661 3.003 20 0 JGADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)C2)nc1 ZINC001492280284 1065373163 /nfs/dbraw/zinc/37/31/63/1065373163.db2.gz FFDQQXMRPPCPTL-DHIUTWEWSA-N 1 0 497.688 3.392 20 0 JGADRO Cc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001492280738 1065373172 /nfs/dbraw/zinc/37/31/72/1065373172.db2.gz JTGLPBQREHBKMW-UHFFFAOYSA-N 1 0 491.640 3.328 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC(C(=O)Nc4ccc(C)cn4)CC3)n2C[C@H](C)[NH+](C)C)o1 ZINC001492280572 1065373344 /nfs/dbraw/zinc/37/33/44/1065373344.db2.gz IDGSQBHGIONAGO-KRWDZBQOSA-N 1 0 451.575 3.355 20 0 JGADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4ccc[nH]4)n3CC[N@@H+](C)C(C)C)C2)nc1 ZINC001492281300 1065374488 /nfs/dbraw/zinc/37/44/88/1065374488.db2.gz QLJQGPSDERUEAL-IBGZPJMESA-N 1 0 450.591 3.172 20 0 JGADRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc([C@H]4CCCOC4)n3C[C@@H](C)[NH+](C)C)C2)cc1 ZINC001492287105 1065379903 /nfs/dbraw/zinc/37/99/03/1065379903.db2.gz AXQLNSKQZDEWBH-FSSWDIPSSA-N 1 0 483.661 3.469 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492288108 1065382559 /nfs/dbraw/zinc/38/25/59/1065382559.db2.gz KLPGZUMCBCNFMT-IRFCIJBXSA-N 1 0 499.660 3.382 20 0 JGADRO Cc1ccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001492288349 1065382596 /nfs/dbraw/zinc/38/25/96/1065382596.db2.gz LMULHANQHPPJHF-OAQYLSRUSA-N 1 0 477.613 3.479 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001492288481 1065383392 /nfs/dbraw/zinc/38/33/92/1065383392.db2.gz MSUSYZLGMKYRQL-UHFFFAOYSA-N 1 0 481.645 3.048 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001492238588 1065384062 /nfs/dbraw/zinc/38/40/62/1065384062.db2.gz UBGXIXREJXMQQM-UHFFFAOYSA-N 1 0 479.629 3.403 20 0 JGADRO Cc1ccc(OC2CCN(c3nnc(CN4CCCC4=O)n3CCC[N@@H+](C)C(C)C)CC2)cc1 ZINC001492310622 1065389960 /nfs/dbraw/zinc/38/99/60/1065389960.db2.gz HDKDOLBQTOUYRK-UHFFFAOYSA-N 1 0 468.646 3.487 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC2CC[NH+](C3CC3)CC2)cc1 ZINC001492310880 1065390057 /nfs/dbraw/zinc/39/00/57/1065390057.db2.gz ISQQOISRUIPAOE-PMACEKPBSA-N 1 0 489.686 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H]3CCCN(c4cccnn4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492315824 1065392281 /nfs/dbraw/zinc/39/22/81/1065392281.db2.gz COCDTAVMDXXQOS-VXKWHMMOSA-N 1 0 478.645 3.319 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)[C@H]3CCCN(c4cccnn4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492315825 1065392371 /nfs/dbraw/zinc/39/23/71/1065392371.db2.gz COCDTAVMDXXQOS-YADHBBJMSA-N 1 0 478.645 3.319 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001492325912 1065398179 /nfs/dbraw/zinc/39/81/79/1065398179.db2.gz UHNUOWAXVGWPON-HSZRJFAPSA-N 1 0 453.616 3.029 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[NH+]2CCCCC2)cc1C ZINC001492338296 1065406101 /nfs/dbraw/zinc/40/61/01/1065406101.db2.gz OVONDYYMAUQBKD-OAQYLSRUSA-N 1 0 454.619 3.017 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001492339530 1065407538 /nfs/dbraw/zinc/40/75/38/1065407538.db2.gz OOCJKBIXNVYJMB-YADHBBJMSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492353195 1065414521 /nfs/dbraw/zinc/41/45/21/1065414521.db2.gz UCSHCVWDOZWWKV-AREMUKBSSA-N 1 0 470.662 3.054 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001492353741 1065416251 /nfs/dbraw/zinc/41/62/51/1065416251.db2.gz KOZNSQYKIYENAM-LEWJYISDSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC4(C3)CCOCC4)n2CCOCC[NH+](C)C)cc1C ZINC001492363301 1065424174 /nfs/dbraw/zinc/42/41/74/1065424174.db2.gz IDGPQDKBNDFGEP-UHFFFAOYSA-N 1 0 457.619 3.059 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001492363409 1065424925 /nfs/dbraw/zinc/42/49/25/1065424925.db2.gz JGNDKBJIPUDFSX-RLWLMLJZSA-N 1 0 468.646 3.309 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001492363663 1065425753 /nfs/dbraw/zinc/42/57/53/1065425753.db2.gz LMMJJYMWUCOQSE-XZOQPEGZSA-N 1 0 489.686 3.299 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492371386 1065435100 /nfs/dbraw/zinc/43/51/00/1065435100.db2.gz PZZXKMHLRXRBNX-FGZHOGPDSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492371388 1065435138 /nfs/dbraw/zinc/43/51/38/1065435138.db2.gz PZZXKMHLRXRBNX-YADHBBJMSA-N 1 0 468.646 3.378 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001492376873 1065439824 /nfs/dbraw/zinc/43/98/24/1065439824.db2.gz FFCHXXKZZQCYEI-HSZRJFAPSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1C ZINC001492377024 1065440782 /nfs/dbraw/zinc/44/07/82/1065440782.db2.gz JQNMNFVZHNETLK-NRFANRHFSA-N 1 0 468.646 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCO[C@H]2CCOC2)cc1 ZINC001492377431 1065441449 /nfs/dbraw/zinc/44/14/49/1065441449.db2.gz OXJNLYKEHMHBFM-QHCPKHFHSA-N 1 0 457.619 3.282 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCNC(=O)c2ccco2)cc1C ZINC001492377500 1065441490 /nfs/dbraw/zinc/44/14/90/1065441490.db2.gz RBKCGKYXRWNITM-UHFFFAOYSA-N 1 0 480.613 3.417 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)cc1 ZINC001492378239 1065443010 /nfs/dbraw/zinc/44/30/10/1065443010.db2.gz KTRFDCWNKMYDMC-UHFFFAOYSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001492383024 1065446216 /nfs/dbraw/zinc/44/62/16/1065446216.db2.gz INKAUYMOTLQFKV-WOVHNISZSA-N 1 0 468.646 3.343 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC(C)(C)C[NH+]2CCCC2)cc1C ZINC001492383092 1065446326 /nfs/dbraw/zinc/44/63/26/1065446326.db2.gz KJBMIKOVCJFSPP-NRFANRHFSA-N 1 0 468.646 3.263 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001492383108 1065446980 /nfs/dbraw/zinc/44/69/80/1065446980.db2.gz KZHUOFOHWQNCCD-LJQANCHMSA-N 1 0 466.552 3.334 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001492383730 1065448860 /nfs/dbraw/zinc/44/88/60/1065448860.db2.gz WYVGQJMAYQVPAR-QFIPXVFZSA-N 1 0 483.661 3.136 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001492384160 1065450254 /nfs/dbraw/zinc/45/02/54/1065450254.db2.gz DPOIWJZEHMIHSA-YADHBBJMSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCNC(=O)C(C)C)cc1 ZINC001492384199 1065450315 /nfs/dbraw/zinc/45/03/15/1065450315.db2.gz DWWVVEABAQDXHO-NRFANRHFSA-N 1 0 468.646 3.248 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001492384152 1065450417 /nfs/dbraw/zinc/45/04/17/1065450417.db2.gz DPOIWJZEHMIHSA-FCHUYYIVSA-N 1 0 468.646 3.405 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CC(=O)NC(C)C)cc1 ZINC001492385657 1065453807 /nfs/dbraw/zinc/45/38/07/1065453807.db2.gz UCQWJQYUKMLSJE-HXUWFJFHSA-N 1 0 454.619 3.001 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[NH+]2CCC(C)CC2)cc1C ZINC001492346541 1065461717 /nfs/dbraw/zinc/46/17/17/1065461717.db2.gz IGCAJXOMDMRIMN-JOCHJYFZSA-N 1 0 468.646 3.298 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001492393122 1065465357 /nfs/dbraw/zinc/46/53/57/1065465357.db2.gz KYAHSPPPVSNDJP-IEBWSBKVSA-N 1 0 453.509 3.417 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001492393120 1065465423 /nfs/dbraw/zinc/46/54/23/1065465423.db2.gz KYAHSPPPVSNDJP-HKUYNNGSSA-N 1 0 453.509 3.417 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001492395424 1065467732 /nfs/dbraw/zinc/46/77/32/1065467732.db2.gz SHDDFEUYIIWNBK-FTJBHMTQSA-N 1 0 471.646 3.182 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC[C@@H]3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001492399810 1065468412 /nfs/dbraw/zinc/46/84/12/1065468412.db2.gz CUEIXPRRYRLMPQ-JTHBVZDNSA-N 1 0 457.619 3.056 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCOC4(CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001492399788 1065468460 /nfs/dbraw/zinc/46/84/60/1065468460.db2.gz CPRWQJIEXHQGGT-UHFFFAOYSA-N 1 0 471.646 3.448 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001492400993 1065469864 /nfs/dbraw/zinc/46/98/64/1065469864.db2.gz HDIFSFIRFMYTIK-HXUWFJFHSA-N 1 0 458.676 3.133 20 0 JGADRO Cc1ccc(OCCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC001492415422 1065477140 /nfs/dbraw/zinc/47/71/40/1065477140.db2.gz AUZLYPKKYAAWHS-HSZRJFAPSA-N 1 0 482.673 3.387 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001492421501 1065482089 /nfs/dbraw/zinc/48/20/89/1065482089.db2.gz QPQIDTPBSHRFCH-VXKWHMMOSA-N 1 0 489.686 3.124 20 0 JGADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCC3)n2CC[NH+]2CCCCCC2)cc1 ZINC001492429780 1065488320 /nfs/dbraw/zinc/48/83/20/1065488320.db2.gz MARVNVBJAURNJQ-UHFFFAOYSA-N 1 0 474.675 3.145 20 0 JGADRO Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492456677 1065507030 /nfs/dbraw/zinc/50/70/30/1065507030.db2.gz RSUDCZXKZMSSCG-FHAGJXEFSA-N 1 0 486.686 3.080 20 0 JGADRO Cc1ccc(SCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC001492469254 1065517934 /nfs/dbraw/zinc/51/79/34/1065517934.db2.gz DZEXCCOBFINZKX-WOJBJXKFSA-N 1 0 492.715 3.054 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001492470525 1065520621 /nfs/dbraw/zinc/52/06/21/1065520621.db2.gz RDVDSNZWOVZCBM-RBUKOAKNSA-N 1 0 460.648 3.155 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)C)n3CC[NH+]3CCSCC3)CC2)c1 ZINC001492471661 1065522792 /nfs/dbraw/zinc/52/27/92/1065522792.db2.gz QXZBWRUNGGLITI-UHFFFAOYSA-N 1 0 456.660 3.111 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCSCC2)CC[C@@H]1C ZINC001300799081 1065531592 /nfs/dbraw/zinc/53/15/92/1065531592.db2.gz USAPVKJTLVXDHL-BBTUJRGHSA-N 1 0 463.623 3.467 20 0 JGADRO CO[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CC[C@H]1C ZINC001300825954 1065554443 /nfs/dbraw/zinc/55/44/43/1065554443.db2.gz KYGHMJROEJHGKC-GCJKJVERSA-N 1 0 462.038 3.230 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CC[C@H]1C ZINC001300825958 1065554454 /nfs/dbraw/zinc/55/44/54/1065554454.db2.gz KYGHMJROEJHGKC-XMSQKQJNSA-N 1 0 462.038 3.230 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccsc2)[NH+](C)C)CC[C@H]1C ZINC001300841275 1065579753 /nfs/dbraw/zinc/57/97/53/1065579753.db2.gz IBLCOFBHVLWHAJ-MAODMQOUSA-N 1 0 457.648 3.365 20 0 JGADRO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC[C@H]1C ZINC001300843338 1065582373 /nfs/dbraw/zinc/58/23/73/1065582373.db2.gz PZHARMXZBQEJLL-AOHZBQACSA-N 1 0 471.646 3.182 20 0 JGADRO CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1(C)C ZINC001300844104 1065584288 /nfs/dbraw/zinc/58/42/88/1065584288.db2.gz QWBMKRVFGGUZDV-WOIUINJBSA-N 1 0 457.667 3.369 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[NH+]2CCOCC2)CC1(C)C ZINC001300849045 1065591386 /nfs/dbraw/zinc/59/13/86/1065591386.db2.gz MFIVDKZZUWQVTD-NJDAHSKKSA-N 1 0 463.667 3.170 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCC2)CC[C@@H]1C ZINC001300849065 1065592120 /nfs/dbraw/zinc/59/21/20/1065592120.db2.gz MJKRBVHHCIFKIM-SLFFLAALSA-N 1 0 462.639 3.307 20 0 JGADRO CO[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2([NH+](C)C)CCSC2)CC[C@@H]1C ZINC001300850792 1065594275 /nfs/dbraw/zinc/59/42/75/1065594275.db2.gz SKXDWXAKHOURTO-UXRROIJYSA-N 1 0 465.708 3.495 20 0 JGADRO CO[C@H]1COCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001300856233 1065605935 /nfs/dbraw/zinc/60/59/35/1065605935.db2.gz SZSWHYOWDZUZMC-IRLDBZIGSA-N 1 0 484.645 3.119 20 0 JGADRO CC(C)CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c(Cl)cc1Cl ZINC001300873266 1065649292 /nfs/dbraw/zinc/64/92/92/1065649292.db2.gz KSPJAGBPVLYEHO-AWEZNQCLSA-N 1 0 450.432 3.389 20 0 JGADRO CO[C@H]1COCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001300878101 1065661513 /nfs/dbraw/zinc/66/15/13/1065661513.db2.gz YTVWNYDSXKDOHD-VWNXMTODSA-N 1 0 471.646 3.303 20 0 JGADRO COCC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300886861 1065674563 /nfs/dbraw/zinc/67/45/63/1065674563.db2.gz MZXMGYREXYIHFU-SZPZYZBQSA-N 1 0 498.672 3.007 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001300903715 1065701691 /nfs/dbraw/zinc/70/16/91/1065701691.db2.gz QVDSEWAJUAXMDB-JOCHJYFZSA-N 1 0 493.656 3.201 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001300905013 1065705278 /nfs/dbraw/zinc/70/52/78/1065705278.db2.gz ZRKKCKHUCDDNCF-LJQANCHMSA-N 1 0 480.613 3.098 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001300910265 1065707684 /nfs/dbraw/zinc/70/76/84/1065707684.db2.gz FBVLSBCRVZCFDC-JOCHJYFZSA-N 1 0 474.694 3.395 20 0 JGADRO COCC(=O)NC1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001300910712 1065708958 /nfs/dbraw/zinc/70/89/58/1065708958.db2.gz BVYULJCTFMQZTI-QFIPXVFZSA-N 1 0 498.672 3.017 20 0 JGADRO COCC(C)(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001300925693 1065723398 /nfs/dbraw/zinc/72/33/98/1065723398.db2.gz NHTLNVLASUKQID-HXUWFJFHSA-N 1 0 481.707 3.088 20 0 JGADRO COCC(C)(C)CCCn1c(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001300926383 1065724301 /nfs/dbraw/zinc/72/43/01/1065724301.db2.gz CJFMRCYNUMKADW-IRLDBZIGSA-N 1 0 476.710 3.407 20 0 JGADRO 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JGADRO COC[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001301287751 1066095862 /nfs/dbraw/zinc/09/58/62/1066095862.db2.gz UTVMSIZDHSLREN-HXUWFJFHSA-N 1 0 475.037 3.210 20 0 JGADRO COCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001301288045 1066096279 /nfs/dbraw/zinc/09/62/79/1066096279.db2.gz YOTUICILGJAZPO-NRFANRHFSA-N 1 0 481.576 3.230 20 0 JGADRO COC[C@H]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[NH+]2CCCCCC2)C1 ZINC001301293836 1066098952 /nfs/dbraw/zinc/09/89/52/1066098952.db2.gz KFHMWQNMZKYVHO-IBGZPJMESA-N 1 0 473.618 3.320 20 0 JGADRO COCC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001301296467 1066101756 /nfs/dbraw/zinc/10/17/56/1066101756.db2.gz LSJSMYPSDIRKHQ-LJQANCHMSA-N 1 0 465.440 3.249 20 0 JGADRO COCC1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001301307711 1066110824 /nfs/dbraw/zinc/11/08/24/1066110824.db2.gz XBHDGSSHRSRZPD-UHFFFAOYSA-N 1 0 452.603 3.135 20 0 JGADRO COC[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001301309805 1066112445 /nfs/dbraw/zinc/11/24/45/1066112445.db2.gz VYLRKDGWUAVACV-SLFFLAALSA-N 1 0 487.645 3.323 20 0 JGADRO COCC1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(F)(F)F)CC1 ZINC001301333910 1066124405 /nfs/dbraw/zinc/12/44/05/1066124405.db2.gz PAMTYVFWXFJUFB-UHFFFAOYSA-N 1 0 466.552 3.068 20 0 JGADRO COCC1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001301342861 1066133140 /nfs/dbraw/zinc/13/31/40/1066133140.db2.gz JFSCKGRMUJUKRT-PMACEKPBSA-N 1 0 475.609 3.358 20 0 JGADRO COC[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCC2)C1 ZINC001301344942 1066135946 /nfs/dbraw/zinc/13/59/46/1066135946.db2.gz RWIHTUGUOHZVHE-SLFFLAALSA-N 1 0 462.639 3.007 20 0 JGADRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C(C)(C)n3cc(C)c(C(F)(F)F)n3)C2)ccn1 ZINC001301355599 1066144788 /nfs/dbraw/zinc/14/47/88/1066144788.db2.gz CNQXPDMNWXMWOP-GOSISDBHSA-N 1 0 453.509 3.472 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001301359748 1066151053 /nfs/dbraw/zinc/15/10/53/1066151053.db2.gz QGIUZSWYVDPFAH-AEFFLSMTSA-N 1 0 481.439 3.008 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001301361015 1066154211 /nfs/dbraw/zinc/15/42/11/1066154211.db2.gz UUEOSZLUSDGNLR-PKOBYXMFSA-N 1 0 481.439 3.008 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001301361872 1066156219 /nfs/dbraw/zinc/15/62/19/1066156219.db2.gz OYIQPVDQERPFJC-GOSISDBHSA-N 1 0 495.466 3.020 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001301362474 1066156905 /nfs/dbraw/zinc/15/69/05/1066156905.db2.gz VVIASPCVXJENHR-AZUAARDMSA-N 1 0 478.435 3.208 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001301364216 1066159614 /nfs/dbraw/zinc/15/96/14/1066159614.db2.gz ZEIQGLAMQIIUCS-PXNSSMCTSA-N 1 0 478.435 3.291 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001301368500 1066162821 /nfs/dbraw/zinc/16/28/21/1066162821.db2.gz JFWWPFSRXKMDFY-FUHWJXTLSA-N 1 0 496.425 3.430 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001301371963 1066165945 /nfs/dbraw/zinc/16/59/45/1066165945.db2.gz DJDJYAVYQMXJIV-PKTZIBPZSA-N 1 0 457.619 3.316 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001301371965 1066166004 /nfs/dbraw/zinc/16/60/04/1066166004.db2.gz DJDJYAVYQMXJIV-XZOQPEGZSA-N 1 0 457.619 3.316 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001301375343 1066168709 /nfs/dbraw/zinc/16/87/09/1066168709.db2.gz PQOZVJLZGXGBED-CTNGQTDRSA-N 1 0 487.645 3.467 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCCC2)CCO1 ZINC001301376672 1066170114 /nfs/dbraw/zinc/17/01/14/1066170114.db2.gz VJDPQXUJCOBZNT-QGZVFWFLSA-N 1 0 482.398 3.184 20 0 JGADRO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H](C)O1 ZINC001301377294 1066170879 /nfs/dbraw/zinc/17/08/79/1066170879.db2.gz XMILQRGERUGWGF-MZKRTTBSSA-N 1 0 457.619 3.314 20 0 JGADRO COC[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001301377344 1066170909 /nfs/dbraw/zinc/17/09/09/1066170909.db2.gz YIDFQRRVWRNMGG-MRXNPFEDSA-N 1 0 466.424 3.147 20 0 JGADRO COC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001301386363 1066173791 /nfs/dbraw/zinc/17/37/91/1066173791.db2.gz CWSQEEMUUTZGMY-YUXAGFNASA-N 1 0 461.582 3.031 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H](C)O1 ZINC001301397814 1066178762 /nfs/dbraw/zinc/17/87/62/1066178762.db2.gz VKJOYFRKKNIFAR-FGCOXFRFSA-N 1 0 464.614 3.115 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001301397993 1066179094 /nfs/dbraw/zinc/17/90/94/1066179094.db2.gz XZVHQZOEQUCLKA-VWPQPMDRSA-N 1 0 459.610 3.370 20 0 JGADRO COC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001301398367 1066179442 /nfs/dbraw/zinc/17/94/42/1066179442.db2.gz CYLYXQQLUIXNEI-XMSQKQJNSA-N 1 0 473.618 3.442 20 0 JGADRO COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC001301400258 1066180669 /nfs/dbraw/zinc/18/06/69/1066180669.db2.gz UKBVALFPORQKCN-LQWHRVPQSA-N 1 0 462.664 3.138 20 0 JGADRO COC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H](C)O1 ZINC001301401304 1066182104 /nfs/dbraw/zinc/18/21/04/1066182104.db2.gz GUJCRZAYUIUQPQ-XWGVYQGASA-N 1 0 455.647 3.424 20 0 JGADRO COC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001301404846 1066186974 /nfs/dbraw/zinc/18/69/74/1066186974.db2.gz HGKXPJYIPYPQFX-FCHUYYIVSA-N 1 0 457.619 3.200 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C[NH+](C)C)C[C@@H](C)O1 ZINC001301407544 1066190250 /nfs/dbraw/zinc/19/02/50/1066190250.db2.gz PQBFEDZPKKWIKS-IRLDBZIGSA-N 1 0 459.635 3.302 20 0 JGADRO COC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001301410294 1066197889 /nfs/dbraw/zinc/19/78/89/1066197889.db2.gz SWGLMZPJINRTOI-WMZOPIPTSA-N 1 0 484.428 3.500 20 0 JGADRO COC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C2CCCCC2)CCO1 ZINC001301414041 1066202948 /nfs/dbraw/zinc/20/29/48/1066202948.db2.gz KIBVQJCETJVEMU-BHDDXSALSA-N 1 0 463.667 3.313 20 0 JGADRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001301945036 1066229845 /nfs/dbraw/zinc/22/98/45/1066229845.db2.gz VDOKRIPMAMPKNI-YPAWHYETSA-N 1 0 476.710 3.355 20 0 JGADRO COCCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001301432887 1066231763 /nfs/dbraw/zinc/23/17/63/1066231763.db2.gz ULJVOPLCDUJVDQ-UHFFFAOYSA-N 1 0 462.664 3.253 20 0 JGADRO COCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001301945578 1066233500 /nfs/dbraw/zinc/23/35/00/1066233500.db2.gz YHJWNNONVWAFOG-HSZRJFAPSA-N 1 0 482.673 3.219 20 0 JGADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001301945964 1066235919 /nfs/dbraw/zinc/23/59/19/1066235919.db2.gz WSJZNIPUTZTKKP-DEOSSOPVSA-N 1 0 496.681 3.390 20 0 JGADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cnccn2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001301947942 1066239746 /nfs/dbraw/zinc/23/97/46/1066239746.db2.gz HKJSXYAXWPRRPY-CLOONOSVSA-N 1 0 496.685 3.450 20 0 JGADRO COCC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301449542 1066263493 /nfs/dbraw/zinc/26/34/93/1066263493.db2.gz HYFKIYRPAAVDEZ-QHCPKHFHSA-N 1 0 450.027 3.277 20 0 JGADRO COCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001301454520 1066271668 /nfs/dbraw/zinc/27/16/68/1066271668.db2.gz ZNUGXYYBGKPOAD-SLSDLSHTSA-N 1 0 463.667 3.052 20 0 JGADRO COCC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001301460245 1066280807 /nfs/dbraw/zinc/28/08/07/1066280807.db2.gz SXSLHZAGGBPORK-UQBPGWFLSA-N 1 0 475.609 3.094 20 0 JGADRO 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COCC[N@H+](C)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001301714699 1066616622 /nfs/dbraw/zinc/61/66/22/1066616622.db2.gz VZWKYUYAMULHRL-UHFFFAOYSA-N 1 0 474.556 3.420 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001301715471 1066617241 /nfs/dbraw/zinc/61/72/41/1066617241.db2.gz FTJQWQVGSAEZGF-HXUWFJFHSA-N 1 0 450.587 3.404 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001301716717 1066618569 /nfs/dbraw/zinc/61/85/69/1066618569.db2.gz NCSMAWLFMHFWML-UHFFFAOYSA-N 1 0 497.669 3.031 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001301716566 1066618703 /nfs/dbraw/zinc/61/87/03/1066618703.db2.gz KPXVPFMCHGMHIZ-JOCHJYFZSA-N 1 0 484.567 3.147 20 0 JGADRO CC(C)(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302160927 1066619154 /nfs/dbraw/zinc/61/91/54/1066619154.db2.gz OZPBFQREXSXOSQ-LJQANCHMSA-N 1 0 453.697 3.392 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001301717583 1066619415 /nfs/dbraw/zinc/61/94/15/1066619415.db2.gz QUDNQBZEKIISFC-UHFFFAOYSA-N 1 0 485.583 3.222 20 0 JGADRO COCC[N@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCS[C@H](C)[C@H]1C ZINC001301718059 1066619832 /nfs/dbraw/zinc/61/98/32/1066619832.db2.gz AFKLEZJYQUJDKR-IAGOWNOFSA-N 1 0 453.603 3.446 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001301718524 1066620765 /nfs/dbraw/zinc/62/07/65/1066620765.db2.gz GYZGZYMTBJGARI-GOSISDBHSA-N 1 0 467.618 3.435 20 0 JGADRO C[NH+]1C[C@@]2(C)CN(C(=O)C3(NS(=O)(=O)c4ccc(Cl)cc4)CCCCC3)C[C@]2(C)C1 ZINC001301719554 1066621361 /nfs/dbraw/zinc/62/13/61/1066621361.db2.gz YTHWUKXURCSGPY-SFTDATJTSA-N 1 0 454.036 3.121 20 0 JGADRO COCC[N@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001301719498 1066621466 /nfs/dbraw/zinc/62/14/66/1066621466.db2.gz RJODJXZVQGVYIV-SFHVURJKSA-N 1 0 467.618 3.435 20 0 JGADRO Cc1ccc(S(=O)(=O)N(CCC(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c2ccccc2)cc1 ZINC001301719796 1066621776 /nfs/dbraw/zinc/62/17/76/1066621776.db2.gz ZRXMNQLYAJPBKG-PLQXJYEYSA-N 1 0 455.624 3.381 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001301719711 1066621818 /nfs/dbraw/zinc/62/18/18/1066621818.db2.gz VOJCAWPXIUZLBG-HLIPFELVSA-N 1 0 460.450 3.161 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001301719740 1066621872 /nfs/dbraw/zinc/62/18/72/1066621872.db2.gz WGTTXAAUEMLBDF-DHIUTWEWSA-N 1 0 457.619 3.108 20 0 JGADRO COCC[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001301719992 1066621887 /nfs/dbraw/zinc/62/18/87/1066621887.db2.gz YHTQTDMTFLNVER-JOCHJYFZSA-N 1 0 459.610 3.108 20 0 JGADRO Cc1ccc(S(=O)(=O)N(CCC(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c2ccccc2)cc1 ZINC001301719794 1066621952 /nfs/dbraw/zinc/62/19/52/1066621952.db2.gz ZRXMNQLYAJPBKG-DQEYMECFSA-N 1 0 455.624 3.381 20 0 JGADRO COCC[N@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001301720309 1066622984 /nfs/dbraw/zinc/62/29/84/1066622984.db2.gz DMTJFAZUMZLVBL-UHFFFAOYSA-N 1 0 477.535 3.184 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2([NH+](C)C)CCSC2)[C@@H](C)C1 ZINC001301720776 1066624224 /nfs/dbraw/zinc/62/42/24/1066624224.db2.gz GDGMFZHPTRAPOS-HJPURHCSSA-N 1 0 494.612 3.041 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301720706 1066624275 /nfs/dbraw/zinc/62/42/75/1066624275.db2.gz BJWBLAFWINUKSS-HXUWFJFHSA-N 1 0 488.633 3.025 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001301721050 1066625481 /nfs/dbraw/zinc/62/54/81/1066625481.db2.gz HQZYTRPQYZYPIG-GXRSIYKFSA-N 1 0 463.667 3.313 20 0 JGADRO COCC[N@H+](C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCCc2sccc2C1 ZINC001301721116 1066626312 /nfs/dbraw/zinc/62/63/12/1066626312.db2.gz IYSMLQBCSDFCLZ-UHFFFAOYSA-N 1 0 457.648 3.122 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccsc1 ZINC001301721377 1066626935 /nfs/dbraw/zinc/62/69/35/1066626935.db2.gz GRAVVBQFLIAVOZ-UHFFFAOYSA-N 1 0 467.437 3.322 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001301721732 1066627681 /nfs/dbraw/zinc/62/76/81/1066627681.db2.gz KKGIVPNPLHSDKP-IBGZPJMESA-N 1 0 452.603 3.384 20 0 JGADRO CC(C)(C)Cc1nnc(N2CCN(c3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302166040 1066628667 /nfs/dbraw/zinc/62/86/67/1066628667.db2.gz QHGVJCAZHONNGT-JOCHJYFZSA-N 1 0 458.626 3.179 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301722307 1066630277 /nfs/dbraw/zinc/63/02/77/1066630277.db2.gz QKBVIFJQTBOTAB-IBGZPJMESA-N 1 0 460.026 3.030 20 0 JGADRO COCC[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001301722460 1066630291 /nfs/dbraw/zinc/63/02/91/1066630291.db2.gz QRTPCBUEAKXGHK-RXVVDRJESA-N 1 0 463.598 3.387 20 0 JGADRO COCCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001302166711 1066630910 /nfs/dbraw/zinc/63/09/10/1066630910.db2.gz LFSXJKAMGOSQPP-HXUWFJFHSA-N 1 0 476.419 3.211 20 0 JGADRO COCC[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001301723003 1066632856 /nfs/dbraw/zinc/63/28/56/1066632856.db2.gz UHUHGJBGSLIIGC-WCIQWLHISA-N 1 0 464.655 3.252 20 0 JGADRO COCC[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001301723148 1066633637 /nfs/dbraw/zinc/63/36/37/1066633637.db2.gz XDJGFGOMVMYNRB-OKZBNKHCSA-N 1 0 451.612 3.466 20 0 JGADRO COCC[N@H+](C)CCCn1c(N2CCN(c3ccc(F)c(OC)c3)CC2)nnc1C(C)(C)C ZINC001301723561 1066634811 /nfs/dbraw/zinc/63/48/11/1066634811.db2.gz VUKIGXHIKZPJPD-UHFFFAOYSA-N 1 0 462.614 3.018 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001301725155 1066638934 /nfs/dbraw/zinc/63/89/34/1066638934.db2.gz MWIFFTJGRKULJN-XMMPIXPASA-N 1 0 482.673 3.148 20 0 JGADRO COCCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001302170751 1066640283 /nfs/dbraw/zinc/64/02/83/1066640283.db2.gz FFWPPVAEMUMCOZ-PCCBWWKXSA-N 1 0 456.635 3.338 20 0 JGADRO COCCOC1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001302171687 1066641434 /nfs/dbraw/zinc/64/14/34/1066641434.db2.gz NAQXTHSPZLNGFM-SFTDATJTSA-N 1 0 456.635 3.340 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCC[C@H]2C)[C@@H](C)C1 ZINC001301726729 1066643843 /nfs/dbraw/zinc/64/38/43/1066643843.db2.gz YCMIVZBWPMHQAF-CABCVRRESA-N 1 0 481.464 3.310 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001301726934 1066644317 /nfs/dbraw/zinc/64/43/17/1066644317.db2.gz XMYVHGGUWVMENF-SFHVURJKSA-N 1 0 495.455 3.421 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H]1c1nncn1C ZINC001301727055 1066644361 /nfs/dbraw/zinc/64/43/61/1066644361.db2.gz ZIOSDWZQUYXARD-SFHVURJKSA-N 1 0 479.416 3.300 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2C)CC1 ZINC001301727805 1066645904 /nfs/dbraw/zinc/64/59/04/1066645904.db2.gz KNTHYIJYAJXODO-UHFFFAOYSA-N 1 0 470.021 3.207 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001301728147 1066647123 /nfs/dbraw/zinc/64/71/23/1066647123.db2.gz VWNNQLCILIRIFU-XLIONFOSSA-N 1 0 478.435 3.291 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001301729541 1066647658 /nfs/dbraw/zinc/64/76/58/1066647658.db2.gz JXLCGPCHMJVHSH-UHFFFAOYSA-N 1 0 477.535 3.488 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001301729567 1066647688 /nfs/dbraw/zinc/64/76/88/1066647688.db2.gz KJSRWXYEZKVMCS-UHFFFAOYSA-N 1 0 484.048 3.202 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(c2cccc(OC)c2)CC1 ZINC001301729314 1066647781 /nfs/dbraw/zinc/64/77/81/1066647781.db2.gz HBTPIVMCPHBUBM-UHFFFAOYSA-N 1 0 450.587 3.311 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](CC(C)C)[NH+](C)C)[C@H](C)C1 ZINC001301729635 1066647795 /nfs/dbraw/zinc/64/77/95/1066647795.db2.gz AZSLTAXCBZEKEL-TZIWHRDSSA-N 1 0 465.646 3.470 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001301730148 1066648546 /nfs/dbraw/zinc/64/85/46/1066648546.db2.gz QWCARSFFGOFWKX-FQEVSTJZSA-N 1 0 467.593 3.081 20 0 JGADRO COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001301730359 1066649044 /nfs/dbraw/zinc/64/90/44/1066649044.db2.gz VABWUFVJRHBMBU-RXVVDRJESA-N 1 0 456.616 3.255 20 0 JGADRO CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001301730828 1066649840 /nfs/dbraw/zinc/64/98/40/1066649840.db2.gz MOUOWRKKIADNES-LEWJYISDSA-N 1 0 461.614 3.308 20 0 JGADRO COCCOC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001302176288 1066650455 /nfs/dbraw/zinc/65/04/55/1066650455.db2.gz PHBJICAGXYSESS-FQEVSTJZSA-N 1 0 456.635 3.402 20 0 JGADRO 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COCCOC1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001302179186 1066654934 /nfs/dbraw/zinc/65/49/34/1066654934.db2.gz GHMUEXQULVSRSM-SFTDATJTSA-N 1 0 463.667 3.314 20 0 JGADRO CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC001301734594 1066655983 /nfs/dbraw/zinc/65/59/83/1066655983.db2.gz XTSIMEKLIWRFBF-PTUXOGIPSA-N 1 0 454.619 3.188 20 0 JGADRO COCCOC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001302180450 1066658341 /nfs/dbraw/zinc/65/83/41/1066658341.db2.gz ZKVMRQUMAAEFHY-LADGPHEKSA-N 1 0 471.646 3.415 20 0 JGADRO COCCOC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001302180449 1066658374 /nfs/dbraw/zinc/65/83/74/1066658374.db2.gz ZKVMRQUMAAEFHY-ISKFKSNPSA-N 1 0 471.646 3.415 20 0 JGADRO COCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001301737488 1066659265 /nfs/dbraw/zinc/65/92/65/1066659265.db2.gz YUAZBBQIRZCPFV-UHFFFAOYSA-N 1 0 483.686 3.155 20 0 JGADRO 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ICPSSUCIHREVJI-UHFFFAOYSA-N 1 0 499.660 3.336 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302271992 1066830797 /nfs/dbraw/zinc/83/07/97/1066830797.db2.gz FNQQZMUDRQINFH-OKYOBFRVSA-N 1 0 489.583 3.280 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302272459 1066831288 /nfs/dbraw/zinc/83/12/88/1066831288.db2.gz HFEQLEWCHBIMKV-WIYBCGNWSA-N 1 0 463.667 3.374 20 0 JGADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001301853317 1066831391 /nfs/dbraw/zinc/83/13/91/1066831391.db2.gz KJUGUGDXDLTTML-JPYJTQIMSA-N 1 0 477.078 3.388 20 0 JGADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001301854039 1066832878 /nfs/dbraw/zinc/83/28/78/1066832878.db2.gz SHESNIVIJGHDMV-QUCCMNQESA-N 1 0 474.053 3.466 20 0 JGADRO COC[C@@H]1CCO[C@@H]1c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CC(C)(C)C[NH+](C)C ZINC001302273368 1066833249 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CS(=O)(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCCCCC2)CC1 ZINC001302440482 1067036689 /nfs/dbraw/zinc/03/66/89/1067036689.db2.gz YZYAZZLRZNSYGF-UHFFFAOYSA-N 1 0 466.051 3.488 20 0 JGADRO CC(C)C(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001302441829 1067038743 /nfs/dbraw/zinc/03/87/43/1067038743.db2.gz FHUZJIYXIUPZLN-UHFFFAOYSA-N 1 0 475.037 3.062 20 0 JGADRO CC(C)C(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302442865 1067040335 /nfs/dbraw/zinc/04/03/35/1067040335.db2.gz DWHDUKRXUQEQFC-UHFFFAOYSA-N 1 0 459.038 3.359 20 0 JGADRO CC1=C(Br)CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303999159 1067041727 /nfs/dbraw/zinc/04/17/27/1067041727.db2.gz PFPDPSRWCLITRH-NRFANRHFSA-N 1 0 498.372 3.492 20 0 JGADRO CC(C)C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001302443685 1067041962 /nfs/dbraw/zinc/04/19/62/1067041962.db2.gz KIAUHOAZNIUORN-PKTZIBPZSA-N 1 0 474.694 3.427 20 0 JGADRO Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001304006326 1067048780 /nfs/dbraw/zinc/04/87/80/1067048780.db2.gz QZCWWZHDBAXWSC-JOCHJYFZSA-N 1 0 486.661 3.134 20 0 JGADRO CC(C)C(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001302450938 1067051721 /nfs/dbraw/zinc/05/17/21/1067051721.db2.gz FAXSXZYTJHWUHJ-HXUWFJFHSA-N 1 0 472.609 3.223 20 0 JGADRO Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC001304010243 1067052358 /nfs/dbraw/zinc/05/23/58/1067052358.db2.gz HTUVCNHUDPDIHW-GGAORHGYSA-N 1 0 495.672 3.289 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cc(F)ccc2Br)n1CC[N@@H+](C)C(C)C ZINC001302452654 1067054532 /nfs/dbraw/zinc/05/45/32/1067054532.db2.gz XLMLKEODQOWLAH-UHFFFAOYSA-N 1 0 483.430 3.395 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001302452735 1067054880 /nfs/dbraw/zinc/05/48/80/1067054880.db2.gz AAQBLULIPPBVOR-QGZVFWFLSA-N 1 0 489.462 3.400 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N(C)[C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC001304012093 1067055503 /nfs/dbraw/zinc/05/55/03/1067055503.db2.gz BFWVNMHECSHSIF-VXKWHMMOSA-N 1 0 471.646 3.495 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC001304018395 1067062004 /nfs/dbraw/zinc/06/20/04/1067062004.db2.gz JDGBXAMFDXSMPT-MQSCRBSSSA-N 1 0 498.672 3.203 20 0 JGADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1([NH+](C)C)CCC1 ZINC001302459313 1067062176 /nfs/dbraw/zinc/06/21/76/1067062176.db2.gz JWYQAUFDGFDSON-UHFFFAOYSA-N 1 0 451.619 3.043 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC001304018394 1067062203 /nfs/dbraw/zinc/06/22/03/1067062203.db2.gz JDGBXAMFDXSMPT-FUPPJEDESA-N 1 0 498.672 3.203 20 0 JGADRO CS(=O)(=O)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001302460656 1067063573 /nfs/dbraw/zinc/06/35/73/1067063573.db2.gz XKODMJISPBYLPI-HXUWFJFHSA-N 1 0 466.051 3.022 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304022457 1067066802 /nfs/dbraw/zinc/06/68/02/1067066802.db2.gz CYODCYNMZVKOQK-FPOVZHCZSA-N 1 0 468.646 3.434 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC001304023322 1067068484 /nfs/dbraw/zinc/06/84/84/1067068484.db2.gz LOBRFVUFUCAHFN-WWNPGLIZSA-N 1 0 498.672 3.238 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304023532 1067068953 /nfs/dbraw/zinc/06/89/53/1067068953.db2.gz NKRYCBLGYBIRDD-NRSPTQNISA-N 1 0 468.646 3.480 20 0 JGADRO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCn2ccnn2)c1C ZINC001304024249 1067069926 /nfs/dbraw/zinc/06/99/26/1067069926.db2.gz BOKDEYDAXLGREO-OAQYLSRUSA-N 1 0 452.607 3.247 20 0 JGADRO CC(C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001302470009 1067073787 /nfs/dbraw/zinc/07/37/87/1067073787.db2.gz FIDMUBXFEZTNJT-QHCPKHFHSA-N 1 0 452.647 3.494 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCOC2)c1C ZINC001304027747 1067074891 /nfs/dbraw/zinc/07/48/91/1067074891.db2.gz ZRMYECADOVIZKU-HFZDXXHNSA-N 1 0 471.646 3.497 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC001304028425 1067075551 /nfs/dbraw/zinc/07/55/51/1067075551.db2.gz FNIRQFHOFJHTNI-FCHUYYIVSA-N 1 0 468.646 3.482 20 0 JGADRO CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCCCC2)CC1 ZINC001302474747 1067077254 /nfs/dbraw/zinc/07/72/54/1067077254.db2.gz MVVJKCDGHWSPDD-UHFFFAOYSA-N 1 0 499.056 3.085 20 0 JGADRO CC1=C(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001304029786 1067077776 /nfs/dbraw/zinc/07/77/76/1067077776.db2.gz YDDPMUHQOPWPEW-UXHICEINSA-N 1 0 452.669 3.089 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(c4cnn(C)c4)CC3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304030892 1067078704 /nfs/dbraw/zinc/07/87/04/1067078704.db2.gz QZJKSYRNBSEFTI-CTNGQTDRSA-N 1 0 466.634 3.045 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC(C)=C(C)C2)n1CC[N@@H+](C)C(C)C ZINC001304031052 1067078854 /nfs/dbraw/zinc/07/88/54/1067078854.db2.gz BCQYOWCTXHOWDX-UHFFFAOYSA-N 1 0 459.664 3.433 20 0 JGADRO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCNC(=O)C2CC2)c1C ZINC001304031742 1067080352 /nfs/dbraw/zinc/08/03/52/1067080352.db2.gz XJKBOBQLZDZVTC-NRFANRHFSA-N 1 0 468.646 3.339 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001302487443 1067086526 /nfs/dbraw/zinc/08/65/26/1067086526.db2.gz KHBRVUFMEQZWAL-NFBKMPQASA-N 1 0 492.462 3.416 20 0 JGADRO Cc1nc(CN2CCN(c3nnc(CCCc4ccccc4)n3C[C@H](C)[NH+](C)C)CC2)oc1C ZINC001304046255 1067089164 /nfs/dbraw/zinc/08/91/64/1067089164.db2.gz XFMHTJKGAKMUOK-FQEVSTJZSA-N 1 0 465.646 3.331 20 0 JGADRO Cc1nc([C@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3CC[N@@H+](C)C(C)C)C2)sc1C ZINC001304046604 1067089735 /nfs/dbraw/zinc/08/97/35/1067089735.db2.gz ZZGFAUUHRMGALJ-IBGZPJMESA-N 1 0 459.664 3.312 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001302490348 1067091171 /nfs/dbraw/zinc/09/11/71/1067091171.db2.gz ZDEIDMXAURDHCZ-HHHXNRCGSA-N 1 0 477.657 3.001 20 0 JGADRO Cc1nc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)sc1C ZINC001304052833 1067094340 /nfs/dbraw/zinc/09/43/40/1067094340.db2.gz YSLYGQBFDOAKCA-UHFFFAOYSA-N 1 0 456.664 3.434 20 0 JGADRO CC(C)[C@](C)(O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302498186 1067096324 /nfs/dbraw/zinc/09/63/24/1067096324.db2.gz QLSHSZUYSUJIMD-FQRUVTKNSA-N 1 0 490.693 3.474 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302498185 1067096407 /nfs/dbraw/zinc/09/64/07/1067096407.db2.gz QLSHSZUYSUJIMD-FNZWTVRRSA-N 1 0 490.693 3.474 20 0 JGADRO CC(C)[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302498894 1067097312 /nfs/dbraw/zinc/09/73/12/1067097312.db2.gz VWHODGUQHBCABL-UQBPGWFLSA-N 1 0 477.600 3.103 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302499453 1067097598 /nfs/dbraw/zinc/09/75/98/1067097598.db2.gz BPDMFLBSCXVOIR-BVAGGSTKSA-N 1 0 455.647 3.019 20 0 JGADRO Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(F)(F)F ZINC001304059233 1067101764 /nfs/dbraw/zinc/10/17/64/1067101764.db2.gz PUSWYGZCVSNVCK-UHFFFAOYSA-N 1 0 487.596 3.420 20 0 JGADRO Cc1n[nH]cc1CCCn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001304063912 1067107915 /nfs/dbraw/zinc/10/79/15/1067107915.db2.gz HHEOEVCFASPTIF-VWLOTQADSA-N 1 0 473.666 3.294 20 0 JGADRO Cc1n[nH]cc1CCCn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001304063911 1067107961 /nfs/dbraw/zinc/10/79/61/1067107961.db2.gz HHEOEVCFASPTIF-RUZDIDTESA-N 1 0 473.666 3.294 20 0 JGADRO Cc1n[nH]cc1CCCn1c(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001304064797 1067109388 /nfs/dbraw/zinc/10/93/88/1067109388.db2.gz XUSXVGIBSKQMSF-QFIPXVFZSA-N 1 0 451.619 3.096 20 0 JGADRO CC(C)[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001302506781 1067109940 /nfs/dbraw/zinc/10/99/40/1067109940.db2.gz ZQTLKSLHCRAYFB-SANMLTNESA-N 1 0 496.681 3.389 20 0 JGADRO C[S@@](=O)C1(Cn2c(CCOc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC001302508880 1067113526 /nfs/dbraw/zinc/11/35/26/1067113526.db2.gz VBCZLRLZNRRMAC-JGCGQSQUSA-N 1 0 459.660 3.121 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001302510584 1067118746 /nfs/dbraw/zinc/11/87/46/1067118746.db2.gz MJYJGBCHCPQWNR-FUDKSRODSA-N 1 0 474.694 3.280 20 0 JGADRO Cc1c(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[N@H+](C)C2CC2)cnn1C ZINC001304076257 1067120402 /nfs/dbraw/zinc/12/04/02/1067120402.db2.gz KUDBHDOFKQNUBZ-INIZCTEOSA-N 1 0 485.036 3.023 20 0 JGADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCCCC2)CC1 ZINC001302511139 1067121202 /nfs/dbraw/zinc/12/12/02/1067121202.db2.gz QPVLVLVWMDHFQD-UNMCSNQZSA-N 1 0 460.667 3.383 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCCCC2)cnn1C ZINC001304076945 1067121705 /nfs/dbraw/zinc/12/17/05/1067121705.db2.gz ANUBKNRYTCTCRH-RUZDIDTESA-N 1 0 473.666 3.262 20 0 JGADRO Cc1c(CN(C)c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCC(O)CC2)cnn1C ZINC001304078303 1067123094 /nfs/dbraw/zinc/12/30/94/1067123094.db2.gz JOJRGUUYRIDTCE-UHFFFAOYSA-N 1 0 458.010 3.124 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cnn1C ZINC001304077648 1067123109 /nfs/dbraw/zinc/12/31/09/1067123109.db2.gz GWBPVGRPDVEZJE-YZIHRLCOSA-N 1 0 487.693 3.365 20 0 JGADRO Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)cnn1C ZINC001304079698 1067124223 /nfs/dbraw/zinc/12/42/23/1067124223.db2.gz PSWJMFNFEMEVNP-ZEQKJWHPSA-N 1 0 481.645 3.300 20 0 JGADRO Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+]2CCCC2)cnn1C ZINC001304079611 1067124338 /nfs/dbraw/zinc/12/43/38/1067124338.db2.gz OUQGXKOAPKBSCC-VWLOTQADSA-N 1 0 473.666 3.119 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001302512820 1067125587 /nfs/dbraw/zinc/12/55/87/1067125587.db2.gz GOPQKQSXBWLUFQ-BEFAXECRSA-N 1 0 493.425 3.279 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC001302513094 1067126933 /nfs/dbraw/zinc/12/69/33/1067126933.db2.gz HXQYQKSSDZULCZ-FQEVSTJZSA-N 1 0 477.053 3.306 20 0 JGADRO CC(C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCCC1 ZINC001302513314 1067127370 /nfs/dbraw/zinc/12/73/70/1067127370.db2.gz IIAMBTYSUKIGMU-FQEVSTJZSA-N 1 0 476.572 3.369 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CO)CC1)[NH+]1CCCC1 ZINC001302514111 1067130033 /nfs/dbraw/zinc/13/00/33/1067130033.db2.gz NWRDJNNEAGPZTO-LJQANCHMSA-N 1 0 465.440 3.365 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCSC[C@@H]1C)[NH+]1CCOCC1 ZINC001302514128 1067130081 /nfs/dbraw/zinc/13/00/81/1067130081.db2.gz OBTMUMUMYNSOJX-QFBILLFUSA-N 1 0 497.507 3.345 20 0 JGADRO O=C(c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001304086565 1067131559 /nfs/dbraw/zinc/13/15/59/1067131559.db2.gz YQLUUJDOWMHDLL-CQSZACIVSA-N 1 0 452.736 3.493 20 0 JGADRO O=C(Nc1ccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC001304086731 1067131589 /nfs/dbraw/zinc/13/15/89/1067131589.db2.gz ZSFAGVWBCQXVNS-CQSZACIVSA-N 1 0 450.322 3.154 20 0 JGADRO O=C(c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001304086561 1067131624 /nfs/dbraw/zinc/13/16/24/1067131624.db2.gz YQLUUJDOWMHDLL-AWEZNQCLSA-N 1 0 452.736 3.493 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001302515280 1067133434 /nfs/dbraw/zinc/13/34/34/1067133434.db2.gz WSLNKEGQWDZVRV-FXAWDEMLSA-N 1 0 478.435 3.290 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001302515933 1067135132 /nfs/dbraw/zinc/13/51/32/1067135132.db2.gz OQZVPBMPHSECPW-NHCUHLMSSA-N 1 0 486.665 3.293 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCOc1ccc(F)cc1)[NH+]1CCOCC1 ZINC001302517663 1067136900 /nfs/dbraw/zinc/13/69/00/1067136900.db2.gz AJWGUPDRRWUZGX-HSZRJFAPSA-N 1 0 470.593 3.295 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC001302519194 1067138489 /nfs/dbraw/zinc/13/84/89/1067138489.db2.gz LWFIADNYIWLQJQ-JOCHJYFZSA-N 1 0 455.651 3.099 20 0 JGADRO Cc1c(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cnn1C ZINC001304097660 1067139457 /nfs/dbraw/zinc/13/94/57/1067139457.db2.gz WPUVMHDZNCLGRC-HXUWFJFHSA-N 1 0 484.674 3.068 20 0 JGADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC001302519391 1067139596 /nfs/dbraw/zinc/13/95/96/1067139596.db2.gz NINGUFMCEVFKPS-JOCHJYFZSA-N 1 0 455.651 3.008 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC001302519392 1067139667 /nfs/dbraw/zinc/13/96/67/1067139667.db2.gz NINGUFMCEVFKPS-QFIPXVFZSA-N 1 0 455.651 3.008 20 0 JGADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001302521464 1067141152 /nfs/dbraw/zinc/14/11/52/1067141152.db2.gz XZGGAGBLFICVTO-UNMCSNQZSA-N 1 0 499.660 3.190 20 0 JGADRO CC(C)[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1)[NH+]1CCCC1 ZINC001302522908 1067142912 /nfs/dbraw/zinc/14/29/12/1067142912.db2.gz GQAKJWIQHRPJAG-UXHICEINSA-N 1 0 462.639 3.306 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCCC1 ZINC001302523409 1067144633 /nfs/dbraw/zinc/14/46/33/1067144633.db2.gz JNNUFBNJKIFZPN-UWJYYQICSA-N 1 0 476.572 3.256 20 0 JGADRO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001302524293 1067146063 /nfs/dbraw/zinc/14/60/63/1067146063.db2.gz FGRRWZBGGWSDFS-PZJWPPBQSA-N 1 0 479.595 3.457 20 0 JGADRO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001302525177 1067147370 /nfs/dbraw/zinc/14/73/70/1067147370.db2.gz QSYLSSFUOVMYDW-QRVBRYPASA-N 1 0 459.557 3.450 20 0 JGADRO CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001302527817 1067154772 /nfs/dbraw/zinc/15/47/72/1067154772.db2.gz ZSBYCORELLISKF-ACRUOGEOSA-N 1 0 481.707 3.085 20 0 JGADRO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC[C@H]1C)[NH+]1CCCC1 ZINC001302528847 1067156490 /nfs/dbraw/zinc/15/64/90/1067156490.db2.gz MRBZMFJOLRZMEP-MSOLQXFVSA-N 1 0 462.689 3.332 20 0 JGADRO CC(C)[C@@H](Cn1c(N(C)CCS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1)[NH+]1CCCC1 ZINC001302528949 1067157131 /nfs/dbraw/zinc/15/71/31/1067157131.db2.gz OTOUEPIYHAGHGA-JOCHJYFZSA-N 1 0 473.687 3.349 20 0 JGADRO CS[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001302533783 1067162772 /nfs/dbraw/zinc/16/27/72/1067162772.db2.gz DBACKAONQGMLQG-SFHVURJKSA-N 1 0 460.623 3.117 20 0 JGADRO Cc1c(Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cnn1CC(C)C ZINC001304127581 1067165699 /nfs/dbraw/zinc/16/56/99/1067165699.db2.gz CQCZKCLEJONIRA-AREMUKBSSA-N 1 0 487.693 3.306 20 0 JGADRO CS[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001302537089 1067169167 /nfs/dbraw/zinc/16/91/67/1067169167.db2.gz VPPNZZTWVMPQIC-VQTJNVASSA-N 1 0 456.660 3.366 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001304135961 1067174105 /nfs/dbraw/zinc/17/41/05/1067174105.db2.gz KGSGJNWALONSRM-SIKLNZKXSA-N 1 0 495.672 3.213 20 0 JGADRO COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001304136445 1067175350 /nfs/dbraw/zinc/17/53/50/1067175350.db2.gz ZSLXKUWYRDBIMA-KBMIEXCESA-N 1 0 452.530 3.136 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304136658 1067175467 /nfs/dbraw/zinc/17/54/67/1067175467.db2.gz UPNIMBXSIDQAMH-NLFFAJNJSA-N 1 0 486.686 3.301 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2CCC2)n1CCCC[NH+]1CCOCC1 ZINC001304136542 1067175497 /nfs/dbraw/zinc/17/54/97/1067175497.db2.gz QVSFXEMMWJHBNH-UHFFFAOYSA-N 1 0 454.619 3.350 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCNC(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001304137490 1067177172 /nfs/dbraw/zinc/17/71/72/1067177172.db2.gz FDPQALDJFCTPQT-IBGZPJMESA-N 1 0 475.037 3.356 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304138477 1067178794 /nfs/dbraw/zinc/17/87/94/1067178794.db2.gz FUFQEVVVJDAVSO-KOSHJBKYSA-N 1 0 488.036 3.125 20 0 JGADRO CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302545233 1067178882 /nfs/dbraw/zinc/17/88/82/1067178882.db2.gz HMIRPIRUIPHNGV-NNMXDRDESA-N 1 0 456.660 3.076 20 0 JGADRO CC(C)c1nc([C@@H]2CN(c3nnc(C(C)C)n3Cc3cccc(OCC[NH+](C)C)c3)CCO2)no1 ZINC001302545365 1067179451 /nfs/dbraw/zinc/17/94/51/1067179451.db2.gz HRQHTJXVWRJYCA-NRFANRHFSA-N 1 0 483.617 3.475 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001304139129 1067180046 /nfs/dbraw/zinc/18/00/46/1067180046.db2.gz LUWNTSRPUQRLCD-RBUKOAKNSA-N 1 0 475.037 3.451 20 0 JGADRO CS[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001302545710 1067180132 /nfs/dbraw/zinc/18/01/32/1067180132.db2.gz UBPFYAOQDJAXQO-QGZVFWFLSA-N 1 0 463.051 3.094 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304140876 1067182278 /nfs/dbraw/zinc/18/22/78/1067182278.db2.gz OCHRERHTFCYCSB-YBJWPOLQSA-N 1 0 478.037 3.369 20 0 JGADRO CS[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001302548075 1067184000 /nfs/dbraw/zinc/18/40/00/1067184000.db2.gz MLFFWXIRVYGBAU-ROUUACIJSA-N 1 0 477.700 3.411 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CC[NH+]1CCCCC1 ZINC001304141554 1067184046 /nfs/dbraw/zinc/18/40/46/1067184046.db2.gz QHXMDYZXMFBCKD-RTBURBONSA-N 1 0 475.037 3.486 20 0 JGADRO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCOCC[NH+](C)C ZINC001304143096 1067184781 /nfs/dbraw/zinc/18/47/81/1067184781.db2.gz AWMWGYQABSHDAG-BSIFCXSSSA-N 1 0 480.053 3.474 20 0 JGADRO Cc1cc(C(=O)N2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCC(C)CC3)CC2)c(C)o1 ZINC001304143511 1067185414 /nfs/dbraw/zinc/18/54/14/1067185414.db2.gz GIAVTALGSIAZRQ-UHFFFAOYSA-N 1 0 456.635 3.480 20 0 JGADRO CC(C)c1ncc(CN(C)c2nnc(-c3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)cn1 ZINC001302552141 1067188762 /nfs/dbraw/zinc/18/87/62/1067188762.db2.gz NKPSIORXMAGFQY-QHCPKHFHSA-N 1 0 452.632 3.327 20 0 JGADRO Cc1cc(C(=O)NC2CCN(c3nnc([C@H]4CCCO4)n3CCC[N@@H+](C)C(C)C)CC2)c(C)o1 ZINC001304147139 1067191993 /nfs/dbraw/zinc/19/19/93/1067191993.db2.gz NXMJWTXFJOSMDQ-JOCHJYFZSA-N 1 0 472.634 3.469 20 0 JGADRO CS[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001302556196 1067194618 /nfs/dbraw/zinc/19/46/18/1067194618.db2.gz WKPUIQLLQPIZJY-HXUWFJFHSA-N 1 0 457.692 3.395 20 0 JGADRO CC(C)c1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CC=CCC2)cn1 ZINC001302557571 1067197033 /nfs/dbraw/zinc/19/70/33/1067197033.db2.gz MWPOSHHGVCJMEC-UHFFFAOYSA-N 1 0 480.642 3.081 20 0 JGADRO Cc1cc([C@](C)(O)Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](C(C)C)CC2)c(C)o1 ZINC001304152058 1067198703 /nfs/dbraw/zinc/19/87/03/1067198703.db2.gz KPYCIRVMCXJOGK-HSZRJFAPSA-N 1 0 458.632 3.282 20 0 JGADRO CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302559705 1067200480 /nfs/dbraw/zinc/20/04/80/1067200480.db2.gz ZSUOWKPIUNAMMM-KRWDZBQOSA-N 1 0 465.614 3.447 20 0 JGADRO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001302560425 1067201135 /nfs/dbraw/zinc/20/11/35/1067201135.db2.gz DOWZPYWXOOQVET-LGVFNWMJSA-N 1 0 484.714 3.308 20 0 JGADRO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001302564311 1067203760 /nfs/dbraw/zinc/20/37/60/1067203760.db2.gz XMJWTMRDEVUVMW-WIYYLYMNSA-N 1 0 462.664 3.367 20 0 JGADRO CS[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001302565608 1067204916 /nfs/dbraw/zinc/20/49/16/1067204916.db2.gz FMXCMULQFXHTFL-HXUWFJFHSA-N 1 0 469.659 3.363 20 0 JGADRO Cc1cc(C)cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001304162970 1067209804 /nfs/dbraw/zinc/20/98/04/1067209804.db2.gz CPSOKBCAHQGKRH-SFTDATJTSA-N 1 0 488.702 3.058 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3c(C)cc(C)cc3C)n2CC[NH+]2CCCC2)n1 ZINC001304162889 1067209846 /nfs/dbraw/zinc/20/98/46/1067209846.db2.gz BSQHPTKGOMPIRK-UHFFFAOYSA-N 1 0 478.645 3.236 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001304168302 1067215218 /nfs/dbraw/zinc/21/52/18/1067215218.db2.gz GMHXIQIDRQDECW-QFIPXVFZSA-N 1 0 471.646 3.448 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304169008 1067216551 /nfs/dbraw/zinc/21/65/51/1067216551.db2.gz DDMPPFGSIFWRFC-WPFOTENUSA-N 1 0 498.672 3.030 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304169002 1067216572 /nfs/dbraw/zinc/21/65/72/1067216572.db2.gz DDMPPFGSIFWRFC-AOHZBQACSA-N 1 0 498.672 3.030 20 0 JGADRO CS[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC001302579621 1067217784 /nfs/dbraw/zinc/21/77/84/1067217784.db2.gz KXQPVTUKJAFXLJ-HKUYNNGSSA-N 1 0 486.752 3.121 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H](N4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304171558 1067219259 /nfs/dbraw/zinc/21/92/59/1067219259.db2.gz RVYHQCMKNJDJAA-ILBGXUMGSA-N 1 0 484.689 3.361 20 0 JGADRO CS[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC001302582217 1067221058 /nfs/dbraw/zinc/22/10/58/1067221058.db2.gz WUXOONDKUVXIND-NHCUHLMSSA-N 1 0 470.687 3.372 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001304175511 1067224233 /nfs/dbraw/zinc/22/42/33/1067224233.db2.gz YVDXLZUOPMFKDV-NRFANRHFSA-N 1 0 456.635 3.152 20 0 JGADRO CSC1(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cc(C)cs2)CC[NH+](C)CC1 ZINC001302590460 1067227694 /nfs/dbraw/zinc/22/76/94/1067227694.db2.gz IHZBVBAWJBYESA-UHFFFAOYSA-N 1 0 450.678 3.250 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 ZINC001304179365 1067228892 /nfs/dbraw/zinc/22/88/92/1067228892.db2.gz UZMALKJESNVPOW-FCHUYYIVSA-N 1 0 471.646 3.324 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[NH+]2CCCC2)c1 ZINC001304181128 1067229796 /nfs/dbraw/zinc/22/97/96/1067229796.db2.gz AZHPTCPIGBRBLZ-QHCPKHFHSA-N 1 0 457.619 3.200 20 0 JGADRO CSC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC[NH+](C)CC1 ZINC001302592720 1067230600 /nfs/dbraw/zinc/23/06/00/1067230600.db2.gz YNLUUVOCSUMCDP-INIZCTEOSA-N 1 0 474.597 3.120 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001304182358 1067231957 /nfs/dbraw/zinc/23/19/57/1067231957.db2.gz MIUZOZZYVWAAMX-RTWAWAEBSA-N 1 0 470.618 3.091 20 0 JGADRO CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC[NH+](C)CC1 ZINC001302597649 1067234250 /nfs/dbraw/zinc/23/42/50/1067234250.db2.gz NNRMXSAOXVTCJD-SFHVURJKSA-N 1 0 484.091 3.049 20 0 JGADRO CSC1(Cn2c(-c3ccc(C)o3)nnc2N(C)CC(C)(C)CN2CCOCC2)CC[NH+](C)CC1 ZINC001302599041 1067235371 /nfs/dbraw/zinc/23/53/71/1067235371.db2.gz BGLBJWZVTMCTGD-UHFFFAOYSA-N 1 0 490.718 3.469 20 0 JGADRO Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)C4(CCCCC4)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304185625 1067236841 /nfs/dbraw/zinc/23/68/41/1067236841.db2.gz WGZMZMLYYKTSCI-OAQYLSRUSA-N 1 0 489.686 3.362 20 0 JGADRO Cc1cc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCC[N@H+](C)C(C)C)c2ccccc2n1 ZINC001304191237 1067241346 /nfs/dbraw/zinc/24/13/46/1067241346.db2.gz YHCZNXBEADEGLC-IBGZPJMESA-N 1 0 472.659 3.401 20 0 JGADRO CC(C)c1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001302607182 1067241406 /nfs/dbraw/zinc/24/14/06/1067241406.db2.gz RKJCODWTVMTXLJ-UHFFFAOYSA-N 1 0 490.052 3.416 20 0 JGADRO CSC1(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C)=C(Br)C2)CC[NH+](C)CC1 ZINC001302608171 1067242305 /nfs/dbraw/zinc/24/23/05/1067242305.db2.gz FMFIMWCCPJRZNU-UHFFFAOYSA-N 1 0 480.480 3.385 20 0 JGADRO CSC1(Cn2c(CC(C)C)nnc2N2CCC(Nc3cccnn3)CC2)CC[NH+](C)CC1 ZINC001302609680 1067243724 /nfs/dbraw/zinc/24/37/24/1067243724.db2.gz BCQARSVHCGKGHW-UHFFFAOYSA-N 1 0 458.680 3.175 20 0 JGADRO CSC1(Cn2c(C3CC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001302610526 1067244138 /nfs/dbraw/zinc/24/41/38/1067244138.db2.gz AWADBFBRXBBTPJ-SJLPKXTDSA-N 1 0 464.680 3.332 20 0 JGADRO CSC1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001302612556 1067245814 /nfs/dbraw/zinc/24/58/14/1067245814.db2.gz MJPXJQWZZAEYEB-OALUTQOASA-N 1 0 494.706 3.055 20 0 JGADRO CSC1(Cn2c(C3CCC3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC[NH+](C)CC1 ZINC001302612466 1067245823 /nfs/dbraw/zinc/24/58/23/1067245823.db2.gz OOEDTFFENUUFCM-LJQANCHMSA-N 1 0 462.708 3.362 20 0 JGADRO CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C)s2)CC[NH+](C)CC1 ZINC001302613986 1067247355 /nfs/dbraw/zinc/24/73/55/1067247355.db2.gz SOMATMBMYFKWMN-KRWDZBQOSA-N 1 0 483.729 3.014 20 0 JGADRO Cc1cccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001304198053 1067247791 /nfs/dbraw/zinc/24/77/91/1067247791.db2.gz KMFXYADIBCJQTP-PXNSSMCTSA-N 1 0 476.672 3.198 20 0 JGADRO CSC1(Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3cc(C)oc3C)CC2)CC[NH+](C)CC1 ZINC001302616306 1067250013 /nfs/dbraw/zinc/25/00/13/1067250013.db2.gz BYVNMDDIVQRCIO-UHFFFAOYSA-N 1 0 488.702 3.476 20 0 JGADRO Cc1cc(CN(C)c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@H](C)[NH+](C)C)no1 ZINC001304206198 1067252377 /nfs/dbraw/zinc/25/23/77/1067252377.db2.gz ZKXWAEIKHIQLMX-INIZCTEOSA-N 1 0 464.574 3.119 20 0 JGADRO CSC1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)C2)CC[NH+](C)CC1 ZINC001302624435 1067254578 /nfs/dbraw/zinc/25/45/78/1067254578.db2.gz ATUOTVCWSKYGMW-UHFFFAOYSA-N 1 0 495.118 3.330 20 0 JGADRO CSC1(Cn2c(N(C)[C@H]3CCCN(c4cccnn4)C3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302625186 1067255436 /nfs/dbraw/zinc/25/54/36/1067255436.db2.gz NWTBCJDCFZSRQC-IBGZPJMESA-N 1 0 472.707 3.298 20 0 JGADRO CSC1(Cn2c(N3C[C@@H](C)O[C@]4(CCCOC4)C3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302625678 1067255985 /nfs/dbraw/zinc/25/59/85/1067255985.db2.gz VEHRXJJZRBFFTN-XMSQKQJNSA-N 1 0 451.681 3.177 20 0 JGADRO CSC1(Cn2c(CCCc3ccccc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC[NH+](C)CC1 ZINC001302625962 1067256030 /nfs/dbraw/zinc/25/60/30/1067256030.db2.gz JLBUXTSXBBTAJR-JOCHJYFZSA-N 1 0 484.714 3.373 20 0 JGADRO CC(C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001302626480 1067256439 /nfs/dbraw/zinc/25/64/39/1067256439.db2.gz BOUSYAQWBCNYKA-UHFFFAOYSA-N 1 0 488.702 3.079 20 0 JGADRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(NS(=O)(=O)c4ccc(Br)cc4)c3)C[C@]2(C)C1 ZINC001304214570 1067257547 /nfs/dbraw/zinc/25/75/47/1067257547.db2.gz XUSDKOUXJDCQOB-IERDGZPVSA-N 1 0 478.412 3.274 20 0 JGADRO Cc1ccc(C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1S(N)(=O)=O ZINC001304217194 1067259462 /nfs/dbraw/zinc/25/94/62/1067259462.db2.gz AEHLCSPZSVOMJL-JYFHCDHNSA-N 1 0 463.603 3.431 20 0 JGADRO CSc1cc(C)ccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302631877 1067260650 /nfs/dbraw/zinc/26/06/50/1067260650.db2.gz FATQFBDEYPPGMV-SFHVURJKSA-N 1 0 494.731 3.278 20 0 JGADRO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218946 1067260770 /nfs/dbraw/zinc/26/07/70/1067260770.db2.gz TUPMDGOAQDJHBX-AZGAKELHSA-N 1 0 463.603 3.431 20 0 JGADRO CSC1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001302632402 1067261043 /nfs/dbraw/zinc/26/10/43/1067261043.db2.gz CRBCKOAQWUTLQH-RBUKOAKNSA-N 1 0 494.706 3.403 20 0 JGADRO CSC1(Cn2c(N3CCOC(C)(C)[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001302634708 1067263986 /nfs/dbraw/zinc/26/39/86/1067263986.db2.gz OGXBIBLCNGALPW-YADARESESA-N 1 0 481.707 3.150 20 0 JGADRO Cc1cc(CN2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@@H](C)[NH+](C)C)CC2)no1 ZINC001304229500 1067266916 /nfs/dbraw/zinc/26/69/16/1067266916.db2.gz BGIJILRONZRNDI-MJGOQNOKSA-N 1 0 471.581 3.126 20 0 JGADRO CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001302638262 1067268278 /nfs/dbraw/zinc/26/82/78/1067268278.db2.gz BQDTZZNQRDLEJM-UHFFFAOYSA-N 1 0 457.623 3.062 20 0 JGADRO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCCN1CCCCCC1=O ZINC001302639865 1067269622 /nfs/dbraw/zinc/26/96/22/1067269622.db2.gz XBKUTBBNQVNKCO-UHFFFAOYSA-N 1 0 460.667 3.275 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001302651785 1067278367 /nfs/dbraw/zinc/27/83/67/1067278367.db2.gz DQSPJIAYGPDRCS-SFTDATJTSA-N 1 0 468.712 3.164 20 0 JGADRO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCCC[N@@H+]3CCC[C@H]3CO)CC2)nc(C(C)C)n1 ZINC001304245063 1067280130 /nfs/dbraw/zinc/28/01/30/1067280130.db2.gz FQYTYPKTZFOTCW-QFIPXVFZSA-N 1 0 484.693 3.187 20 0 JGADRO Cc1cc(N2CCN(c3nnc([C@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)CC2)nc(C(C)C)n1 ZINC001304245305 1067280599 /nfs/dbraw/zinc/28/05/99/1067280599.db2.gz KNUNVKVDUCSJTP-NRFANRHFSA-N 1 0 484.693 3.308 20 0 JGADRO CC(C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001302654370 1067281871 /nfs/dbraw/zinc/28/18/71/1067281871.db2.gz HFMWYSKHERSRPG-HXUWFJFHSA-N 1 0 488.702 3.004 20 0 JGADRO Cc1cccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001304249211 1067284350 /nfs/dbraw/zinc/28/43/50/1067284350.db2.gz DWXAMQKQZHBXRF-FCHUYYIVSA-N 1 0 468.646 3.458 20 0 JGADRO CC(C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001302655827 1067284343 /nfs/dbraw/zinc/28/43/43/1067284343.db2.gz VYCQSIJQZRTKCZ-FQEVSTJZSA-N 1 0 494.731 3.141 20 0 JGADRO CSc1cccc(F)c1Cn1c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001302658682 1067286166 /nfs/dbraw/zinc/28/61/66/1067286166.db2.gz NWPYJMFKYAWKQF-UHFFFAOYSA-N 1 0 474.650 3.229 20 0 JGADRO CSc1ccccc1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001302658713 1067286670 /nfs/dbraw/zinc/28/66/70/1067286670.db2.gz OODQBGDBRXFMBO-FQEVSTJZSA-N 1 0 486.686 3.373 20 0 JGADRO CSc1ccccc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302658698 1067286689 /nfs/dbraw/zinc/28/66/89/1067286689.db2.gz OFOHXJRBBKLLOP-YLJYHZDGSA-N 1 0 494.731 3.367 20 0 JGADRO CS[C@@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCC[NH+]2CCOCC2)C1 ZINC001302666729 1067293779 /nfs/dbraw/zinc/29/37/79/1067293779.db2.gz SBHGLRHDGMRQCA-QPPBQGQZSA-N 1 0 481.707 3.153 20 0 JGADRO Cc1ccc(C(=O)NC2CCN(c3nnc(Cc4cccnc4)n3CC[N@@H+](C)C(C)C)CC2)s1 ZINC001304260225 1067295047 /nfs/dbraw/zinc/29/50/47/1067295047.db2.gz NUZIGYHYGHQLHI-UHFFFAOYSA-N 1 0 481.670 3.373 20 0 JGADRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001302668306 1067295354 /nfs/dbraw/zinc/29/53/54/1067295354.db2.gz IHUYPNBLOVOZFX-UHFFFAOYSA-N 1 0 484.645 3.408 20 0 JGADRO Cc1ccc(C(=O)N2CCN(c3nnc(CC(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC001304260698 1067295986 /nfs/dbraw/zinc/29/59/86/1067295986.db2.gz VXYYWSNIXFIZRJ-QHCPKHFHSA-N 1 0 482.673 3.248 20 0 JGADRO 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CC(C)[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001302771796 1067369543 /nfs/dbraw/zinc/36/95/43/1067369543.db2.gz CVMHLAZYYLOZLQ-IAGOWNOFSA-N 1 0 498.491 3.477 20 0 JGADRO Cc1ccc(-c2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2CCCOCC(C)C)o1 ZINC001304322536 1067370269 /nfs/dbraw/zinc/37/02/69/1067370269.db2.gz KJPGEAWOGOMMSG-UHFFFAOYSA-N 1 0 455.607 3.355 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2CCOCC[NH+](C)C)o1 ZINC001304322660 1067370357 /nfs/dbraw/zinc/37/03/57/1067370357.db2.gz YQENERUXNHTHCB-UHFFFAOYSA-N 1 0 487.004 3.041 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001302773653 1067371233 /nfs/dbraw/zinc/37/12/33/1067371233.db2.gz HSPSVYUXKBWVMD-NFBKMPQASA-N 1 0 451.619 3.450 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)n2C[C@H](C)[NH+](C)C)o1 ZINC001304323815 1067371892 /nfs/dbraw/zinc/37/18/92/1067371892.db2.gz BPCPMYXBYSAGLH-IBGZPJMESA-N 1 0 479.629 3.174 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001304324399 1067372720 /nfs/dbraw/zinc/37/27/20/1067372720.db2.gz SWSOMRGZEKVQJF-IRXDYDNUSA-N 1 0 475.435 3.167 20 0 JGADRO Cc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001304324397 1067372739 /nfs/dbraw/zinc/37/27/39/1067372739.db2.gz SWSOMRGZEKVQJF-DLBZAZTESA-N 1 0 475.435 3.167 20 0 JGADRO CSCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCOCC1 ZINC001302776188 1067373190 /nfs/dbraw/zinc/37/31/90/1067373190.db2.gz GAQHMMJWXLBISS-UHFFFAOYSA-N 1 0 471.469 3.336 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)o1 ZINC001304325177 1067373596 /nfs/dbraw/zinc/37/35/96/1067373596.db2.gz UBNPISNNAMHJMM-OFVILXPXSA-N 1 0 453.587 3.109 20 0 JGADRO Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC(=O)NCc2ccccc2)o1 ZINC001304326195 1067375374 /nfs/dbraw/zinc/37/53/74/1067375374.db2.gz SBTGRTNRXRWWST-UHFFFAOYSA-N 1 0 450.587 3.331 20 0 JGADRO CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)[NH+](C)C)CCS1 ZINC001302781951 1067375997 /nfs/dbraw/zinc/37/59/97/1067375997.db2.gz DTALVGXSFWBPOO-HKUYNNGSSA-N 1 0 462.689 3.343 20 0 JGADRO CSCCCN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001302782566 1067376270 /nfs/dbraw/zinc/37/62/70/1067376270.db2.gz CKWQLJJJEVOWOZ-OAQYLSRUSA-N 1 0 452.628 3.144 20 0 JGADRO Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1Br ZINC001304328191 1067376592 /nfs/dbraw/zinc/37/65/92/1067376592.db2.gz OCKQZSALJDSUNP-MRXNPFEDSA-N 1 0 480.476 3.317 20 0 JGADRO Cc1ccc(-c2nnc(N3CCOCC4(CC4)C3)n2CCOCC[NH+](C)C)cc1Br ZINC001304328256 1067376994 /nfs/dbraw/zinc/37/69/94/1067376994.db2.gz OSZAKHNPBOPDES-UHFFFAOYSA-N 1 0 478.435 3.211 20 0 JGADRO Cc1ccc(-c2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001304328325 1067377021 /nfs/dbraw/zinc/37/70/21/1067377021.db2.gz PSMPRXNSXGVIAF-DRSNIGMVSA-N 1 0 478.435 3.350 20 0 JGADRO Cc1ccc(-c2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001304328326 1067377065 /nfs/dbraw/zinc/37/70/65/1067377065.db2.gz PSMPRXNSXGVIAF-GSHUGGBRSA-N 1 0 478.435 3.350 20 0 JGADRO CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001302788056 1067379757 /nfs/dbraw/zinc/37/97/57/1067379757.db2.gz KINRRPCNLPWJMM-ZWKOTPCHSA-N 1 0 488.683 3.495 20 0 JGADRO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2CCCCC2)s1 ZINC001304338780 1067384294 /nfs/dbraw/zinc/38/42/94/1067384294.db2.gz RBIFSTPYGBVUPL-KRWDZBQOSA-N 1 0 468.693 3.159 20 0 JGADRO CSCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001302798974 1067388001 /nfs/dbraw/zinc/38/80/01/1067388001.db2.gz FINKOQFKLGLCOP-UHFFFAOYSA-N 1 0 463.051 3.096 20 0 JGADRO CSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001302799628 1067388621 /nfs/dbraw/zinc/38/86/21/1067388621.db2.gz PUIFTGSKPUBTMM-IBGZPJMESA-N 1 0 463.673 3.166 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(Cl)nc2C1)[NH+](C)C ZINC001302804449 1067392607 /nfs/dbraw/zinc/39/26/07/1067392607.db2.gz QNXQGQHWBIBIFM-SFHVURJKSA-N 1 0 460.026 3.102 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)c2ccccc2)CC1)[NH+](C)C ZINC001302804895 1067392753 /nfs/dbraw/zinc/39/27/53/1067392753.db2.gz VLNGYGMYROQHCO-QHCPKHFHSA-N 1 0 469.678 3.498 20 0 JGADRO CC(C)[C@@H]1OCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001302805268 1067393111 /nfs/dbraw/zinc/39/31/11/1067393111.db2.gz HFQPGQPBKYVUDI-DHLKQENFSA-N 1 0 474.694 3.408 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)[NH+](C)C ZINC001302805156 1067393229 /nfs/dbraw/zinc/39/32/29/1067393229.db2.gz XQRBBZMCROEEAD-PMACEKPBSA-N 1 0 473.641 3.247 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C)C(=O)C1)[NH+](C)C ZINC001302807174 1067394603 /nfs/dbraw/zinc/39/46/03/1067394603.db2.gz CNHJKKCQTFRCSH-INIZCTEOSA-N 1 0 481.414 3.101 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC2(CCCCC2)C1)[NH+](C)C ZINC001302807647 1067395347 /nfs/dbraw/zinc/39/53/47/1067395347.db2.gz HNQLDWNPOOIYGW-RTBURBONSA-N 1 0 486.752 3.121 20 0 JGADRO CC(C)C[C@@H](Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1)[NH+](C)C ZINC001302807651 1067395455 /nfs/dbraw/zinc/39/54/55/1067395455.db2.gz HNZLBHKCMMZVJR-QHCPKHFHSA-N 1 0 481.689 3.089 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC001302807973 1067395557 /nfs/dbraw/zinc/39/55/57/1067395557.db2.gz LFSPXPQBFIBWDV-LJQANCHMSA-N 1 0 462.042 3.274 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[C@H]21)[NH+](C)C ZINC001302808206 1067396341 /nfs/dbraw/zinc/39/63/41/1067396341.db2.gz NKWJQADMVLONND-TUNNFDKTSA-N 1 0 474.675 3.160 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001302808849 1067396814 /nfs/dbraw/zinc/39/68/14/1067396814.db2.gz ROVAHCBWQLXKKJ-IRXDYDNUSA-N 1 0 497.507 3.266 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H]1C)[NH+](C)C ZINC001302809127 1067397719 /nfs/dbraw/zinc/39/77/19/1067397719.db2.gz UUFCQDLRVRWSFP-ICSRJNTNSA-N 1 0 462.664 3.160 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1)[NH+](C)C ZINC001302809331 1067398145 /nfs/dbraw/zinc/39/81/45/1067398145.db2.gz VEBUDOGAJGMKOY-UUOWRZLLSA-N 1 0 476.572 3.239 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001302809616 1067398315 /nfs/dbraw/zinc/39/83/15/1067398315.db2.gz XWQKZGOGSRXXEE-SFHVURJKSA-N 1 0 481.016 3.009 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1)[NH+](C)C ZINC001302811183 1067399010 /nfs/dbraw/zinc/39/90/10/1067399010.db2.gz FEAWUNCRFJLCRL-JOCHJYFZSA-N 1 0 481.620 3.361 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001302811627 1067399409 /nfs/dbraw/zinc/39/94/09/1067399409.db2.gz JHBUQWZXLHKVPS-UNMCSNQZSA-N 1 0 476.691 3.029 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001302811888 1067399712 /nfs/dbraw/zinc/39/97/12/1067399712.db2.gz MLRSLUUVOKJABI-KRWDZBQOSA-N 1 0 469.556 3.144 20 0 JGADRO Cc1ccc(Cn2c(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)c(F)c1 ZINC001304363973 1067402342 /nfs/dbraw/zinc/40/23/42/1067402342.db2.gz MJMVJGMYFGSSBT-QFIPXVFZSA-N 1 0 472.653 3.303 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ccccc2)C1)[NH+](C)C ZINC001302815713 1067402936 /nfs/dbraw/zinc/40/29/36/1067402936.db2.gz ABHKJKIYWQGFFQ-HJNYFJLDSA-N 1 0 454.619 3.253 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC001302816487 1067403169 /nfs/dbraw/zinc/40/31/69/1067403169.db2.gz IGCGOMQANGPESG-KNQAVFIVSA-N 1 0 495.672 3.420 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](COc2ccccc2)C1)[NH+](C)C ZINC001302816648 1067403783 /nfs/dbraw/zinc/40/37/83/1067403783.db2.gz ALCIQWXXHDTUBC-ZDXQCDESSA-N 1 0 471.646 3.433 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001302817487 1067404687 /nfs/dbraw/zinc/40/46/87/1067404687.db2.gz DZADUZBEMAVMCP-GGAORHGYSA-N 1 0 458.626 3.220 20 0 JGADRO CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001302817489 1067404695 /nfs/dbraw/zinc/40/46/95/1067404695.db2.gz DZADUZBEMAVMCP-GMAHTHKFSA-N 1 0 458.626 3.220 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001302817444 1067404721 /nfs/dbraw/zinc/40/47/21/1067404721.db2.gz DJHAMOAWSAMPKY-NFBKMPQASA-N 1 0 486.636 3.296 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001302817445 1067404733 /nfs/dbraw/zinc/40/47/33/1067404733.db2.gz DJHAMOAWSAMPKY-NZQKXSOJSA-N 1 0 486.636 3.296 20 0 JGADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@@H](C)[NH+](C)C)CC2)cc1F ZINC001304366012 1067405203 /nfs/dbraw/zinc/40/52/03/1067405203.db2.gz BYVUMFBOWMVZCJ-DENIHFKCSA-N 1 0 486.636 3.103 20 0 JGADRO Cc1ccc(CSCCn2c(CC(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001304366321 1067405752 /nfs/dbraw/zinc/40/57/52/1067405752.db2.gz WXNODMCOKIGFSI-HSZRJFAPSA-N 1 0 484.714 3.461 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+](C)C ZINC001302818060 1067405768 /nfs/dbraw/zinc/40/57/68/1067405768.db2.gz MBMHDFONDSBMOJ-GBESFXJTSA-N 1 0 483.686 3.499 20 0 JGADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCSC1)[NH+](C)C ZINC001302818073 1067405833 /nfs/dbraw/zinc/40/58/33/1067405833.db2.gz MELPUQJZRLXYNF-QZTJIDSGSA-N 1 0 469.659 3.110 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001302818227 1067406103 /nfs/dbraw/zinc/40/61/03/1067406103.db2.gz HYVWNFFHPRIAQK-KRWDZBQOSA-N 1 0 464.605 3.474 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001302819106 1067406569 /nfs/dbraw/zinc/40/65/69/1067406569.db2.gz OVFOEQHQIBCFQG-YJBOKZPZSA-N 1 0 493.534 3.338 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001302818688 1067406639 /nfs/dbraw/zinc/40/66/39/1067406639.db2.gz JQGQRRITRZFTAC-QZNHQXDQSA-N 1 0 491.677 3.365 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+](C)C ZINC001302819783 1067407388 /nfs/dbraw/zinc/40/73/88/1067407388.db2.gz NPXHPMDDSDGWOH-RBUKOAKNSA-N 1 0 488.599 3.043 20 0 JGADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCc2c(ccnc2N(C)C)C1)[NH+](C)C ZINC001302820339 1067407399 /nfs/dbraw/zinc/40/73/99/1067407399.db2.gz OPRXBNRARSJMCG-QFIPXVFZSA-N 1 0 462.646 3.264 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001302820398 1067407820 /nfs/dbraw/zinc/40/78/20/1067407820.db2.gz PMCRZADVEXUBPL-FYYLOGMGSA-N 1 0 450.635 3.043 20 0 JGADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001302820371 1067407841 /nfs/dbraw/zinc/40/78/41/1067407841.db2.gz PDEDJWTTXHCEOA-SJHHWCTQSA-N 1 0 456.635 3.013 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCc2ccccc2)C1)[NH+](C)C ZINC001302820553 1067408410 /nfs/dbraw/zinc/40/84/10/1067408410.db2.gz UPYHYJBHSYROJE-VSKRKVRLSA-N 1 0 454.619 3.001 20 0 JGADRO CC(C)C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C)CC1)[NH+](C)C ZINC001302821343 1067409704 /nfs/dbraw/zinc/40/97/04/1067409704.db2.gz WYBJYLKUFHFMRU-IBGZPJMESA-N 1 0 461.680 3.451 20 0 JGADRO CC(C)C[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001302821340 1067409759 /nfs/dbraw/zinc/40/97/59/1067409759.db2.gz WUMGOUJMZVIRDQ-GGAORHGYSA-N 1 0 473.710 3.045 20 0 JGADRO CC(C)C[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001302821341 1067409764 /nfs/dbraw/zinc/40/97/64/1067409764.db2.gz WUMGOUJMZVIRDQ-GMAHTHKFSA-N 1 0 473.710 3.045 20 0 JGADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001302821681 1067410526 /nfs/dbraw/zinc/41/05/26/1067410526.db2.gz YIIZLBJJIHYWLI-DOIPELPJSA-N 1 0 478.682 3.498 20 0 JGADRO CC(C)C[C@H](Cn1c(N2CCC[C@H]2c2cnn(C)c2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001302822030 1067410973 /nfs/dbraw/zinc/41/09/73/1067410973.db2.gz LBFBGNINFGGUSK-OTNCWRBYSA-N 1 0 473.666 3.370 20 0 JGADRO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2=O)cc1 ZINC001304373619 1067411660 /nfs/dbraw/zinc/41/16/60/1067411660.db2.gz XTBGVROQMFFOLW-NRFANRHFSA-N 1 0 468.646 3.238 20 0 JGADRO CC(C)C[C@H](Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001302823828 1067412518 /nfs/dbraw/zinc/41/25/18/1067412518.db2.gz VMGWMLQBJGKVFN-DNQXCXABSA-N 1 0 465.646 3.351 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1)[NH+](C)C ZINC001302823503 1067412561 /nfs/dbraw/zinc/41/25/61/1067412561.db2.gz SWHYCYJELJATLA-DENIHFKCSA-N 1 0 490.599 3.233 20 0 JGADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1)[NH+](C)C ZINC001302824367 1067413401 /nfs/dbraw/zinc/41/34/01/1067413401.db2.gz ZVILQVRGNAICKU-FDFHNCONSA-N 1 0 460.667 3.020 20 0 JGADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)[NH+](C)C ZINC001302824650 1067413847 /nfs/dbraw/zinc/41/38/47/1067413847.db2.gz PSSWHRRIYZNBAY-FGZHOGPDSA-N 1 0 472.609 3.094 20 0 JGADRO CSCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001302825129 1067414711 /nfs/dbraw/zinc/41/47/11/1067414711.db2.gz DJOOJLAWSMCMED-UHFFFAOYSA-N 1 0 459.689 3.319 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001302828224 1067418145 /nfs/dbraw/zinc/41/81/45/1067418145.db2.gz HDWWSAADTCVCNQ-RBUKOAKNSA-N 1 0 462.664 3.046 20 0 JGADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001302829211 1067418640 /nfs/dbraw/zinc/41/86/40/1067418640.db2.gz MUVKYNOYSQZVQC-AYLZSAKASA-N 1 0 461.676 3.258 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1C ZINC001304376882 1067419367 /nfs/dbraw/zinc/41/93/67/1067419367.db2.gz BXYVFJVHLLBMLN-HXUWFJFHSA-N 1 0 495.672 3.325 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCCC[NH+]2CCC(C)CC2)cc1C ZINC001304377797 1067420835 /nfs/dbraw/zinc/42/08/35/1067420835.db2.gz MYXUESUSIBCHBW-HHHXNRCGSA-N 1 0 495.672 3.361 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)(N4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001304378103 1067421723 /nfs/dbraw/zinc/42/17/23/1067421723.db2.gz OTQJAPOZHAHKHX-HHHXNRCGSA-N 1 0 497.688 3.036 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2COCCO2)cc1C ZINC001304378846 1067423281 /nfs/dbraw/zinc/42/32/81/1067423281.db2.gz GNFGRYYQSAXTOU-HSZRJFAPSA-N 1 0 484.645 3.119 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC001304378834 1067423320 /nfs/dbraw/zinc/42/33/20/1067423320.db2.gz SXPWZCDXHMKYOX-WFXMLNOXSA-N 1 0 495.672 3.215 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1C ZINC001304379372 1067423865 /nfs/dbraw/zinc/42/38/65/1067423865.db2.gz WUIIDYNQLWSUCQ-DFBJGRDBSA-N 1 0 495.653 3.213 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304379844 1067425767 /nfs/dbraw/zinc/42/57/67/1067425767.db2.gz VENOLGBKOHFMMR-LEWJYISDSA-N 1 0 497.688 3.474 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001304379788 1067425780 /nfs/dbraw/zinc/42/57/80/1067425780.db2.gz UGBWJJGCEQGJHP-UHFFFAOYSA-N 1 0 471.650 3.086 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1C ZINC001304379936 1067426347 /nfs/dbraw/zinc/42/63/47/1067426347.db2.gz LZIZAYPCSLQQLW-NRFANRHFSA-N 1 0 481.645 3.029 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCCc4c3cnn4C)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304380136 1067426854 /nfs/dbraw/zinc/42/68/54/1067426854.db2.gz WPOGXEFUIBLYDS-RXVVDRJESA-N 1 0 464.618 3.345 20 0 JGADRO CC(C)Cc1nnc(N(C)Cc2cc(F)cc(F)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302841676 1067428461 /nfs/dbraw/zinc/42/84/61/1067428461.db2.gz LNZJYSXGUZGGQF-OAQYLSRUSA-N 1 0 462.589 3.334 20 0 JGADRO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1O ZINC001302843069 1067429282 /nfs/dbraw/zinc/42/92/82/1067429282.db2.gz YGSVKYFRCATDKH-CGXNFDGLSA-N 1 0 490.693 3.378 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001304383262 1067432427 /nfs/dbraw/zinc/43/24/27/1067432427.db2.gz JYOOYYALWCHGPF-SIKLNZKXSA-N 1 0 495.672 3.326 20 0 JGADRO CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4OC)C3)CC2)CC1 ZINC001304383546 1067432880 /nfs/dbraw/zinc/43/28/80/1067432880.db2.gz ZYFOGZBLDCXWLD-NRFANRHFSA-N 1 0 456.631 3.069 20 0 JGADRO Cc1nn(C)c(C)c1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001304383842 1067433456 /nfs/dbraw/zinc/43/34/56/1067433456.db2.gz NKCSATYPSBMMMR-UHFFFAOYSA-N 1 0 478.645 3.466 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCCC3(C)C)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001304384319 1067434851 /nfs/dbraw/zinc/43/48/51/1067434851.db2.gz SRNLWNDMHJYVKZ-UHFFFAOYSA-N 1 0 454.619 3.373 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1C ZINC001304384469 1067435267 /nfs/dbraw/zinc/43/52/67/1067435267.db2.gz QBJOHOREJFINQT-NZQKXSOJSA-N 1 0 495.672 3.325 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCNC(=O)C(C)C)cc1C ZINC001304384817 1067436111 /nfs/dbraw/zinc/43/61/11/1067436111.db2.gz UDGUYKXDQHSGFS-UHFFFAOYSA-N 1 0 495.672 3.374 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](OCC4CC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304384935 1067436562 /nfs/dbraw/zinc/43/65/62/1067436562.db2.gz VWMLDPCGWPUMNV-DENIHFKCSA-N 1 0 454.619 3.493 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304385070 1067437094 /nfs/dbraw/zinc/43/70/94/1067437094.db2.gz XELSHSYMUFNDAH-FPOVZHCZSA-N 1 0 483.661 3.228 20 0 JGADRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001302853754 1067438222 /nfs/dbraw/zinc/43/82/22/1067438222.db2.gz ZDSIEBVLMPRQKA-FUPPJEDESA-N 1 0 450.501 3.311 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2CCCCC[NH+]2CCCCC2)cc1C ZINC001304386098 1067439107 /nfs/dbraw/zinc/43/91/07/1067439107.db2.gz FWSJQAJSTKEGCF-UHFFFAOYSA-N 1 0 486.686 3.372 20 0 JGADRO CC(C)Cc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001302856766 1067440072 /nfs/dbraw/zinc/44/00/72/1067440072.db2.gz AAQJKRDIHQJTMT-HXUWFJFHSA-N 1 0 466.630 3.329 20 0 JGADRO CC(C)Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001302857492 1067440478 /nfs/dbraw/zinc/44/04/78/1067440478.db2.gz UWHWAMIRSYRVBY-UHFFFAOYSA-N 1 0 498.716 3.029 20 0 JGADRO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(CC(C)C)CC3CC[NH+](C)CC3)cc(C(C)C)nc21 ZINC001302857620 1067440516 /nfs/dbraw/zinc/44/05/16/1067440516.db2.gz MGDQGRIWYHBMNA-UHFFFAOYSA-N 1 0 457.619 3.471 20 0 JGADRO C[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)O)C[C@H]1C(F)(F)F ZINC001302860179 1067442466 /nfs/dbraw/zinc/44/24/66/1067442466.db2.gz KDOSOXPIXSEJMV-UYAOXDASSA-N 1 0 480.579 3.048 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001304387565 1067443558 /nfs/dbraw/zinc/44/35/58/1067443558.db2.gz CXVNBPSNAPJGNQ-HXUWFJFHSA-N 1 0 454.619 3.287 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304387690 1067444109 /nfs/dbraw/zinc/44/41/09/1067444109.db2.gz FSSGIIYGRASIQO-BGYRXZFFSA-N 1 0 465.602 3.156 20 0 JGADRO Cc1ccc(NC(=O)c2nnc(N3CCSCC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001304387847 1067444559 /nfs/dbraw/zinc/44/45/59/1067444559.db2.gz ZZXDCXFQMDLRRM-NRFANRHFSA-N 1 0 472.659 3.057 20 0 JGADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001302862153 1067444678 /nfs/dbraw/zinc/44/46/78/1067444678.db2.gz CLPQAVNCYZHRII-HUUCEWRRSA-N 1 0 456.538 3.000 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001304388256 1067445537 /nfs/dbraw/zinc/44/55/37/1067445537.db2.gz ASVATIRDQRORGT-GGAORHGYSA-N 1 0 484.645 3.404 20 0 JGADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1F ZINC001302863117 1067445622 /nfs/dbraw/zinc/44/56/22/1067445622.db2.gz VZADKUBCFLJEGA-PSGMQZRDSA-N 1 0 458.365 3.025 20 0 JGADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001304388404 1067446007 /nfs/dbraw/zinc/44/60/07/1067446007.db2.gz CUESSPJRIZIJMT-LEWJYISDSA-N 1 0 454.619 3.287 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC(=O)N(C)C1CCCCC1 ZINC001302865698 1067446672 /nfs/dbraw/zinc/44/66/72/1067446672.db2.gz DMSPUQNYYBPOFH-LJQANCHMSA-N 1 0 460.667 3.056 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)O ZINC001302865651 1067446683 /nfs/dbraw/zinc/44/66/83/1067446683.db2.gz BAXLKILHUBSRSQ-MRXNPFEDSA-N 1 0 465.545 3.007 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2cccnc2)n1CCC(=O)NC(C)(C)C ZINC001302866124 1067447191 /nfs/dbraw/zinc/44/71/91/1067447191.db2.gz KBSDMAGWXZUFPS-OAQYLSRUSA-N 1 0 475.641 3.279 20 0 JGADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(Cc2c(F)cccc2F)n1CC(F)(F)F ZINC001302866382 1067447229 /nfs/dbraw/zinc/44/72/29/1067447229.db2.gz MWSMIYOWIQGYJM-CQSZACIVSA-N 1 0 459.463 3.399 20 0 JGADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCCO2)n1CCSCCCO ZINC001302866090 1067447309 /nfs/dbraw/zinc/44/73/09/1067447309.db2.gz IMWPIZMUDYPRTE-IFMALSPDSA-N 1 0 459.660 3.346 20 0 JGADRO Cc1ccc(NC(=O)C2CCN(c3nnc(Cc4ccsc4)n3C[C@@H](C)[NH+](C)C)CC2)nc1 ZINC001304388861 1067447559 /nfs/dbraw/zinc/44/75/59/1067447559.db2.gz HDFOOQUBLYKXTN-GOSISDBHSA-N 1 0 467.643 3.439 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001302868757 1067449398 /nfs/dbraw/zinc/44/93/98/1067449398.db2.gz BVYIEOWQNROLBM-HXUWFJFHSA-N 1 0 484.645 3.407 20 0 JGADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001302870902 1067451328 /nfs/dbraw/zinc/45/13/28/1067451328.db2.gz BBQPELHAAQHRNM-GOSISDBHSA-N 1 0 464.655 3.081 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001302872063 1067454594 /nfs/dbraw/zinc/45/45/94/1067454594.db2.gz JBRHWOUNUNUMSD-QFIPXVFZSA-N 1 0 474.694 3.064 20 0 JGADRO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001304398011 1067460128 /nfs/dbraw/zinc/46/01/28/1067460128.db2.gz PHUNSPYZHGDIGG-XMMPIXPASA-N 1 0 481.645 3.201 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001302882488 1067463928 /nfs/dbraw/zinc/46/39/28/1067463928.db2.gz IYVDOZPSROGLJT-YYDVJCTNSA-N 1 0 489.686 3.473 20 0 JGADRO CC(C)Cc1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001302886038 1067466667 /nfs/dbraw/zinc/46/66/67/1067466667.db2.gz FTGQGJXXCYQTKZ-XMMPIXPASA-N 1 0 495.672 3.132 20 0 JGADRO CC(C)Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302888501 1067468361 /nfs/dbraw/zinc/46/83/61/1067468361.db2.gz BHNJEKLIYUWKDA-BJKOFHAPSA-N 1 0 466.674 3.488 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304405796 1067469238 /nfs/dbraw/zinc/46/92/38/1067469238.db2.gz MWOYBLNWXVKBHF-VXKWHMMOSA-N 1 0 471.646 3.324 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001304406025 1067469574 /nfs/dbraw/zinc/46/95/74/1067469574.db2.gz OKVYHDNHHGXLNG-RTWAWAEBSA-N 1 0 456.635 3.117 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001304406518 1067470211 /nfs/dbraw/zinc/47/02/11/1067470211.db2.gz IQSOKQQQOSMBPP-OAQYLSRUSA-N 1 0 457.619 3.282 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001302890636 1067470218 /nfs/dbraw/zinc/47/02/18/1067470218.db2.gz VPCZWUNOVXMAOW-AREMUKBSSA-N 1 0 452.647 3.303 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001304406881 1067471047 /nfs/dbraw/zinc/47/10/47/1067471047.db2.gz VXBUKRDAMRDRCB-NRFANRHFSA-N 1 0 456.635 3.260 20 0 JGADRO 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CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302892761 1067473435 /nfs/dbraw/zinc/47/34/35/1067473435.db2.gz MHGGUCBCIZWFBX-JOCHJYFZSA-N 1 0 465.708 3.394 20 0 JGADRO CC(C)Cc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302892728 1067473475 /nfs/dbraw/zinc/47/34/75/1067473475.db2.gz LJYKFTOLQQWSNX-NRFANRHFSA-N 1 0 451.681 3.004 20 0 JGADRO Cc1ccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001304408730 1067473844 /nfs/dbraw/zinc/47/38/44/1067473844.db2.gz WPJPPDBTFFFKRF-BHIFYINESA-N 1 0 457.619 3.016 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CC(=O)NCC(F)F)cc1C ZINC001304410442 1067476607 /nfs/dbraw/zinc/47/66/07/1067476607.db2.gz FEOLRROVOOQUDN-UHFFFAOYSA-N 1 0 490.599 3.310 20 0 JGADRO CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001302896696 1067477807 /nfs/dbraw/zinc/47/78/07/1067477807.db2.gz NALBOLZPOGKDFM-OAQYLSRUSA-N 1 0 467.662 3.381 20 0 JGADRO CC(C)Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001302896706 1067477849 /nfs/dbraw/zinc/47/78/49/1067477849.db2.gz NGMGILJNTQWUMH-UHFFFAOYSA-N 1 0 489.686 3.414 20 0 JGADRO C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCC[N@H+](C)C2CCCCC2)CCN1S(C)(=O)=O ZINC001302897811 1067478617 /nfs/dbraw/zinc/47/86/17/1067478617.db2.gz WATGEZVKZOSYKF-IBGZPJMESA-N 1 0 494.731 3.055 20 0 JGADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302898291 1067479573 /nfs/dbraw/zinc/47/95/73/1067479573.db2.gz AITRWDVXKWHNIK-HDICACEKSA-N 1 0 460.648 3.148 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCS(=O)(=O)C(C)(C)C)cc1 ZINC001304412569 1067481436 /nfs/dbraw/zinc/48/14/36/1067481436.db2.gz MAWBVCHMLUHVIY-NRFANRHFSA-N 1 0 489.686 3.443 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCOC(C)C)cc1 ZINC001304414480 1067484198 /nfs/dbraw/zinc/48/41/98/1067484198.db2.gz DBNDZPAOLSEPDZ-JOCHJYFZSA-N 1 0 457.619 3.139 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001304414324 1067484220 /nfs/dbraw/zinc/48/42/20/1067484220.db2.gz YJPQMNWCEPMIDH-FQEVSTJZSA-N 1 0 454.619 3.132 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001304414674 1067484729 /nfs/dbraw/zinc/48/47/29/1067484729.db2.gz ILMRMMKLTAVYPR-YIXXDRMTSA-N 1 0 485.673 3.430 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2C[C@](C)(O)C(C)C)cc1C ZINC001304414672 1067484740 /nfs/dbraw/zinc/48/47/40/1067484740.db2.gz ILMRMMKLTAVYPR-KCWPFWIISA-N 1 0 485.673 3.430 20 0 JGADRO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CC(F)(F)CO3)CC2)C[C@H](C)O1 ZINC001302901817 1067486034 /nfs/dbraw/zinc/48/60/34/1067486034.db2.gz QGPMTXYVHNYFSD-ZIFCJYIRSA-N 1 0 455.594 3.325 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001304415861 1067487257 /nfs/dbraw/zinc/48/72/57/1067487257.db2.gz KINMOYKRAPZGOD-FCHUYYIVSA-N 1 0 468.646 3.391 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001304415863 1067487298 /nfs/dbraw/zinc/48/72/98/1067487298.db2.gz KINMOYKRAPZGOD-VXKWHMMOSA-N 1 0 468.646 3.391 20 0 JGADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C2CCC2)n1CCCN(C)CC(F)(F)F ZINC001302902408 1067487491 /nfs/dbraw/zinc/48/74/91/1067487491.db2.gz HWAVESCECSRGEL-KRWDZBQOSA-N 1 0 458.573 3.119 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001304416349 1067488205 /nfs/dbraw/zinc/48/82/05/1067488205.db2.gz YHPYNTNPOXWBDL-UHFFFAOYSA-N 1 0 468.646 3.345 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001304417237 1067489621 /nfs/dbraw/zinc/48/96/21/1067489621.db2.gz XBPNHFSVASFZLP-UHFFFAOYSA-N 1 0 468.646 3.263 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccnc3)n2CC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001302905232 1067489693 /nfs/dbraw/zinc/48/96/93/1067489693.db2.gz HZYZVDSLGQLVOB-SZPZYZBQSA-N 1 0 463.630 3.018 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCC(=O)NC(C)C)cc1 ZINC001304417858 1067490803 /nfs/dbraw/zinc/49/08/03/1067490803.db2.gz FQZYMZGXIQTINJ-NRFANRHFSA-N 1 0 468.646 3.391 20 0 JGADRO C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905725 1067490948 /nfs/dbraw/zinc/49/09/48/1067490948.db2.gz VQWSOTABCXBGLM-DVKRWUGUSA-N 1 0 470.662 3.020 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2([S@](C)=O)CCC2)cc1 ZINC001304418687 1067492628 /nfs/dbraw/zinc/49/26/28/1067492628.db2.gz JUNFYMOPBPISOC-YTTGMZPUSA-N 1 0 459.660 3.245 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCC(C)(C)O)cc1C ZINC001304418609 1067492673 /nfs/dbraw/zinc/49/26/73/1067492673.db2.gz TVRDNXOQWRKIER-NRFANRHFSA-N 1 0 471.646 3.324 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001304418679 1067492691 /nfs/dbraw/zinc/49/26/91/1067492691.db2.gz JRYPDOGBIBZCNX-NRFANRHFSA-N 1 0 492.615 3.054 20 0 JGADRO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CCCCCO)cc1 ZINC001304419118 1067493660 /nfs/dbraw/zinc/49/36/60/1067493660.db2.gz XQDHJCCYIYDWBT-OAQYLSRUSA-N 1 0 457.619 3.018 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)N1CCOCC1 ZINC001302911531 1067497058 /nfs/dbraw/zinc/49/70/58/1067497058.db2.gz YLFDFWOWFYVXRG-INIZCTEOSA-N 1 0 495.466 3.161 20 0 JGADRO O=C(N[C@@H](C(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccccc1)OCc1ccccc1 ZINC001302912540 1067497623 /nfs/dbraw/zinc/49/76/23/1067497623.db2.gz ASLWOPGJUKNIJP-XMMPIXPASA-N 1 0 451.567 3.414 20 0 JGADRO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302912916 1067498087 /nfs/dbraw/zinc/49/80/87/1067498087.db2.gz BNPUCRAHCPCUOW-IBGZPJMESA-N 1 0 474.625 3.026 20 0 JGADRO Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001304423370 1067500373 /nfs/dbraw/zinc/50/03/73/1067500373.db2.gz SYFXXLHRXMNMMB-UHFFFAOYSA-N 1 0 454.619 3.258 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[NH+]2CCCCC2)cc1 ZINC001304424211 1067501084 /nfs/dbraw/zinc/50/10/84/1067501084.db2.gz DNQNRQHAAQOJJR-IBGZPJMESA-N 1 0 453.509 3.419 20 0 JGADRO Cc1ccc(OCc2nnc(N3CCN4C(=O)N(C)C[C@@H]4C3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001304424201 1067501159 /nfs/dbraw/zinc/50/11/59/1067501159.db2.gz DFHCZCTVNBWJSH-JOCHJYFZSA-N 1 0 483.661 3.230 20 0 JGADRO FC(F)(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001302922143 1067502101 /nfs/dbraw/zinc/50/21/01/1067502101.db2.gz GFCHOXHRKYJLMN-KRWDZBQOSA-N 1 0 470.362 3.482 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001302923583 1067503498 /nfs/dbraw/zinc/50/34/98/1067503498.db2.gz SGRBGWCUFLGIKZ-JOCHJYFZSA-N 1 0 459.660 3.134 20 0 JGADRO FC(F)(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001302925994 1067505033 /nfs/dbraw/zinc/50/50/33/1067505033.db2.gz WLCWLBGRLXVZIM-QGZVFWFLSA-N 1 0 492.409 3.446 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302928737 1067505750 /nfs/dbraw/zinc/50/57/50/1067505750.db2.gz GBSGGFODSFPREP-GIWBLDEGSA-N 1 0 494.750 3.428 20 0 JGADRO Cc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001304428613 1067506361 /nfs/dbraw/zinc/50/63/61/1067506361.db2.gz KXEYBTNPJSEJLD-UHFFFAOYSA-N 1 0 450.587 3.011 20 0 JGADRO CC(C)Cc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302928794 1067506448 /nfs/dbraw/zinc/50/64/48/1067506448.db2.gz HHYLAWICIGWDPV-HXUWFJFHSA-N 1 0 474.625 3.294 20 0 JGADRO CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001302932009 1067507494 /nfs/dbraw/zinc/50/74/94/1067507494.db2.gz ROZHJANNWDCHRN-ZRCGQRJVSA-N 1 0 453.697 3.391 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001302932510 1067508261 /nfs/dbraw/zinc/50/82/61/1067508261.db2.gz BGLCSSKFERNVHH-OAQYLSRUSA-N 1 0 488.702 3.392 20 0 JGADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001302933636 1067508474 /nfs/dbraw/zinc/50/84/74/1067508474.db2.gz OBTPEZSJVSDDDF-JOCHJYFZSA-N 1 0 488.702 3.247 20 0 JGADRO FC(F)(F)CC1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCOCC2)CC1 ZINC001302933830 1067508549 /nfs/dbraw/zinc/50/85/49/1067508549.db2.gz RJIHNKAYPFSVQO-UHFFFAOYSA-N 1 0 452.525 3.155 20 0 JGADRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCCC(=O)NC1CC1 ZINC001302936332 1067509627 /nfs/dbraw/zinc/50/96/27/1067509627.db2.gz CGHIWCQZWPEFHI-UHFFFAOYSA-N 1 0 456.610 3.387 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001302938211 1067511632 /nfs/dbraw/zinc/51/16/32/1067511632.db2.gz GXOTWNAGVPYNND-UHFFFAOYSA-N 1 0 488.721 3.454 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001302939561 1067513532 /nfs/dbraw/zinc/51/35/32/1067513532.db2.gz FOPYFVXUKAFMET-HSZRJFAPSA-N 1 0 461.614 3.137 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001304436582 1067514953 /nfs/dbraw/zinc/51/49/53/1067514953.db2.gz FPLOECVRFNIIHA-VQTJNVASSA-N 1 0 456.660 3.278 20 0 JGADRO FC(F)(F)COCCC[NH+]1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCO2)CC1 ZINC001302941388 1067515443 /nfs/dbraw/zinc/51/54/43/1067515443.db2.gz KUXATFKZHSUCRQ-LJQANCHMSA-N 1 0 459.557 3.281 20 0 JGADRO FC(F)(F)OCCCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001302942674 1067516069 /nfs/dbraw/zinc/51/60/69/1067516069.db2.gz DRSBMDBOWZYLNC-IBGZPJMESA-N 1 0 453.509 3.073 20 0 JGADRO Cc1ccc(SCc2nnc(Nc3ccn(C)n3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001304437524 1067516614 /nfs/dbraw/zinc/51/66/14/1067516614.db2.gz CQSMINJSYQSATA-HXUWFJFHSA-N 1 0 482.658 3.299 20 0 JGADRO Cc1ccc(SCc2nnc(Nc3ccn(C)n3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001304437523 1067516650 /nfs/dbraw/zinc/51/66/50/1067516650.db2.gz CQSMINJSYQSATA-FQEVSTJZSA-N 1 0 482.658 3.299 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001302945553 1067518770 /nfs/dbraw/zinc/51/87/70/1067518770.db2.gz HZWNDKYBYLIKOB-VWLOTQADSA-N 1 0 481.689 3.090 20 0 JGADRO FC(F)C(F)(F)CN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001302945943 1067519039 /nfs/dbraw/zinc/51/90/39/1067519039.db2.gz XCYUGBWNHAGUGR-GOSISDBHSA-N 1 0 476.563 3.071 20 0 JGADRO CC(C)Cc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001302946641 1067519860 /nfs/dbraw/zinc/51/98/60/1067519860.db2.gz QAUMKYYLTNPPPM-DHLKQENFSA-N 1 0 481.689 3.090 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001304439666 1067520085 /nfs/dbraw/zinc/52/00/85/1067520085.db2.gz VSFVNRWNFWGSAU-RBUKOAKNSA-N 1 0 456.660 3.324 20 0 JGADRO Cc1nc([C@H]2CN(c3nnc(CSc4ccc(C)cc4)n3C[C@@H](C)[NH+](C)C)CCO2)no1 ZINC001304440497 1067521232 /nfs/dbraw/zinc/52/12/32/1067521232.db2.gz JYLZRUFBOGLSSQ-VQIMIIECSA-N 1 0 457.604 3.098 20 0 JGADRO Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001304441075 1067521904 /nfs/dbraw/zinc/52/19/04/1067521904.db2.gz QPEGVQNZTDYAMB-SFTDATJTSA-N 1 0 491.727 3.482 20 0 JGADRO Cc1cccc(C(=O)N2CCCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001304442661 1067524121 /nfs/dbraw/zinc/52/41/21/1067524121.db2.gz FYRMHVCIGVNIOO-HSZRJFAPSA-N 1 0 482.673 3.421 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](C3Cc4ccccc4C3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001302953648 1067525320 /nfs/dbraw/zinc/52/53/20/1067525320.db2.gz AGQCAPCRCYWKJF-YTTGMZPUSA-N 1 0 457.688 3.313 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001304443420 1067525381 /nfs/dbraw/zinc/52/53/81/1067525381.db2.gz RCJXNLCALATVOQ-OXQOHEQNSA-N 1 0 474.656 3.255 20 0 JGADRO Cc1ccc2c(c1)CCN2c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001304443419 1067525410 /nfs/dbraw/zinc/52/54/10/1067525410.db2.gz RCJXNLCALATVOQ-OXJNMPFZSA-N 1 0 474.656 3.255 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001302953964 1067525574 /nfs/dbraw/zinc/52/55/74/1067525574.db2.gz BBMBVYPAGNDIBT-HXUWFJFHSA-N 1 0 458.626 3.178 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001302954590 1067526548 /nfs/dbraw/zinc/52/65/48/1067526548.db2.gz GNSNHQWUVOKTCB-LEWJYISDSA-N 1 0 458.626 3.299 20 0 JGADRO Cc1cccc(C)c1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001304445226 1067526706 /nfs/dbraw/zinc/52/67/06/1067526706.db2.gz SSZWMZFYXNZBCH-UHFFFAOYSA-N 1 0 466.674 3.471 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3cnn(C)c3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001302954992 1067526750 /nfs/dbraw/zinc/52/67/50/1067526750.db2.gz KJJVCCSXTSABKZ-NHCUHLMSSA-N 1 0 456.683 3.293 20 0 JGADRO FC(F)n1ccnc1Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001302954833 1067526902 /nfs/dbraw/zinc/52/69/02/1067526902.db2.gz OLNFDZBYGZZTFS-UHFFFAOYSA-N 1 0 488.465 3.004 20 0 JGADRO Cc1cccc(C)c1NC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001304446032 1067527182 /nfs/dbraw/zinc/52/71/82/1067527182.db2.gz GPASVRNJQPERQG-JOCHJYFZSA-N 1 0 468.646 3.281 20 0 JGADRO FC(F)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302956198 1067528134 /nfs/dbraw/zinc/52/81/34/1067528134.db2.gz DYBNCDMRBLDIND-INIZCTEOSA-N 1 0 455.937 3.386 20 0 JGADRO CC(C)Cc1nnc(N2CCN(c3ccccn3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001302956408 1067528367 /nfs/dbraw/zinc/52/83/67/1067528367.db2.gz SKYSZBMFEODADZ-SFTDATJTSA-N 1 0 455.651 3.086 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCCNC(=O)OC(C)(C)C ZINC001302957301 1067528954 /nfs/dbraw/zinc/52/89/54/1067528954.db2.gz NNJVPZXENZHVHE-LJQANCHMSA-N 1 0 464.655 3.081 20 0 JGADRO Cc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001304447645 1067528997 /nfs/dbraw/zinc/52/89/97/1067528997.db2.gz HDZHARGWDJUBEB-NRFANRHFSA-N 1 0 481.670 3.328 20 0 JGADRO FC(F)OCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302958077 1067529378 /nfs/dbraw/zinc/52/93/78/1067529378.db2.gz ZYRQUXOFPCSQLS-GOSISDBHSA-N 1 0 455.575 3.108 20 0 JGADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCS(=O)(=O)c1ccccc1 ZINC001302957903 1067529405 /nfs/dbraw/zinc/52/94/05/1067529405.db2.gz XLBFCNVFTASQGF-HXUWFJFHSA-N 1 0 459.660 3.261 20 0 JGADRO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCCC2)CC1 ZINC001304448656 1067530379 /nfs/dbraw/zinc/53/03/79/1067530379.db2.gz ULHRXULFWQMHPL-UHFFFAOYSA-N 1 0 481.689 3.439 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302959425 1067530987 /nfs/dbraw/zinc/53/09/87/1067530987.db2.gz UOLVSIUVBKLEBG-HSZRJFAPSA-N 1 0 487.737 3.168 20 0 JGADRO Cc1cccc(C)c1OCCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001304449373 1067530990 /nfs/dbraw/zinc/53/09/90/1067530990.db2.gz NOOXTTOEMWMEOV-UHFFFAOYSA-N 1 0 468.646 3.407 20 0 JGADRO Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC001304450368 1067531813 /nfs/dbraw/zinc/53/18/13/1067531813.db2.gz AHOKYRIKDZDRJK-PZJWPPBQSA-N 1 0 482.654 3.401 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001302960616 1067531832 /nfs/dbraw/zinc/53/18/32/1067531832.db2.gz AMIRBZGOZUVLNV-UHFFFAOYSA-N 1 0 465.568 3.473 20 0 JGADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2CCCC[NH+]2CCOCC2)n1 ZINC001304453468 1067534787 /nfs/dbraw/zinc/53/47/87/1067534787.db2.gz QGILHDLNPKMBOV-UHFFFAOYSA-N 1 0 499.566 3.114 20 0 JGADRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001304454464 1067535827 /nfs/dbraw/zinc/53/58/27/1067535827.db2.gz KNCBQZBBBCDTAR-HXUWFJFHSA-N 1 0 455.632 3.407 20 0 JGADRO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001302965726 1067535903 /nfs/dbraw/zinc/53/59/03/1067535903.db2.gz ULTDBTYIBUCBHA-QFIPXVFZSA-N 1 0 476.616 3.034 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001302966185 1067536249 /nfs/dbraw/zinc/53/62/49/1067536249.db2.gz OFIDFIOKQMORNC-NOZRDPDXSA-N 1 0 468.690 3.403 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001302966189 1067536296 /nfs/dbraw/zinc/53/62/96/1067536296.db2.gz OFIDFIOKQMORNC-ZCYQVOJMSA-N 1 0 468.690 3.403 20 0 JGADRO CC(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001302966232 1067536335 /nfs/dbraw/zinc/53/63/35/1067536335.db2.gz ZMNGKTFTJRJWLN-UHFFFAOYSA-N 1 0 455.647 3.301 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@](C)(O)c1ccccc1 ZINC001302965976 1067536396 /nfs/dbraw/zinc/53/63/96/1067536396.db2.gz MGRSTFXLUFCIST-OBTVHEKISA-N 1 0 468.690 3.379 20 0 JGADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304456559 1067537148 /nfs/dbraw/zinc/53/71/48/1067537148.db2.gz PVQSHVJPGYUHFB-LJQANCHMSA-N 1 0 482.654 3.420 20 0 JGADRO CC(C)Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC(=O)N1CCCCCC1 ZINC001302966948 1067537257 /nfs/dbraw/zinc/53/72/57/1067537257.db2.gz ZTYKXMHQTMCDEY-PSWAGMNNSA-N 1 0 487.737 3.264 20 0 JGADRO Fc1ccc(OCc2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCCOC(F)(F)F)cc1 ZINC001302970732 1067538967 /nfs/dbraw/zinc/53/89/67/1067538967.db2.gz XBVXJDSRMUVLAF-KRWDZBQOSA-N 1 0 487.498 3.081 20 0 JGADRO CC(C)Cc1nnc(N2CCO[C@@H](COC(C)C)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001302974291 1067540929 /nfs/dbraw/zinc/54/09/29/1067540929.db2.gz DUWXLOFJZOITCR-HSZRJFAPSA-N 1 0 455.647 3.206 20 0 JGADRO Fc1ccccc1OCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CC=CCC1 ZINC001302976742 1067542661 /nfs/dbraw/zinc/54/26/61/1067542661.db2.gz FMSUFTRONYBUAL-GOSISDBHSA-N 1 0 455.456 3.026 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CC[NH+]2CCCC2)n1 ZINC001304464737 1067542891 /nfs/dbraw/zinc/54/28/91/1067542891.db2.gz IORCBQQFIIWEGU-OAQYLSRUSA-N 1 0 452.525 3.274 20 0 JGADRO Cc1cccc(-c2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001304465091 1067543209 /nfs/dbraw/zinc/54/32/09/1067543209.db2.gz MUBHTEHPZZEIBE-DSKINZAPSA-N 1 0 469.634 3.482 20 0 JGADRO Fc1ccccc1OCc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCOCC(F)F ZINC001302978711 1067544321 /nfs/dbraw/zinc/54/43/21/1067544321.db2.gz RSZFNAKLJFECGZ-QGZVFWFLSA-N 1 0 453.509 3.343 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001304466597 1067545321 /nfs/dbraw/zinc/54/53/21/1067545321.db2.gz ZZJTUFKPAJUNMO-INIZCTEOSA-N 1 0 452.525 3.396 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001304467986 1067546479 /nfs/dbraw/zinc/54/64/79/1067546479.db2.gz MNXFAHCPKYHUAA-RDPSFJRHSA-N 1 0 468.005 3.307 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001304467984 1067546572 /nfs/dbraw/zinc/54/65/72/1067546572.db2.gz MNXFAHCPKYHUAA-HYBUGGRVSA-N 1 0 468.005 3.307 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001304472308 1067550586 /nfs/dbraw/zinc/55/05/86/1067550586.db2.gz MJOBVCRMFYGSEO-UGKGYDQZSA-N 1 0 453.635 3.251 20 0 JGADRO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001302990447 1067551865 /nfs/dbraw/zinc/55/18/65/1067551865.db2.gz FFXXPSCATPLMPE-HKBOAZHASA-N 1 0 488.702 3.208 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC001304474126 1067551963 /nfs/dbraw/zinc/55/19/63/1067551963.db2.gz HLUOPDRZIQFOIF-FQEVSTJZSA-N 1 0 491.640 3.249 20 0 JGADRO Cc1cccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304474376 1067552230 /nfs/dbraw/zinc/55/22/30/1067552230.db2.gz VOXUKKVYXITMNC-RBUKOAKNSA-N 1 0 457.623 3.434 20 0 JGADRO Cc1cccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001304474820 1067552584 /nfs/dbraw/zinc/55/25/84/1067552584.db2.gz LSIVCWFTLWYFHL-FYYLOGMGSA-N 1 0 456.635 3.257 20 0 JGADRO Cc1cccc(-c2nnc(N3CCc4nc(C(F)(F)F)ncc4C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304475174 1067553416 /nfs/dbraw/zinc/55/34/16/1067553416.db2.gz VXKJLLDETUTMJG-UHFFFAOYSA-N 1 0 460.508 3.360 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCCCC2)n1 ZINC001304477834 1067556105 /nfs/dbraw/zinc/55/61/05/1067556105.db2.gz MMRIKCLIUDDAGI-HXUWFJFHSA-N 1 0 482.677 3.401 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304478232 1067556627 /nfs/dbraw/zinc/55/66/27/1067556627.db2.gz XZWIHRWKZCIKJB-ZVDOUQERSA-N 1 0 453.635 3.074 20 0 JGADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304480687 1067560083 /nfs/dbraw/zinc/56/00/83/1067560083.db2.gz RQTLCONJCXKKCX-SFHVURJKSA-N 1 0 453.557 3.309 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001303010874 1067565531 /nfs/dbraw/zinc/56/55/31/1067565531.db2.gz YNNNNXNPZQZOSG-NTKDMRAZSA-N 1 0 477.053 3.339 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001303012376 1067566958 /nfs/dbraw/zinc/56/69/58/1067566958.db2.gz ZATSUARIDHJSSN-JYFHCDHNSA-N 1 0 466.630 3.316 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001303012377 1067566982 /nfs/dbraw/zinc/56/69/82/1067566982.db2.gz ZATSUARIDHJSSN-OZXSUGGESA-N 1 0 466.630 3.316 20 0 JGADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CC(F)(F)Br)CC2)c1 ZINC001304495099 1067571558 /nfs/dbraw/zinc/57/15/58/1067571558.db2.gz BYLJOFMEUZWGTJ-UHFFFAOYSA-N 1 0 485.377 3.035 20 0 JGADRO CC(C)CC[C@@](C)(O)Cn1c(N2CC[NH+](C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303020722 1067572738 /nfs/dbraw/zinc/57/27/38/1067572738.db2.gz FXRNVBZCOSDWPQ-RPWUZVMVSA-N 1 0 451.656 3.036 20 0 JGADRO CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303022230 1067574096 /nfs/dbraw/zinc/57/40/96/1067574096.db2.gz NLYDKHZIGULBPP-DEOSSOPVSA-N 1 0 476.691 3.377 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CC(F)(F)F)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001304500942 1067575681 /nfs/dbraw/zinc/57/56/81/1067575681.db2.gz UMGSTRNKIKMCKT-UHFFFAOYSA-N 1 0 468.568 3.438 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001304501823 1067576065 /nfs/dbraw/zinc/57/60/65/1067576065.db2.gz AEPIUNWEDVVQFC-OAQYLSRUSA-N 1 0 486.661 3.017 20 0 JGADRO NC(=O)C1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+]2CCCC2)CC1 ZINC001303024353 1067576872 /nfs/dbraw/zinc/57/68/72/1067576872.db2.gz IGNZDZAYTYIPFJ-UHFFFAOYSA-N 1 0 479.398 3.034 20 0 JGADRO Cc1cccc(OCc2nnc(N(C)CCc3cnccn3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001304503769 1067577858 /nfs/dbraw/zinc/57/78/58/1067577858.db2.gz IZFIPLNVPZPMFU-XMMPIXPASA-N 1 0 467.643 3.072 20 0 JGADRO NC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCCCC[NH+]2CCCCC2)C1 ZINC001303025218 1067577968 /nfs/dbraw/zinc/57/79/68/1067577968.db2.gz PWWBYIAPYZICLR-NRFANRHFSA-N 1 0 456.610 3.366 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C(C)C)N2CCOCC2)c1 ZINC001304506570 1067580238 /nfs/dbraw/zinc/58/02/38/1067580238.db2.gz IAFHXWGSLFAKGF-VWLOTQADSA-N 1 0 484.689 3.489 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@H](Cc4cnn(C)c4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304507056 1067580729 /nfs/dbraw/zinc/58/07/29/1067580729.db2.gz PKZIZCFCCTVKJE-OAQYLSRUSA-N 1 0 451.619 3.308 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001304509371 1067583755 /nfs/dbraw/zinc/58/37/55/1067583755.db2.gz QLTMVDPQHOAQFU-HSZRJFAPSA-N 1 0 468.646 3.200 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001304509695 1067584074 /nfs/dbraw/zinc/58/40/74/1067584074.db2.gz HGLCKGTWCKZNEA-BHIFYINESA-N 1 0 468.646 3.235 20 0 JGADRO CC(C)CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001303040680 1067585546 /nfs/dbraw/zinc/58/55/46/1067585546.db2.gz GURPYWNROZCQHL-HXUWFJFHSA-N 1 0 477.675 3.332 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001304511053 1067586128 /nfs/dbraw/zinc/58/61/28/1067586128.db2.gz GKQMLGSEKLMLTA-UYAOXDASSA-N 1 0 468.627 3.197 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304511313 1067586441 /nfs/dbraw/zinc/58/64/41/1067586441.db2.gz NCIMMBKCPWKJTE-UHFFFAOYSA-N 1 0 480.613 3.451 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@]2(O)CCO[C@H]2C)c1 ZINC001304511354 1067586798 /nfs/dbraw/zinc/58/67/98/1067586798.db2.gz ACRQOHMVHXJPNJ-LVXARBLLSA-N 1 0 471.646 3.264 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304511323 1067586839 /nfs/dbraw/zinc/58/68/39/1067586839.db2.gz NFTZYFKDEWEYQU-VSKRKVRLSA-N 1 0 457.619 3.280 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)n2CC(C)C)c1 ZINC001304511540 1067587253 /nfs/dbraw/zinc/58/72/53/1067587253.db2.gz DWKHNUPPZYIUPU-DEOSSOPVSA-N 1 0 470.662 3.053 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN(c4ncccc4F)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304511811 1067587543 /nfs/dbraw/zinc/58/75/43/1067587543.db2.gz HJKZHDXMLUCFKO-UHFFFAOYSA-N 1 0 467.593 3.366 20 0 JGADRO NC(=O)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001303044419 1067587847 /nfs/dbraw/zinc/58/78/47/1067587847.db2.gz RSEGOGPYRRIXEJ-UHFFFAOYSA-N 1 0 459.038 3.490 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCC[NH+](C(C)C)C(C)C)c1 ZINC001304511826 1067587954 /nfs/dbraw/zinc/58/79/54/1067587954.db2.gz HVLXVBMAGSSATO-NRFANRHFSA-N 1 0 470.618 3.315 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[NH+]2CCOCC2)c1 ZINC001304514061 1067591308 /nfs/dbraw/zinc/59/13/08/1067591308.db2.gz ZWMWHVHZXSMRGA-HXUWFJFHSA-N 1 0 483.535 3.045 20 0 JGADRO Cc1cccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001304515029 1067591669 /nfs/dbraw/zinc/59/16/69/1067591669.db2.gz MNHKMYKTAADTLK-HYBUGGRVSA-N 1 0 459.660 3.245 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001304514613 1067591690 /nfs/dbraw/zinc/59/16/90/1067591690.db2.gz KMQJESPPHSMNSQ-FQOCKNPQSA-N 1 0 471.646 3.260 20 0 JGADRO NC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[NH+]2CCOCC2)C1 ZINC001303052030 1067591776 /nfs/dbraw/zinc/59/17/76/1067591776.db2.gz YTCUWBFFPITEPQ-INIZCTEOSA-N 1 0 481.428 3.066 20 0 JGADRO CC(C)CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001303053933 1067593685 /nfs/dbraw/zinc/59/36/85/1067593685.db2.gz KFTPGVJHBCYBQQ-SFTDATJTSA-N 1 0 453.635 3.498 20 0 JGADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCOCC[NH+](C)C ZINC001304520214 1067595611 /nfs/dbraw/zinc/59/56/11/1067595611.db2.gz PIIXORKFTYWNAK-GOSISDBHSA-N 1 0 454.575 3.090 20 0 JGADRO Cc1ccccc1C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001304522088 1067596904 /nfs/dbraw/zinc/59/69/04/1067596904.db2.gz NSWYFHJAVDIMNK-FQEVSTJZSA-N 1 0 488.702 3.239 20 0 JGADRO O=C(C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303062919 1067599030 /nfs/dbraw/zinc/59/90/30/1067599030.db2.gz VEIDSCAHMGRKCK-UHFFFAOYSA-N 1 0 453.484 3.452 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001304533543 1067604451 /nfs/dbraw/zinc/60/44/51/1067604451.db2.gz GPYOHZVUFAFPRW-JOCHJYFZSA-N 1 0 482.673 3.497 20 0 JGADRO CC(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001303069824 1067604577 /nfs/dbraw/zinc/60/45/77/1067604577.db2.gz UTSOHVMUTNKRQV-FPOVZHCZSA-N 1 0 462.664 3.035 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001304534299 1067604829 /nfs/dbraw/zinc/60/48/29/1067604829.db2.gz MJDVEGAVTGLKBP-NRFANRHFSA-N 1 0 488.702 3.141 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001304534939 1067605479 /nfs/dbraw/zinc/60/54/79/1067605479.db2.gz KGJKLEANZYCVIQ-FQEVSTJZSA-N 1 0 488.702 3.236 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304535852 1067606606 /nfs/dbraw/zinc/60/66/06/1067606606.db2.gz WWSQUBZIHFFJDS-QFIPXVFZSA-N 1 0 495.716 3.411 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001304536271 1067606950 /nfs/dbraw/zinc/60/69/50/1067606950.db2.gz XXKPNTYRSXJHJZ-FQEVSTJZSA-N 1 0 484.645 3.279 20 0 JGADRO O=C(Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)NCC(F)(F)F ZINC001303072676 1067607287 /nfs/dbraw/zinc/60/72/87/1067607287.db2.gz BHCXGWPKYORJTM-FQEVSTJZSA-N 1 0 493.578 3.035 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304536685 1067607729 /nfs/dbraw/zinc/60/77/29/1067607729.db2.gz DFSSPWMEBQMNRZ-FGZHOGPDSA-N 1 0 468.646 3.057 20 0 JGADRO Cc1ccccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001304536725 1067607795 /nfs/dbraw/zinc/60/77/95/1067607795.db2.gz FCJAWVYYHWNURB-UHFFFAOYSA-N 1 0 484.645 3.325 20 0 JGADRO Cc1ccccc1-c1nnc(N2CCN(c3cnn(C)c3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304537179 1067608711 /nfs/dbraw/zinc/60/87/11/1067608711.db2.gz NWEJXJGYGQFZOC-OAQYLSRUSA-N 1 0 450.635 3.290 20 0 JGADRO O=C(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1)NCC(F)F ZINC001303079143 1067612795 /nfs/dbraw/zinc/61/27/95/1067612795.db2.gz MFHQCTJGNBNCQO-UHFFFAOYSA-N 1 0 485.004 3.280 20 0 JGADRO Cc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001304544714 1067614916 /nfs/dbraw/zinc/61/49/16/1067614916.db2.gz XUWYFQBQDCFOJJ-OAQYLSRUSA-N 1 0 452.647 3.298 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)C[C@H]2CCCCO2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304546983 1067615866 /nfs/dbraw/zinc/61/58/66/1067615866.db2.gz IHCWSGMZNJPRPV-HSZRJFAPSA-N 1 0 455.647 3.418 20 0 JGADRO Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001304547945 1067616730 /nfs/dbraw/zinc/61/67/30/1067616730.db2.gz RQVQKQKNKKQXJQ-UNMCSNQZSA-N 1 0 459.660 3.065 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304549266 1067618441 /nfs/dbraw/zinc/61/84/41/1067618441.db2.gz INELUIPWQUSPJF-ZLNRFVROSA-N 1 0 452.647 3.401 20 0 JGADRO O=C(NCC(F)(F)F)C1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303086426 1067619338 /nfs/dbraw/zinc/61/93/38/1067619338.db2.gz IVJDKYFAQCGHCS-UHFFFAOYSA-N 1 0 454.541 3.093 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001304551013 1067620523 /nfs/dbraw/zinc/62/05/23/1067620523.db2.gz NSULYPPXYQNCRE-HSZRJFAPSA-N 1 0 496.700 3.373 20 0 JGADRO O=C(NCC(F)(F)F)[C@@H]1CCN(c2nnc(C3CCC3)n2CCCCC[NH+]2CCCC2)C1 ZINC001303087387 1067621142 /nfs/dbraw/zinc/62/11/42/1067621142.db2.gz PRJSYECFNGJXQA-GOSISDBHSA-N 1 0 456.557 3.317 20 0 JGADRO O=C(NCC(F)(F)F)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC[NH+]2CCCCC2)CC1 ZINC001303087610 1067621439 /nfs/dbraw/zinc/62/14/39/1067621439.db2.gz QXSVYMGYANFMGH-UHFFFAOYSA-N 1 0 467.540 3.044 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001304552926 1067622549 /nfs/dbraw/zinc/62/25/49/1067622549.db2.gz MCWLVDTURZCVAO-VWLOTQADSA-N 1 0 496.700 3.107 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001304555535 1067624111 /nfs/dbraw/zinc/62/41/11/1067624111.db2.gz FZUFCLKJKJWNFU-HSZRJFAPSA-N 1 0 452.647 3.391 20 0 JGADRO C[C@@](CO)(c1ccc(Br)cc1)N1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001304556113 1067624873 /nfs/dbraw/zinc/62/48/73/1067624873.db2.gz IPTQGGWMQDDTCO-JOCHJYFZSA-N 1 0 452.437 3.067 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304556180 1067624926 /nfs/dbraw/zinc/62/49/26/1067624926.db2.gz GUBZEXJHJWOTDR-DEOSSOPVSA-N 1 0 496.700 3.154 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccn3C)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001303089507 1067625461 /nfs/dbraw/zinc/62/54/61/1067625461.db2.gz DAKOCGWQXKRHGA-UHFFFAOYSA-N 1 0 469.678 3.346 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303089731 1067625919 /nfs/dbraw/zinc/62/59/19/1067625919.db2.gz GWRNBHQCLUELLY-ZDXQCDESSA-N 1 0 476.710 3.086 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)C2CCC3(CC2)OCCO3)CC1 ZINC001303090555 1067627110 /nfs/dbraw/zinc/62/71/10/1067627110.db2.gz XHYBZKATPFXCEA-UHFFFAOYSA-N 1 0 490.693 3.296 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001303091120 1067627808 /nfs/dbraw/zinc/62/78/08/1067627808.db2.gz MZWJJKNWNKVCSC-IBGZPJMESA-N 1 0 474.675 3.253 20 0 JGADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001303091297 1067628188 /nfs/dbraw/zinc/62/81/88/1067628188.db2.gz SJCUEXXTNYEEFJ-FGZHOGPDSA-N 1 0 465.708 3.421 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(c3cnccn3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304559312 1067628336 /nfs/dbraw/zinc/62/83/36/1067628336.db2.gz JEYTZACCSHEMTI-QHCPKHFHSA-N 1 0 462.646 3.270 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC[N@H+]1CC=CCC1 ZINC001304559882 1067628821 /nfs/dbraw/zinc/62/88/21/1067628821.db2.gz COXWKNWNILFMLG-UHFFFAOYSA-N 1 0 480.554 3.462 20 0 JGADRO Cc1nc(CN2CCN(c3nnc(Cc4ccccc4C)n3C[C@H](C)[NH+](C)C)CC2)oc1C ZINC001304560212 1067629485 /nfs/dbraw/zinc/62/94/85/1067629485.db2.gz DVANCFJCBWFRTI-IBGZPJMESA-N 1 0 451.619 3.054 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCC(=O)N(C)C ZINC001304560551 1067630229 /nfs/dbraw/zinc/63/02/29/1067630229.db2.gz UFUMWEXKIYTJST-FQEVSTJZSA-N 1 0 452.647 3.356 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[S@@](=O)C(C)(C)C ZINC001304560526 1067630290 /nfs/dbraw/zinc/63/02/90/1067630290.db2.gz SVLJBDMQDSWTBM-ZCWHBTPQSA-N 1 0 487.714 3.414 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001303094755 1067631396 /nfs/dbraw/zinc/63/13/96/1067631396.db2.gz JCROWFLJVBDYKO-CPJSRVTESA-N 1 0 486.686 3.119 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001304561883 1067632214 /nfs/dbraw/zinc/63/22/14/1067632214.db2.gz RGWMOXLPCBRXCH-QFIPXVFZSA-N 1 0 490.718 3.156 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001304562088 1067632253 /nfs/dbraw/zinc/63/22/53/1067632253.db2.gz JOZIYLURTNKDDW-GOTSBHOMSA-N 1 0 498.672 3.247 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)F)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001304561972 1067632286 /nfs/dbraw/zinc/63/22/86/1067632286.db2.gz SFCNCHJTIHPQJB-OAQYLSRUSA-N 1 0 476.616 3.065 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC(=O)N2CCOCC2)cc1 ZINC001303096331 1067633178 /nfs/dbraw/zinc/63/31/78/1067633178.db2.gz VDHPAAOWEOMSBU-UHFFFAOYSA-N 1 0 498.672 3.196 20 0 JGADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001304562804 1067633419 /nfs/dbraw/zinc/63/34/19/1067633419.db2.gz YSKFGMMLWRNQNB-UHFFFAOYSA-N 1 0 475.641 3.278 20 0 JGADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001304570409 1067638383 /nfs/dbraw/zinc/63/83/83/1067638383.db2.gz MWCAIAUOWHCQLP-UHFFFAOYSA-N 1 0 498.672 3.500 20 0 JGADRO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001303102287 1067640893 /nfs/dbraw/zinc/64/08/93/1067640893.db2.gz PSIMQROVGVLLGI-SIKLNZKXSA-N 1 0 477.675 3.334 20 0 JGADRO Cc1ccccc1OCCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+](C)C)CCC1 ZINC001304573939 1067642687 /nfs/dbraw/zinc/64/26/87/1067642687.db2.gz GCKVXCOSMZCRAL-UHFFFAOYSA-N 1 0 463.586 3.233 20 0 JGADRO Cc1ccccc1OCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001304577878 1067646151 /nfs/dbraw/zinc/64/61/51/1067646151.db2.gz PLRREMRHLDVYAQ-NRFANRHFSA-N 1 0 489.686 3.268 20 0 JGADRO Cc1ccccc1OCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001304578210 1067646422 /nfs/dbraw/zinc/64/64/22/1067646422.db2.gz UHFPZQQLGGUTGE-QFIPXVFZSA-N 1 0 489.686 3.126 20 0 JGADRO CC(C)CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303110378 1067648616 /nfs/dbraw/zinc/64/86/16/1067648616.db2.gz UMJLNMRQWRUHJN-PMACEKPBSA-N 1 0 455.607 3.051 20 0 JGADRO CC(C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001303114074 1067652049 /nfs/dbraw/zinc/65/20/49/1067652049.db2.gz ONXNDNTZKRXYQU-FQEVSTJZSA-N 1 0 455.607 3.053 20 0 JGADRO CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001304594496 1067659624 /nfs/dbraw/zinc/65/96/24/1067659624.db2.gz OUYCOIXQNAFIEP-NRFANRHFSA-N 1 0 486.686 3.472 20 0 JGADRO Cc1cccc(OCc2nnc(N3CC=C(C)CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304598100 1067661206 /nfs/dbraw/zinc/66/12/06/1067661206.db2.gz LSAWSUJQTCXFRK-QHCPKHFHSA-N 1 0 466.630 3.265 20 0 JGADRO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)c1 ZINC001304598782 1067662282 /nfs/dbraw/zinc/66/22/82/1067662282.db2.gz HTEVXCRROCXUAP-VWPQPMDRSA-N 1 0 470.666 3.131 20 0 JGADRO Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccccc4Cl)n3CC[N@@H+](C)C(C)C)CCO2)c1 ZINC001304600386 1067664160 /nfs/dbraw/zinc/66/41/60/1067664160.db2.gz BMIWPKYGDXRVTD-IBGZPJMESA-N 1 0 458.010 3.349 20 0 JGADRO OC1(C(F)(F)F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCCC2)CC1 ZINC001303137161 1067678599 /nfs/dbraw/zinc/67/85/99/1067678599.db2.gz ZKJFTYPVDWKWAM-UHFFFAOYSA-N 1 0 458.916 3.373 20 0 JGADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001303143194 1067681804 /nfs/dbraw/zinc/68/18/04/1067681804.db2.gz AYOUJYDPKJRBNO-RBUKOAKNSA-N 1 0 452.525 3.356 20 0 JGADRO Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001304614847 1067682190 /nfs/dbraw/zinc/68/21/90/1067682190.db2.gz UUILBDSDEGEEKD-NRFANRHFSA-N 1 0 450.587 3.385 20 0 JGADRO OC1(Cn2c(-c3ccccc3F)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1 ZINC001303143634 1067682413 /nfs/dbraw/zinc/68/24/13/1067682413.db2.gz NZBNLWBFOALJLA-UHFFFAOYSA-N 1 0 471.499 3.090 20 0 JGADRO OC[C@@H]1CCC[N@@H+]1CCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303144397 1067683809 /nfs/dbraw/zinc/68/38/09/1067683809.db2.gz QEVWHPYVLFAMDO-ICSRJNTNSA-N 1 0 485.526 3.012 20 0 JGADRO OC[C@H]1CCC[N@@H+]1CCCCn1c(C2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001303144706 1067683842 /nfs/dbraw/zinc/68/38/42/1067683842.db2.gz UFWDMYOETHZHKJ-HXUWFJFHSA-N 1 0 472.600 3.247 20 0 JGADRO Cc1csc([C@@H](C)Cn2c(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)n1 ZINC001304617900 1067685964 /nfs/dbraw/zinc/68/59/64/1067685964.db2.gz DUKFTCRNMHDFGW-FPOVZHCZSA-N 1 0 489.734 3.375 20 0 JGADRO Cc1csc([C@@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3C[C@H](C)[NH+](C)C)CCO2)n1 ZINC001304620343 1067688790 /nfs/dbraw/zinc/68/87/90/1067688790.db2.gz DQVUOPKLBKOPPO-BBRMVZONSA-N 1 0 480.436 3.329 20 0 JGADRO OCCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCC(F)(F)CC1 ZINC001303152793 1067689142 /nfs/dbraw/zinc/68/91/42/1067689142.db2.gz FBAQBBHFJLONGC-SFHVURJKSA-N 1 0 453.509 3.079 20 0 JGADRO 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Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304713774 1067785007 /nfs/dbraw/zinc/78/50/07/1067785007.db2.gz PLOHYGQRUWWTEY-CJAUYULYSA-N 1 0 470.666 3.011 20 0 JGADRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001303258273 1067785095 /nfs/dbraw/zinc/78/50/95/1067785095.db2.gz LEGYYTUFKNXGSV-FQEVSTJZSA-N 1 0 478.588 3.426 20 0 JGADRO Cc1nccn1CCn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001304714271 1067785513 /nfs/dbraw/zinc/78/55/13/1067785513.db2.gz XUMGJGMBZHSWFM-UHFFFAOYSA-N 1 0 464.662 3.330 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001303261296 1067786982 /nfs/dbraw/zinc/78/69/82/1067786982.db2.gz DIBNXSQVFWJDSV-HSZRJFAPSA-N 1 0 489.686 3.474 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCNC(=O)C1 ZINC001303261213 1067787030 /nfs/dbraw/zinc/78/70/30/1067787030.db2.gz BCNLXBHSXUAPGK-UHFFFAOYSA-N 1 0 469.815 3.028 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303261505 1067787414 /nfs/dbraw/zinc/78/74/14/1067787414.db2.gz KWZYBEDJIVBXGM-AWEZNQCLSA-N 1 0 469.453 3.201 20 0 JGADRO Cc1nccnc1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001304716971 1067789346 /nfs/dbraw/zinc/78/93/46/1067789346.db2.gz GOOJIRWAJCPAEP-UHFFFAOYSA-N 1 0 487.450 3.308 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304718845 1067790082 /nfs/dbraw/zinc/79/00/82/1067790082.db2.gz FIRNJTFBTYSQHR-HDICACEKSA-N 1 0 453.639 3.033 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001303262975 1067790128 /nfs/dbraw/zinc/79/01/28/1067790128.db2.gz KUJGAZIPGSLFNG-LJQANCHMSA-N 1 0 459.639 3.460 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001303262933 1067790143 /nfs/dbraw/zinc/79/01/43/1067790143.db2.gz JCEULTZBKZOIAT-IBGZPJMESA-N 1 0 495.093 3.333 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnccn2)n1CCC[N@H+](C)C1CCCCC1 ZINC001304720419 1067791436 /nfs/dbraw/zinc/79/14/36/1067791436.db2.gz UHJSMTPRHNULCG-UHFFFAOYSA-N 1 0 451.623 3.376 20 0 JGADRO CC(C)n1nc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001303264227 1067791630 /nfs/dbraw/zinc/79/16/30/1067791630.db2.gz HQMHYWWCSLSHSS-KNQAVFIVSA-N 1 0 481.645 3.173 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001303264516 1067791970 /nfs/dbraw/zinc/79/19/70/1067791970.db2.gz CWKLKLZWDDSKPY-MRXNPFEDSA-N 1 0 455.529 3.138 20 0 JGADRO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccccc2F)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304721159 1067792119 /nfs/dbraw/zinc/79/21/19/1067792119.db2.gz BNCCGEFICTWOTB-KDURUIRLSA-N 1 0 499.635 3.482 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(CC(C)(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O ZINC001303265140 1067792313 /nfs/dbraw/zinc/79/23/13/1067792313.db2.gz HAHBCDDTCYOFPW-UHFFFAOYSA-N 1 0 454.619 3.329 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001303264861 1067792492 /nfs/dbraw/zinc/79/24/92/1067792492.db2.gz ZAEDRVADNUVWNX-UHFFFAOYSA-N 1 0 499.679 3.339 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001303265465 1067792711 /nfs/dbraw/zinc/79/27/11/1067792711.db2.gz KAOPPIHKINQWNL-VWLOTQADSA-N 1 0 487.599 3.363 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001303266470 1067793614 /nfs/dbraw/zinc/79/36/14/1067793614.db2.gz QRWLTFXSEFRVSH-MOPGFXCFSA-N 1 0 450.628 3.353 20 0 JGADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001303267071 1067794105 /nfs/dbraw/zinc/79/41/05/1067794105.db2.gz YUVFDOJSAVVOMP-OAQYLSRUSA-N 1 0 472.609 3.004 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303267698 1067794663 /nfs/dbraw/zinc/79/46/63/1067794663.db2.gz FYQMQHBGJLLJIY-KRWDZBQOSA-N 1 0 493.450 3.052 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC001303267982 1067795113 /nfs/dbraw/zinc/79/51/13/1067795113.db2.gz MDQBMIQKAFVHGN-UHFFFAOYSA-N 1 0 465.621 3.456 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001303267903 1067795466 /nfs/dbraw/zinc/79/54/66/1067795466.db2.gz JRWFGPUWMFICJQ-HXUWFJFHSA-N 1 0 472.659 3.094 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001303269202 1067797806 /nfs/dbraw/zinc/79/78/06/1067797806.db2.gz UEJWGSSVRNRTSC-UHFFFAOYSA-N 1 0 484.576 3.282 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001303269272 1067797957 /nfs/dbraw/zinc/79/79/57/1067797957.db2.gz WLCUMPZIMVIPMK-FQEVSTJZSA-N 1 0 484.004 3.497 20 0 JGADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001304725866 1067798336 /nfs/dbraw/zinc/79/83/36/1067798336.db2.gz LNMWTCCDAIQYMB-UHFFFAOYSA-N 1 0 470.710 3.414 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001303270405 1067799299 /nfs/dbraw/zinc/79/92/99/1067799299.db2.gz KDCOQRMJTDKLRU-LJQANCHMSA-N 1 0 457.600 3.276 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001303270928 1067799723 /nfs/dbraw/zinc/79/97/23/1067799723.db2.gz MTEIXUBQNLHQTN-KSFYIVLOSA-N 1 0 451.974 3.462 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001303271040 1067800136 /nfs/dbraw/zinc/80/01/36/1067800136.db2.gz IGHZELAPZJTSMW-UHFFFAOYSA-N 1 0 453.635 3.299 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001303271679 1067800529 /nfs/dbraw/zinc/80/05/29/1067800529.db2.gz RRQQNDCNHKRNDB-UHFFFAOYSA-N 1 0 456.541 3.447 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001303271739 1067800579 /nfs/dbraw/zinc/80/05/79/1067800579.db2.gz TXBQBGAABQGIAO-CYBMUJFWSA-N 1 0 469.815 3.013 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001303271998 1067801010 /nfs/dbraw/zinc/80/10/10/1067801010.db2.gz WWHDDXGNELEWCV-KRWDZBQOSA-N 1 0 482.551 3.129 20 0 JGADRO CC(C)[N@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303274271 1067801559 /nfs/dbraw/zinc/80/15/59/1067801559.db2.gz BNDRKVCIKFFTHS-HXUWFJFHSA-N 1 0 486.642 3.344 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001303275027 1067802455 /nfs/dbraw/zinc/80/24/55/1067802455.db2.gz QICMNZZQDRXYOS-UHFFFAOYSA-N 1 0 473.710 3.189 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001303275408 1067802774 /nfs/dbraw/zinc/80/27/74/1067802774.db2.gz CBTZJQNCVGLTET-FFSRPXEDSA-N 1 0 490.693 3.330 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001303276293 1067803892 /nfs/dbraw/zinc/80/38/92/1067803892.db2.gz FHFYWFQGRARRQH-UHFFFAOYSA-N 1 0 456.635 3.461 20 0 JGADRO CC(C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCSC(C)(C)C1 ZINC001303276713 1067804685 /nfs/dbraw/zinc/80/46/85/1067804685.db2.gz NKRJHOSJRMNSQI-UHFFFAOYSA-N 1 0 458.680 3.124 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001303277325 1067804712 /nfs/dbraw/zinc/80/47/12/1067804712.db2.gz UEXXVGXXJKWUQG-FQEVSTJZSA-N 1 0 475.037 3.128 20 0 JGADRO CC(C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001303277955 1067805079 /nfs/dbraw/zinc/80/50/79/1067805079.db2.gz XDNPPLGVONJRIW-UHFFFAOYSA-N 1 0 459.038 3.311 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001303277341 1067805095 /nfs/dbraw/zinc/80/50/95/1067805095.db2.gz PNVLFTBHMQVOPA-UHFFFAOYSA-N 1 0 489.686 3.178 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001303278069 1067805667 /nfs/dbraw/zinc/80/56/67/1067805667.db2.gz YKOYMRVMJXGGIN-MSOLQXFVSA-N 1 0 476.025 3.026 20 0 JGADRO CC(C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001303278425 1067806540 /nfs/dbraw/zinc/80/65/40/1067806540.db2.gz DCBTYMBVWUJQCC-WOJBJXKFSA-N 1 0 474.675 3.253 20 0 JGADRO CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001303278382 1067806668 /nfs/dbraw/zinc/80/66/68/1067806668.db2.gz BQUFUDVKTYQDLP-HNNXBMFYSA-N 1 0 469.417 3.206 20 0 JGADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(Cc4ccccc4F)n3CC[N@@H+](C)C(C)C)C2)n1 ZINC001304735151 1067809140 /nfs/dbraw/zinc/80/91/40/1067809140.db2.gz RFKRPIBDOJTKSJ-OAQYLSRUSA-N 1 0 454.598 3.398 20 0 JGADRO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001303282042 1067809785 /nfs/dbraw/zinc/80/97/85/1067809785.db2.gz PGKMXCXUNPXLSJ-MJGOQNOKSA-N 1 0 463.623 3.217 20 0 JGADRO CC(C)N(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001303288611 1067813646 /nfs/dbraw/zinc/81/36/46/1067813646.db2.gz VRDJZKOYQMWUIR-KRWDZBQOSA-N 1 0 451.662 3.141 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1COc2ccccc2O1)C(C)C ZINC001303291149 1067815223 /nfs/dbraw/zinc/81/52/23/1067815223.db2.gz CYOOSOYYUYRRDP-PMACEKPBSA-N 1 0 470.618 3.014 20 0 JGADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ncccc2F)CC1)C(C)C ZINC001303291088 1067815401 /nfs/dbraw/zinc/81/54/01/1067815401.db2.gz KGCBLNUZVRUHOL-UHFFFAOYSA-N 1 0 483.640 3.438 20 0 JGADRO CC(C)[NH+](CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCNC2=O)CC1)C(C)C ZINC001303291381 1067815806 /nfs/dbraw/zinc/81/58/06/1067815806.db2.gz HORYPWYBYISGQE-NRFANRHFSA-N 1 0 461.655 3.023 20 0 JGADRO CC(C)[NH+](CCCn1c(C2CCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)C(C)C ZINC001303291550 1067816028 /nfs/dbraw/zinc/81/60/28/1067816028.db2.gz JQSOKBPBKQFVJN-UHFFFAOYSA-N 1 0 473.710 3.189 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C ZINC001303291582 1067816343 /nfs/dbraw/zinc/81/63/43/1067816343.db2.gz KQJSJYPBKZGVSH-HXUWFJFHSA-N 1 0 458.582 3.158 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC001304741067 1067816842 /nfs/dbraw/zinc/81/68/42/1067816842.db2.gz PCZHAODVDQSJQR-OAQYLSRUSA-N 1 0 491.562 3.143 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304741281 1067817012 /nfs/dbraw/zinc/81/70/12/1067817012.db2.gz GZYQZYCNRMEUGD-KDURUIRLSA-N 1 0 486.690 3.429 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccco3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001304741318 1067817694 /nfs/dbraw/zinc/81/76/94/1067817694.db2.gz HTVWECHYURKAGH-PMACEKPBSA-N 1 0 455.607 3.257 20 0 JGADRO CC(C)[NH+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)C(C)C ZINC001303292442 1067817844 /nfs/dbraw/zinc/81/78/44/1067817844.db2.gz FJCUYKGCHRVBRQ-GOSISDBHSA-N 1 0 474.572 3.181 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C ZINC001303292531 1067817888 /nfs/dbraw/zinc/81/78/88/1067817888.db2.gz ICNFKKDQDISGJA-LJQANCHMSA-N 1 0 476.572 3.476 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)c2ccccc2C1)C(C)C ZINC001303292360 1067817996 /nfs/dbraw/zinc/81/79/96/1067817996.db2.gz YAJMFAHUOBHYOE-QFIPXVFZSA-N 1 0 488.702 3.146 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2OCO[C@H]2C1)C(C)C ZINC001303292502 1067818023 /nfs/dbraw/zinc/81/80/23/1067818023.db2.gz HGDUUIJRIXHPSA-KDURUIRLSA-N 1 0 464.408 3.388 20 0 JGADRO CC(C)[NH+](CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(F)cn2)CC1)C(C)C ZINC001303292555 1067818200 /nfs/dbraw/zinc/81/82/00/1067818200.db2.gz IEKXJNHVKLVPGK-OAQYLSRUSA-N 1 0 459.614 3.499 20 0 JGADRO CC(C)[NH+](CCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001303292806 1067818375 /nfs/dbraw/zinc/81/83/75/1067818375.db2.gz PTMICPHWCAQCSB-OAQYLSRUSA-N 1 0 486.686 3.482 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C ZINC001303295388 1067819212 /nfs/dbraw/zinc/81/92/12/1067819212.db2.gz DHDICLLWTJRZFX-IBGZPJMESA-N 1 0 491.478 3.347 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001303295854 1067819797 /nfs/dbraw/zinc/81/97/97/1067819797.db2.gz JZXWYJDSWQQSDJ-UHFFFAOYSA-N 1 0 484.464 3.061 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C)s3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304742897 1067819880 /nfs/dbraw/zinc/81/98/80/1067819880.db2.gz WUZQMTNTDMCOBO-KDURUIRLSA-N 1 0 472.663 3.040 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1)C(C)C ZINC001303296387 1067820036 /nfs/dbraw/zinc/82/00/36/1067820036.db2.gz HMTGBFHZVSACSX-QHCPKHFHSA-N 1 0 469.609 3.229 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2ccccc2)CC1)C(C)C ZINC001303295943 1067820180 /nfs/dbraw/zinc/82/01/80/1067820180.db2.gz MMLZERYQGNALQV-UHFFFAOYSA-N 1 0 451.619 3.285 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)C(C)C ZINC001303297649 1067821709 /nfs/dbraw/zinc/82/17/09/1067821709.db2.gz SYSCXRSXSYYZLP-UHFFFAOYSA-N 1 0 489.668 3.406 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCN(C2CCCCC2)C(=O)C1)C(C)C ZINC001303297619 1067821744 /nfs/dbraw/zinc/82/17/44/1067821744.db2.gz SBDZHJDJDLSALS-UHFFFAOYSA-N 1 0 467.662 3.364 20 0 JGADRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)C(C)C ZINC001303297990 1067822145 /nfs/dbraw/zinc/82/21/45/1067822145.db2.gz YTVUFYDWXFHQDH-UHFFFAOYSA-N 1 0 495.594 3.278 20 0 JGADRO CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N1CCC(n2cc(Cl)cn2)CC1)C(C)C ZINC001303298013 1067822237 /nfs/dbraw/zinc/82/22/37/1067822237.db2.gz ZOPOCRQBEBEZSA-UHFFFAOYSA-N 1 0 477.057 3.211 20 0 JGADRO CC(C)[NH+](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)CC1)C(C)C ZINC001303298322 1067823033 /nfs/dbraw/zinc/82/30/33/1067823033.db2.gz LDNJZBMZLCRFOS-UHFFFAOYSA-N 1 0 456.616 3.288 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1)C(C)C ZINC001303298939 1067823636 /nfs/dbraw/zinc/82/36/36/1067823636.db2.gz OKGYQMBHTSEMMS-GOSISDBHSA-N 1 0 469.602 3.214 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001303299661 1067823881 /nfs/dbraw/zinc/82/38/81/1067823881.db2.gz WZHGELLFBWXGRE-PMACEKPBSA-N 1 0 464.655 3.394 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C2CCC2)CC1 ZINC001303299093 1067823895 /nfs/dbraw/zinc/82/38/95/1067823895.db2.gz ZMCXOMJTSCHGGR-UHFFFAOYSA-N 1 0 451.413 3.260 20 0 JGADRO CC(C)[NH+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[C@@H](F)C1)C(C)C ZINC001303298976 1067824147 /nfs/dbraw/zinc/82/41/47/1067824147.db2.gz PIKHZNDWYICPSP-XLIONFOSSA-N 1 0 455.582 3.105 20 0 JGADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC001303299743 1067824408 /nfs/dbraw/zinc/82/44/08/1067824408.db2.gz ZKEZXRZEWXNOOO-RTWAWAEBSA-N 1 0 458.582 3.065 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](COc2ccccc2)C1)C(C)C ZINC001303299710 1067824517 /nfs/dbraw/zinc/82/45/17/1067824517.db2.gz YMJJPDWFYMUKEA-UNMCSNQZSA-N 1 0 454.619 3.253 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001304745431 1067824758 /nfs/dbraw/zinc/82/47/58/1067824758.db2.gz KPOZNCLLYHGBNL-UHFFFAOYSA-N 1 0 483.583 3.419 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304745638 1067825025 /nfs/dbraw/zinc/82/50/25/1067825025.db2.gz TUANILLIQOODRG-OYRHEFFESA-N 1 0 475.682 3.279 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001304745639 1067825200 /nfs/dbraw/zinc/82/52/00/1067825200.db2.gz TUANILLIQOODRG-SFTDATJTSA-N 1 0 475.682 3.279 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001303301668 1067826146 /nfs/dbraw/zinc/82/61/46/1067826146.db2.gz MKNPIQFXPSVDDZ-HXUWFJFHSA-N 1 0 499.660 3.021 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001303301923 1067826323 /nfs/dbraw/zinc/82/63/23/1067826323.db2.gz VMXWJHBVKNRLDD-GOSISDBHSA-N 1 0 492.462 3.416 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001303301890 1067826440 /nfs/dbraw/zinc/82/64/40/1067826440.db2.gz UJUOUHSHPWCOGR-QGZVFWFLSA-N 1 0 451.974 3.198 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCOc2ccccc2)C1 ZINC001303302320 1067826736 /nfs/dbraw/zinc/82/67/36/1067826736.db2.gz HNXXKUNOKMZZQZ-OAQYLSRUSA-N 1 0 454.619 3.150 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCOc2ccccc2)C1 ZINC001303302319 1067826801 /nfs/dbraw/zinc/82/68/01/1067826801.db2.gz HNXXKUNOKMZZQZ-NRFANRHFSA-N 1 0 454.619 3.150 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC001303302912 1067827742 /nfs/dbraw/zinc/82/77/42/1067827742.db2.gz CEJIQHCCMUMHGW-QZTJIDSGSA-N 1 0 467.540 3.403 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCC(F)(F)F)C1 ZINC001303303048 1067828278 /nfs/dbraw/zinc/82/82/78/1067828278.db2.gz RNQFSTDRMATARP-INIZCTEOSA-N 1 0 453.513 3.434 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)S[C@H](C)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001304748451 1067828317 /nfs/dbraw/zinc/82/83/17/1067828317.db2.gz AEXHEQMELUOYTQ-NHCUHLMSSA-N 1 0 483.686 3.459 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001304748452 1067828385 /nfs/dbraw/zinc/82/83/85/1067828385.db2.gz AEXHEQMELUOYTQ-OYRHEFFESA-N 1 0 483.686 3.459 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)nnc2C(C)(C)C)CC1 ZINC001303302980 1067828311 /nfs/dbraw/zinc/82/83/11/1067828311.db2.gz PDVJAFBTVOGILV-IBGZPJMESA-N 1 0 478.682 3.257 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001303302957 1067828392 /nfs/dbraw/zinc/82/83/92/1067828392.db2.gz CXBZTXCMDHPXBN-OTWHNJEPSA-N 1 0 486.583 3.145 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001303303549 1067829124 /nfs/dbraw/zinc/82/91/24/1067829124.db2.gz XNCUATWNIMDLKO-IBGZPJMESA-N 1 0 469.634 3.440 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccccc3F)nnc2N(C)CCC(F)F)CC1 ZINC001303303737 1067829347 /nfs/dbraw/zinc/82/93/47/1067829347.db2.gz ZTYXVXNLJAHXRC-UHFFFAOYSA-N 1 0 455.525 3.323 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001303303497 1067829354 /nfs/dbraw/zinc/82/93/54/1067829354.db2.gz WOZBOEDVEFHVIW-ZWKOTPCHSA-N 1 0 489.462 3.495 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001303303853 1067829940 /nfs/dbraw/zinc/82/99/40/1067829940.db2.gz AHWBFNPPSBSPPV-CEXWTWQISA-N 1 0 458.573 3.323 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2CCC[NH+]2CCCC2)n1 ZINC001304750170 1067830341 /nfs/dbraw/zinc/83/03/41/1067830341.db2.gz USMWQWOYSCDYNC-QFIPXVFZSA-N 1 0 484.693 3.003 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(CCCO)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001304750799 1067830927 /nfs/dbraw/zinc/83/09/27/1067830927.db2.gz DXGPFAZNXPBSQL-NRFANRHFSA-N 1 0 471.675 3.493 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)c2ccccc2)CC1 ZINC001303304636 1067831988 /nfs/dbraw/zinc/83/19/88/1067831988.db2.gz ITNCYNLTZSOZLY-NRFANRHFSA-N 1 0 476.629 3.371 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001303304716 1067832057 /nfs/dbraw/zinc/83/20/57/1067832057.db2.gz OPWFYCLUGVBBHF-LSDHHAIUSA-N 1 0 485.580 3.461 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304752777 1067833030 /nfs/dbraw/zinc/83/30/30/1067833030.db2.gz UJKDFSXHDUEDFY-MOPGFXCFSA-N 1 0 483.583 3.418 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(Nc3ccn(C)n3)nnc2C(=O)NCc2ccc(Cl)cc2)C1 ZINC001303305690 1067833438 /nfs/dbraw/zinc/83/34/38/1067833438.db2.gz UMYGHXBHKCVWAT-SFHVURJKSA-N 1 0 471.009 3.459 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001304753108 1067833920 /nfs/dbraw/zinc/83/39/20/1067833920.db2.gz WHENUWDHTSZUOP-MOPGFXCFSA-N 1 0 471.572 3.415 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304753295 1067834415 /nfs/dbraw/zinc/83/44/15/1067834415.db2.gz ASQCCNRAQNMPST-JOCHJYFZSA-N 1 0 497.623 3.019 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(F)(F)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001304753995 1067835305 /nfs/dbraw/zinc/83/53/05/1067835305.db2.gz HTHOFQSLONDEJW-UHFFFAOYSA-N 1 0 473.572 3.364 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001303307915 1067835662 /nfs/dbraw/zinc/83/56/62/1067835662.db2.gz MRNJBRQZYIHKBI-INIZCTEOSA-N 1 0 470.014 3.093 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001303307918 1067835828 /nfs/dbraw/zinc/83/58/28/1067835828.db2.gz MRNJBRQZYIHKBI-MRXNPFEDSA-N 1 0 470.014 3.093 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC(NC(=O)c4ccoc4C)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304754941 1067837281 /nfs/dbraw/zinc/83/72/81/1067837281.db2.gz SNZJENLLVFHCIB-UHFFFAOYSA-N 1 0 496.660 3.170 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303309915 1067837504 /nfs/dbraw/zinc/83/75/04/1067837504.db2.gz JBCVLNXQSIFNNZ-HXUWFJFHSA-N 1 0 484.649 3.303 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)n2CCC(C)(C)O)n1 ZINC001304755437 1067838195 /nfs/dbraw/zinc/83/81/95/1067838195.db2.gz ZOTBYEOYXXWHBR-JOCHJYFZSA-N 1 0 451.619 3.011 20 0 JGADRO CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001303310592 1067838677 /nfs/dbraw/zinc/83/86/77/1067838677.db2.gz OQHNUUNOKOTLLE-HNNXBMFYSA-N 1 0 458.554 3.421 20 0 JGADRO CC(C)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001303310943 1067839272 /nfs/dbraw/zinc/83/92/72/1067839272.db2.gz NWHXHVRCLCEHDK-UHFFFAOYSA-N 1 0 480.535 3.034 20 0 JGADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001304755839 1067839421 /nfs/dbraw/zinc/83/94/21/1067839421.db2.gz HBJKZRZDAWHYSM-RPWUZVMVSA-N 1 0 498.720 3.249 20 0 JGADRO 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CC(C)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001303384714 1067912870 /nfs/dbraw/zinc/91/28/70/1067912870.db2.gz BGDHZARJCNXFPY-QFIPXVFZSA-N 1 0 468.646 3.048 20 0 JGADRO Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304869145 1067912836 /nfs/dbraw/zinc/91/28/36/1067912836.db2.gz LWQZNXWHXSQPBC-PMACEKPBSA-N 1 0 451.681 3.282 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1C[C@H](C)[NH+](C)C ZINC001303385108 1067913364 /nfs/dbraw/zinc/91/33/64/1067913364.db2.gz GVHHJFBSGHSFRV-IRXDYDNUSA-N 1 0 459.664 3.086 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1C[C@@H](C)[NH+](C)C ZINC001303385109 1067913430 /nfs/dbraw/zinc/91/34/30/1067913430.db2.gz GVHHJFBSGHSFRV-SJORKVTESA-N 1 0 459.664 3.086 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C[C@](C)(O)c1ccsc1 ZINC001303386831 1067914176 /nfs/dbraw/zinc/91/41/76/1067914176.db2.gz AKJZAKAUTOMDSP-FHAGJXEFSA-N 1 0 488.702 3.476 20 0 JGADRO 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ZINC001304924311 1067966948 /nfs/dbraw/zinc/96/69/48/1067966948.db2.gz IJGOZKHAPXYLDQ-MLBCHFTJSA-N 1 0 480.723 3.273 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001304924507 1067967320 /nfs/dbraw/zinc/96/73/20/1067967320.db2.gz HYRKPMWVRYPAGW-NJYVYQBISA-N 1 0 486.636 3.421 20 0 JGADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001304925111 1067968063 /nfs/dbraw/zinc/96/80/63/1067968063.db2.gz KYGPFFIJVQYXFR-FUPPJEDESA-N 1 0 484.693 3.178 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001304925233 1067968635 /nfs/dbraw/zinc/96/86/35/1067968635.db2.gz LQWLMMYAQBCZQZ-ACRUOGEOSA-N 1 0 480.723 3.164 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC2CC2)C1 ZINC001304925267 1067968687 /nfs/dbraw/zinc/96/86/87/1067968687.db2.gz LTHWUKZYXXHYNF-SVFBPWRDSA-N 1 0 451.681 3.175 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC001304925585 1067969074 /nfs/dbraw/zinc/96/90/74/1067969074.db2.gz MJCCYORTTCWTNX-NJDAHSKKSA-N 1 0 499.708 3.157 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCCO3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001304925438 1067969146 /nfs/dbraw/zinc/96/91/46/1067969146.db2.gz DCGVWSSVFPLDSX-XPWALMASSA-N 1 0 476.710 3.292 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001304925954 1067969945 /nfs/dbraw/zinc/96/99/45/1067969945.db2.gz POOHOQVWDXTYDD-FGTMMUONSA-N 1 0 460.026 3.028 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304927046 1067970322 /nfs/dbraw/zinc/97/03/22/1067970322.db2.gz PHUIAXXPJYOUTO-SFTDATJTSA-N 1 0 495.672 3.008 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CCc3ccccc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304926674 1067971160 /nfs/dbraw/zinc/97/11/60/1067971160.db2.gz GTSBHBQRKYWBPN-XJUOHMSHSA-N 1 0 473.687 3.055 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cc4ccccc4o3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001304926830 1067971733 /nfs/dbraw/zinc/97/17/33/1067971733.db2.gz UAGFQQADEJCZRR-OALUTQOASA-N 1 0 488.658 3.045 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001304927000 1067971907 /nfs/dbraw/zinc/97/19/07/1067971907.db2.gz HPLPAJZJTPFPMZ-KDURUIRLSA-N 1 0 456.610 3.078 20 0 JGADRO C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927082 1067972286 /nfs/dbraw/zinc/97/22/86/1067972286.db2.gz INOQGNHSYFNFKG-ZGXWSNOMSA-N 1 0 463.648 3.339 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](Cn3cccn3)C2)C1 ZINC001304927039 1067972336 /nfs/dbraw/zinc/97/23/36/1067972336.db2.gz HZVPGYJPWPORQX-BDTNDASRSA-N 1 0 457.667 3.337 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001304927115 1067972475 /nfs/dbraw/zinc/97/24/75/1067972475.db2.gz IULBSOJNSGKCOS-VSKRKVRLSA-N 1 0 489.709 3.170 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001304927390 1067973351 /nfs/dbraw/zinc/97/33/51/1067973351.db2.gz UVOVRAZCWGRHSL-ZRCGQRJVSA-N 1 0 468.646 3.275 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)CC2)C1 ZINC001304927654 1067973846 /nfs/dbraw/zinc/97/38/46/1067973846.db2.gz XJXSWPRCMAURNU-QZTJIDSGSA-N 1 0 489.462 3.402 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(CCc3ccccc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304928014 1067974709 /nfs/dbraw/zinc/97/47/09/1067974709.db2.gz XXWCPFXXDAYGNG-CQOQZXRMSA-N 1 0 487.714 3.445 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304927884 1067974835 /nfs/dbraw/zinc/97/48/35/1067974835.db2.gz YPOPQAGVLVWYPA-KSZLIROESA-N 1 0 483.082 3.231 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001304928066 1067975168 /nfs/dbraw/zinc/97/51/68/1067975168.db2.gz LWHQLFMSYASCAG-GOTSBHOMSA-N 1 0 483.705 3.179 20 0 JGADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2nccs2)C1 ZINC001304928200 1067975693 /nfs/dbraw/zinc/97/56/93/1067975693.db2.gz UHQKELLPDSQOJC-RTBURBONSA-N 1 0 459.664 3.365 20 0 JGADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2nccs2)C1 ZINC001304928199 1067975754 /nfs/dbraw/zinc/97/57/54/1067975754.db2.gz UHQKELLPDSQOJC-OALUTQOASA-N 1 0 459.664 3.365 20 0 JGADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Nc3ccn(C)n3)nnc2-c2cccc(S(C)(=O)=O)c2)C1 ZINC001304928376 1067976182 /nfs/dbraw/zinc/97/61/82/1067976182.db2.gz NLMAEZZTUQHVPG-HDICACEKSA-N 1 0 471.631 3.194 20 0 JGADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cnn(C)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304928419 1067976253 /nfs/dbraw/zinc/97/62/53/1067976253.db2.gz ZQWWQDOYDMGOHL-FGZHOGPDSA-N 1 0 484.693 3.131 20 0 JGADRO C[C@@H]1C[C@@H](c2ccccc2)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001304929222 1067977526 /nfs/dbraw/zinc/97/75/26/1067977526.db2.gz BAYPDZKBTXBAGR-HLAWJBBLSA-N 1 0 459.660 3.150 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303462401 1067981308 /nfs/dbraw/zinc/98/13/08/1067981308.db2.gz BISGWUNTRWMXKI-LAUBAEHRSA-N 1 0 472.609 3.439 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCSC2)CC1 ZINC001303462406 1067981844 /nfs/dbraw/zinc/98/18/44/1067981844.db2.gz BNGURHFAXIOIPL-CVDCTZTESA-N 1 0 451.681 3.429 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC(=O)N(C)C)CC1 ZINC001303462713 1067982290 /nfs/dbraw/zinc/98/22/90/1067982290.db2.gz IWIDHIVBMLXFFC-UHFFFAOYSA-N 1 0 464.561 3.382 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(N(C)C)c2)CC1 ZINC001303463025 1067982297 /nfs/dbraw/zinc/98/22/97/1067982297.db2.gz MTFCNWWXCHMHFZ-AREMUKBSSA-N 1 0 470.662 3.400 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303463049 1067982305 /nfs/dbraw/zinc/98/23/05/1067982305.db2.gz MVVBQKRTEJUCAE-HHHXNRCGSA-N 1 0 498.672 3.036 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC001303463831 1067983025 /nfs/dbraw/zinc/98/30/25/1067983025.db2.gz ZWCKVPDXOFXRGE-GOSISDBHSA-N 1 0 492.665 3.017 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001303465172 1067983893 /nfs/dbraw/zinc/98/38/93/1067983893.db2.gz DSHBHBKDNVAZRG-UHFFFAOYSA-N 1 0 477.650 3.332 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)N(C)C)CC1 ZINC001303464976 1067983906 /nfs/dbraw/zinc/98/39/06/1067983906.db2.gz KFIOVQKGSVJRGR-UHFFFAOYSA-N 1 0 451.575 3.045 20 0 JGADRO CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001303465074 1067984354 /nfs/dbraw/zinc/98/43/54/1067984354.db2.gz PZLGMXZWVXAONV-UHFFFAOYSA-N 1 0 487.045 3.032 20 0 JGADRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@H]2C)CC1 ZINC001303465388 1067984369 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C[C@H]1CCCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCC2)C1 ZINC001305009925 1068050797 /nfs/dbraw/zinc/05/07/97/1068050797.db2.gz LZSKFGNPLHILTB-VQTJNVASSA-N 1 0 462.639 3.309 20 0 JGADRO CC(C)Oc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC001303523429 1068053374 /nfs/dbraw/zinc/05/33/74/1068053374.db2.gz VZVKERRREQURRS-NRFANRHFSA-N 1 0 469.634 3.016 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(-c2cccn2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305013384 1068053980 /nfs/dbraw/zinc/05/39/80/1068053980.db2.gz HKTBPURTUOYGGF-SFTDATJTSA-N 1 0 476.691 3.342 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N(C)C)CC1 ZINC001305013725 1068054676 /nfs/dbraw/zinc/05/46/76/1068054676.db2.gz LXDAHGUROFHKDB-RBBKRZOGSA-N 1 0 460.667 3.131 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001305013964 1068055237 /nfs/dbraw/zinc/05/52/37/1068055237.db2.gz OKBHLGMGDQHNET-WOJBJXKFSA-N 1 0 486.665 3.294 20 0 JGADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001305013961 1068055292 /nfs/dbraw/zinc/05/52/92/1068055292.db2.gz OKBHLGMGDQHNET-PMACEKPBSA-N 1 0 486.665 3.294 20 0 JGADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)C1 ZINC001305014334 1068055834 /nfs/dbraw/zinc/05/58/34/1068055834.db2.gz RLVFSYDRNIJXBF-ICSRJNTNSA-N 1 0 465.689 3.066 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305015008 1068056561 /nfs/dbraw/zinc/05/65/61/1068056561.db2.gz JDXVVPVHPQGRRK-DENIHFKCSA-N 1 0 477.650 3.286 20 0 JGADRO C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001305014973 1068056681 /nfs/dbraw/zinc/05/66/81/1068056681.db2.gz IUAULBZCHRVGIW-SVFBPWRDSA-N 1 0 475.659 3.348 20 0 JGADRO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001305014972 1068056984 /nfs/dbraw/zinc/05/69/84/1068056984.db2.gz IUAULBZCHRVGIW-SFHLNBCPSA-N 1 0 475.659 3.348 20 0 JGADRO CC(C)OC1CCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001303529762 1068057657 /nfs/dbraw/zinc/05/76/57/1068057657.db2.gz AETPMNRDTAFBKM-JOCHJYFZSA-N 1 0 488.702 3.267 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305015508 1068057970 /nfs/dbraw/zinc/05/79/70/1068057970.db2.gz JUTIEVKBJAKRGW-ROUUACIJSA-N 1 0 466.051 3.486 20 0 JGADRO C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001305015734 1068058501 /nfs/dbraw/zinc/05/85/01/1068058501.db2.gz YNWBJPWIRPZZSW-NJDAHSKKSA-N 1 0 476.691 3.425 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001305015752 1068058745 /nfs/dbraw/zinc/05/87/45/1068058745.db2.gz DYOZMTCAIUEUDV-UXHICEINSA-N 1 0 455.607 3.195 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NC(C)(C)C)C1 ZINC001305016185 1068059374 /nfs/dbraw/zinc/05/93/74/1068059374.db2.gz ZKCLZKJNOAVJHQ-NJYVYQBISA-N 1 0 460.667 3.178 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001303530998 1068060311 /nfs/dbraw/zinc/06/03/11/1068060311.db2.gz JETIPDWITKKCSD-ZEQRLZLVSA-N 1 0 485.673 3.211 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001305017251 1068060949 /nfs/dbraw/zinc/06/09/49/1068060949.db2.gz CORFMQGEEKSYPI-GGAORHGYSA-N 1 0 494.750 3.383 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC001305017846 1068061787 /nfs/dbraw/zinc/06/17/87/1068061787.db2.gz GMONPDNQNKKJIU-ICSRJNTNSA-N 1 0 459.683 3.418 20 0 JGADRO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001305018190 1068062157 /nfs/dbraw/zinc/06/21/57/1068062157.db2.gz SYNHWGJSKCMZBL-UXHICEINSA-N 1 0 484.649 3.445 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305018548 1068063758 /nfs/dbraw/zinc/06/37/58/1068063758.db2.gz HVDNYBCICCYCSN-MOPGFXCFSA-N 1 0 475.037 3.477 20 0 JGADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nnc1C(C)(C)C ZINC001305018543 1068063785 /nfs/dbraw/zinc/06/37/85/1068063785.db2.gz HURVYTBAEOIZQY-LJQANCHMSA-N 1 0 483.661 3.382 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001305018542 1068063840 /nfs/dbraw/zinc/06/38/40/1068063840.db2.gz OCBHBEHCROJZCT-NCXUSEDFSA-N 1 0 491.624 3.469 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001305019255 1068064795 /nfs/dbraw/zinc/06/47/95/1068064795.db2.gz LGNQKPBZCSMKJC-NRFANRHFSA-N 1 0 481.689 3.469 20 0 JGADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001305019256 1068064977 /nfs/dbraw/zinc/06/49/77/1068064977.db2.gz LGNQKPBZCSMKJC-OAQYLSRUSA-N 1 0 481.689 3.469 20 0 JGADRO CC(C)OC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001303536905 1068065836 /nfs/dbraw/zinc/06/58/36/1068065836.db2.gz VMCIMJGMHPHVLL-FCHUYYIVSA-N 1 0 470.643 3.259 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(Nc2cnn(CC3CCC3)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305019883 1068067020 /nfs/dbraw/zinc/06/70/20/1068067020.db2.gz NZDMLEQPEOBRSB-MSOLQXFVSA-N 1 0 492.694 3.139 20 0 JGADRO CC(C)NC(=O)c1nnc(N(C)CCCc2ccccn2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305020170 1068067293 /nfs/dbraw/zinc/06/72/93/1068067293.db2.gz ATJNDNQQWWVLDF-FQEVSTJZSA-N 1 0 455.651 3.391 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(CCCc3ccccc3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001305020660 1068069007 /nfs/dbraw/zinc/06/90/07/1068069007.db2.gz SCNJGGMDYFFIFZ-UNMCSNQZSA-N 1 0 452.647 3.276 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305020788 1068069530 /nfs/dbraw/zinc/06/95/30/1068069530.db2.gz VKAQOIFRUVDUDQ-PZJWPPBQSA-N 1 0 456.610 3.364 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001305021640 1068070781 /nfs/dbraw/zinc/07/07/81/1068070781.db2.gz YTTLJKANWQKAAP-OALUTQOASA-N 1 0 474.600 3.469 20 0 JGADRO C[C@H]1CCCC[N@@H+]1CCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(C)(=O)=O)c1 ZINC001305021545 1068070960 /nfs/dbraw/zinc/07/09/60/1068070960.db2.gz TUAPRTGQPQQKRS-KRWDZBQOSA-N 1 0 457.604 3.090 20 0 JGADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001305021794 1068071930 /nfs/dbraw/zinc/07/19/30/1068071930.db2.gz XMJKGNSDTRJMAD-FPOVZHCZSA-N 1 0 490.693 3.471 20 0 JGADRO CC(C)OCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001303544229 1068072237 /nfs/dbraw/zinc/07/22/37/1068072237.db2.gz AOVJLCLVVCWTQT-UHFFFAOYSA-N 1 0 455.607 3.195 20 0 JGADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022303 1068072877 /nfs/dbraw/zinc/07/28/77/1068072877.db2.gz AUSVKUHRFCVCCZ-GUDVDZBRSA-N 1 0 455.607 3.050 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022465 1068073558 /nfs/dbraw/zinc/07/35/58/1068073558.db2.gz LDTNRCPHOXEYIQ-DHIUTWEWSA-N 1 0 487.737 3.435 20 0 JGADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023384 1068075941 /nfs/dbraw/zinc/07/59/41/1068075941.db2.gz HDVSYOJWHZRHAX-OAGGEKHMSA-N 1 0 493.425 3.279 20 0 JGADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023381 1068076114 /nfs/dbraw/zinc/07/61/14/1068076114.db2.gz GYRWVDSIDOMOOO-XPWALMASSA-N 1 0 473.710 3.045 20 0 JGADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023419 1068076320 /nfs/dbraw/zinc/07/63/20/1068076320.db2.gz HMCJUPQTZCKABN-FYQPLNBISA-N 1 0 472.609 3.379 20 0 JGADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025505 1068080935 /nfs/dbraw/zinc/08/09/35/1068080935.db2.gz RURBNVWIPGUELC-AABGKKOBSA-N 1 0 484.670 3.483 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CC(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025721 1068081389 /nfs/dbraw/zinc/08/13/89/1068081389.db2.gz TXNLPDUWBMSJGY-KZNAEPCWSA-N 1 0 460.026 3.206 20 0 JGADRO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025770 1068081580 /nfs/dbraw/zinc/08/15/80/1068081580.db2.gz UOKKBLHZJJXAMO-SJORKVTESA-N 1 0 452.525 3.354 20 0 JGADRO CC(C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305026371 1068082017 /nfs/dbraw/zinc/08/20/17/1068082017.db2.gz WPDSAWCKUHETDH-AABGKKOBSA-N 1 0 464.655 3.252 20 0 JGADRO CC(C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305026374 1068082108 /nfs/dbraw/zinc/08/21/08/1068082108.db2.gz WPDSAWCKUHETDH-VAMGGRTRSA-N 1 0 464.655 3.252 20 0 JGADRO CC(C)OCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303558107 1068083343 /nfs/dbraw/zinc/08/33/43/1068083343.db2.gz PVXVKMICFHUSIB-FQEVSTJZSA-N 1 0 478.435 3.434 20 0 JGADRO CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305027007 1068083795 /nfs/dbraw/zinc/08/37/95/1068083795.db2.gz YYORBEARICPQRP-MSOLQXFVSA-N 1 0 459.664 3.377 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305027184 1068083920 /nfs/dbraw/zinc/08/39/20/1068083920.db2.gz TVOBGPVKMZFQOR-ZIFCJYIRSA-N 1 0 481.613 3.215 20 0 JGADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028406 1068084960 /nfs/dbraw/zinc/08/49/60/1068084960.db2.gz FZFQJRNGGSMFNL-RTWAWAEBSA-N 1 0 452.647 3.276 20 0 JGADRO C[C@H](Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCCS(C)(=O)=O)[N@@H+]1CCC[C@H](C)C1 ZINC001305028718 1068086568 /nfs/dbraw/zinc/08/65/68/1068086568.db2.gz JCJKKEAEEFGXOT-LEWJYISDSA-N 1 0 486.686 3.272 20 0 JGADRO C[C@H](Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)nnc1C(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC001305028824 1068087389 /nfs/dbraw/zinc/08/73/89/1068087389.db2.gz KVFFLCCYKTUIRH-FCHUYYIVSA-N 1 0 487.737 3.267 20 0 JGADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305029819 1068087716 /nfs/dbraw/zinc/08/77/16/1068087716.db2.gz RMNYDAHWXGCCSR-KURKYZTESA-N 1 0 462.689 3.332 20 0 JGADRO C[C@H](Cn1c(CCc2ccccc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001305029926 1068088053 /nfs/dbraw/zinc/08/80/53/1068088053.db2.gz TWSJMFSMDFYDRD-GXRSIYKFSA-N 1 0 475.703 3.442 20 0 JGADRO CC(C)OCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001303566403 1068088508 /nfs/dbraw/zinc/08/85/08/1068088508.db2.gz AOXOOOWAHBMOKB-PMACEKPBSA-N 1 0 462.639 3.450 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001305033869 1068090494 /nfs/dbraw/zinc/09/04/94/1068090494.db2.gz JRIHFNDJHLBJEA-PMACEKPBSA-N 1 0 454.685 3.171 20 0 JGADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCc2cccc(F)c2)CC1 ZINC001303569470 1068091695 /nfs/dbraw/zinc/09/16/95/1068091695.db2.gz AALMZIVXOODXHL-UHFFFAOYSA-N 1 0 453.566 3.054 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305036745 1068092671 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ZINC001305112552 1068187490 /nfs/dbraw/zinc/18/74/90/1068187490.db2.gz MIBGPEUSERWZES-QRVBRYPASA-N 1 0 461.582 3.109 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3CCO[C@@H](c4nccs4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112932 1068188623 /nfs/dbraw/zinc/18/86/23/1068188623.db2.gz QRZSAMDXNXZBLT-FGTMMUONSA-N 1 0 462.664 3.498 20 0 JGADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N2C[C@H](C)S[C@@H](C)C2)C[C@H](C)O1 ZINC001305113067 1068188718 /nfs/dbraw/zinc/18/87/18/1068188718.db2.gz RBXHNYAYHIIHDM-YRPNKDGESA-N 1 0 458.676 3.482 20 0 JGADRO C[C@H]1CN(C)C(=O)CN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001305113623 1068189969 /nfs/dbraw/zinc/18/99/69/1068189969.db2.gz BKLFKQYXHGOWDI-JXFKEZNVSA-N 1 0 456.591 3.039 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(F)(F)F)CC2)C[C@@H](C)O1 ZINC001305114074 1068191257 /nfs/dbraw/zinc/19/12/57/1068191257.db2.gz XHYIFGXXFZCQFC-BRWVUGGUSA-N 1 0 459.557 3.449 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@@H](C)O1 ZINC001305114258 1068191304 /nfs/dbraw/zinc/19/13/04/1068191304.db2.gz RAMRJLGBUUTGCG-IAGOWNOFSA-N 1 0 473.025 3.251 20 0 JGADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCOC3)C2)C[C@@H](C)O1 ZINC001305114454 1068192535 /nfs/dbraw/zinc/19/25/35/1068192535.db2.gz YFGXXDNEHRUKLQ-PUFAWVJESA-N 1 0 463.667 3.139 20 0 JGADRO C[C@@H](CCn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)CC1)[NH+]1CCCCC1 ZINC001303661977 1068192853 /nfs/dbraw/zinc/19/28/53/1068192853.db2.gz BVUFEWRKZPOGMQ-KRWDZBQOSA-N 1 0 475.435 3.298 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305115290 1068194111 /nfs/dbraw/zinc/19/41/11/1068194111.db2.gz KEQLHUMQLMXPFH-VQIMIIECSA-N 1 0 460.026 3.171 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305115899 1068195072 /nfs/dbraw/zinc/19/50/72/1068195072.db2.gz AAELFKSGHUGURS-APWZRJJASA-N 1 0 472.590 3.028 20 0 JGADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCCCCC1 ZINC001303663926 1068196200 /nfs/dbraw/zinc/19/62/00/1068196200.db2.gz QEJQSXBFQFNOQQ-KNQAVFIVSA-N 1 0 454.619 3.268 20 0 JGADRO C[C@@H](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCCCC1 ZINC001303664255 1068196717 /nfs/dbraw/zinc/19/67/17/1068196717.db2.gz SXTSGGGLTLADGS-ZWKOTPCHSA-N 1 0 476.572 3.478 20 0 JGADRO C[C@H](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303665870 1068199392 /nfs/dbraw/zinc/19/93/92/1068199392.db2.gz GSQIEGARRBZFGH-DENIHFKCSA-N 1 0 493.649 3.274 20 0 JGADRO C[C@H](CCn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCCCC1 ZINC001303666358 1068200033 /nfs/dbraw/zinc/20/00/33/1068200033.db2.gz CQDGQQMLOBAZEA-HXUWFJFHSA-N 1 0 461.614 3.264 20 0 JGADRO C[C@@H](CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC001303666328 1068200114 /nfs/dbraw/zinc/20/01/14/1068200114.db2.gz CLEKDUAGSTZXFF-HKUYNNGSSA-N 1 0 452.525 3.296 20 0 JGADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC(C)(C)O1 ZINC001305119479 1068200715 /nfs/dbraw/zinc/20/07/15/1068200715.db2.gz CGLWJEBLPMGRKC-PXNSSMCTSA-N 1 0 481.576 3.371 20 0 JGADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001305120723 1068202548 /nfs/dbraw/zinc/20/25/48/1068202548.db2.gz GBCAFRQQQPRVDJ-PIBIMKELSA-N 1 0 486.636 3.306 20 0 JGADRO C[C@@H](CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1)[NH+]1CCCCC1 ZINC001303668594 1068203275 /nfs/dbraw/zinc/20/32/75/1068203275.db2.gz NXJMKLZNWYOXOE-UGKGYDQZSA-N 1 0 454.619 3.172 20 0 JGADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001305121778 1068204618 /nfs/dbraw/zinc/20/46/18/1068204618.db2.gz JIVYCOAQVFTXGY-AZUAARDMSA-N 1 0 475.037 3.207 20 0 JGADRO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001303672287 1068207504 /nfs/dbraw/zinc/20/75/04/1068207504.db2.gz PWSCDCZXLHBWFX-UXHICEINSA-N 1 0 484.649 3.303 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC001305123493 1068207847 /nfs/dbraw/zinc/20/78/47/1068207847.db2.gz FUIGFWWQQRVUGJ-LJQANCHMSA-N 1 0 495.653 3.050 20 0 JGADRO C[C@@H](CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001303672589 1068208481 /nfs/dbraw/zinc/20/84/81/1068208481.db2.gz CCWBBOQQOAJCQX-VQTJNVASSA-N 1 0 476.691 3.250 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)c2ccccc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303672591 1068208537 /nfs/dbraw/zinc/20/85/37/1068208537.db2.gz CCWBBOQQOAJCQX-WOJBJXKFSA-N 1 0 476.691 3.250 20 0 JGADRO C[C@H](CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC001303672585 1068208578 /nfs/dbraw/zinc/20/85/78/1068208578.db2.gz CCWBBOQQOAJCQX-UXHICEINSA-N 1 0 476.691 3.250 20 0 JGADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001305124413 1068210507 /nfs/dbraw/zinc/21/05/07/1068210507.db2.gz ZKKZYRAAQOVLRT-WOJBJXKFSA-N 1 0 463.586 3.061 20 0 JGADRO C[C@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)C1CCCC1)c1nccs1 ZINC001303674780 1068212927 /nfs/dbraw/zinc/21/29/27/1068212927.db2.gz PPFYUHJAZHRGGG-QGZVFWFLSA-N 1 0 468.631 3.496 20 0 JGADRO C[C@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCCC1)c1nccs1 ZINC001303675855 1068214310 /nfs/dbraw/zinc/21/43/10/1068214310.db2.gz UQOSLVKIWGLNNK-QGZVFWFLSA-N 1 0 454.604 3.108 20 0 JGADRO C[C@@H](CN(C)c1nnc(-c2ccccn2)n1CC1CC[NH+](CCN(C)C)CC1)c1nccs1 ZINC001303675530 1068214488 /nfs/dbraw/zinc/21/44/88/1068214488.db2.gz XRFKVXSVLDDQJR-IBGZPJMESA-N 1 0 468.675 3.310 20 0 JGADRO C[C@@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1([NH+](C)C)CCSC1)c1nccs1 ZINC001303676533 1068214862 /nfs/dbraw/zinc/21/48/62/1068214862.db2.gz ZBAKUKHPXCGPOV-AOMKIAJQSA-N 1 0 486.671 3.059 20 0 JGADRO CC(C)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001305129838 1068215027 /nfs/dbraw/zinc/21/50/27/1068215027.db2.gz PWIDFSBOUOTMKU-LVXARBLLSA-N 1 0 471.646 3.359 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001305131134 1068215993 /nfs/dbraw/zinc/21/59/93/1068215993.db2.gz AGFSHIBJGUICSF-ROUUACIJSA-N 1 0 454.685 3.025 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H](C)S1 ZINC001305133142 1068219345 /nfs/dbraw/zinc/21/93/45/1068219345.db2.gz LMTOJFKMMHAPQW-SXGZJXTBSA-N 1 0 466.449 3.104 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCC2)CC(C)(C)O1 ZINC001305133191 1068219395 /nfs/dbraw/zinc/21/93/95/1068219395.db2.gz MBZJWLAHYSQANA-OAHLLOKOSA-N 1 0 451.413 3.146 20 0 JGADRO CC(C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCS(=O)(=O)Cc1ccccc1 ZINC001305133171 1068219471 /nfs/dbraw/zinc/21/94/71/1068219471.db2.gz JPAYTZBNXUNBIS-FQEVSTJZSA-N 1 0 459.660 3.327 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001305134508 1068222009 /nfs/dbraw/zinc/22/20/09/1068222009.db2.gz AYOOCOSVPBYZGW-HUUCEWRRSA-N 1 0 451.413 3.239 20 0 JGADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)(C)C)CC1)Oc1ccc(F)cc1 ZINC001303683950 1068222130 /nfs/dbraw/zinc/22/21/30/1068222130.db2.gz HLPRTIRWQTXHEX-SFHVURJKSA-N 1 0 481.576 3.453 20 0 JGADRO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCCC[NH+]2CCOCC2)CCOC1 ZINC001305135621 1068224117 /nfs/dbraw/zinc/22/41/17/1068224117.db2.gz HXRRPOFJFVGRED-SQJMNOBHSA-N 1 0 463.667 3.304 20 0 JGADRO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC001303687380 1068225260 /nfs/dbraw/zinc/22/52/60/1068225260.db2.gz JZGOYPRXZWATKY-ZWKOTPCHSA-N 1 0 480.654 3.142 20 0 JGADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(OC(F)F)c1)[NH+](C)C ZINC001303687697 1068225676 /nfs/dbraw/zinc/22/56/76/1068225676.db2.gz WANJYKJRTPFPSC-HNNXBMFYSA-N 1 0 459.501 3.113 20 0 JGADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCCO[C@H](C)C1 ZINC001305136723 1068226944 /nfs/dbraw/zinc/22/69/44/1068226944.db2.gz XIVZJGVXSFSMAQ-JKSUJKDBSA-N 1 0 451.413 3.146 20 0 JGADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1)[N@H+](C)Cc1ccccc1 ZINC001303688469 1068227105 /nfs/dbraw/zinc/22/71/05/1068227105.db2.gz ZDWMYJDISLTKLH-NRFANRHFSA-N 1 0 468.646 3.024 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H](C)O1 ZINC001305137644 1068228870 /nfs/dbraw/zinc/22/88/70/1068228870.db2.gz NSVHKOSZUYAESE-IAGOWNOFSA-N 1 0 465.545 3.271 20 0 JGADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(CCC(N)=O)CC1)[NH+](C)C ZINC001303691286 1068230726 /nfs/dbraw/zinc/23/07/26/1068230726.db2.gz CMENISNARDKKDQ-OAHLLOKOSA-N 1 0 463.424 3.140 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CCS1 ZINC001305139036 1068232400 /nfs/dbraw/zinc/23/24/00/1068232400.db2.gz RWKKFRIXKLFTAU-UGSOOPFHSA-N 1 0 471.494 3.415 20 0 JGADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC001305140214 1068234007 /nfs/dbraw/zinc/23/40/07/1068234007.db2.gz YZIJMSPVEUAISB-ZCNNSNEGSA-N 1 0 474.675 3.003 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001303693146 1068235199 /nfs/dbraw/zinc/23/51/99/1068235199.db2.gz COKMYEOMFWYIKJ-PMACEKPBSA-N 1 0 490.718 3.301 20 0 JGADRO C[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001303693147 1068235250 /nfs/dbraw/zinc/23/52/50/1068235250.db2.gz COKMYEOMFWYIKJ-UXHICEINSA-N 1 0 490.718 3.301 20 0 JGADRO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(F)F)C1)[N@H+](C)C1CC1 ZINC001303694502 1068237266 /nfs/dbraw/zinc/23/72/66/1068237266.db2.gz FEFCEFBRAVCLDW-AEFFLSMTSA-N 1 0 496.628 3.160 20 0 JGADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H](C2CC2)[NH+](C)C)CC(=O)N1C ZINC001305141855 1068237973 /nfs/dbraw/zinc/23/79/73/1068237973.db2.gz JNSKYMYQNCPBLO-FZKQIMNGSA-N 1 0 495.853 3.368 20 0 JGADRO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CCCCC1)[NH+](C)C ZINC001303695316 1068238423 /nfs/dbraw/zinc/23/84/23/1068238423.db2.gz IAVIOFJEXQYXRW-GOSISDBHSA-N 1 0 462.664 3.162 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)c2ccco2)CC1)[NH+](C)C ZINC001303695723 1068238988 /nfs/dbraw/zinc/23/89/88/1068238988.db2.gz WCLAMRQAYODFDW-OAHLLOKOSA-N 1 0 460.941 3.243 20 0 JGADRO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[NH+](C)C ZINC001303696213 1068239716 /nfs/dbraw/zinc/23/97/16/1068239716.db2.gz MSTALUPFWBSDPG-ZIAGYGMSSA-N 1 0 481.464 3.214 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCC(O)CC2)CCCO1 ZINC001305142443 1068239756 /nfs/dbraw/zinc/23/97/56/1068239756.db2.gz JINKCYCALBKSMI-HNNXBMFYSA-N 1 0 484.464 3.231 20 0 JGADRO C[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+](C)C ZINC001303697551 1068240679 /nfs/dbraw/zinc/24/06/79/1068240679.db2.gz YHTMIGMSBSRPHW-INIZCTEOSA-N 1 0 465.689 3.239 20 0 JGADRO C[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[NH+](C)C ZINC001303697917 1068241505 /nfs/dbraw/zinc/24/15/05/1068241505.db2.gz ARBBAZVIADFIPL-SFHVURJKSA-N 1 0 464.618 3.074 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001303699321 1068241935 /nfs/dbraw/zinc/24/19/35/1068241935.db2.gz IAMSSJUDZXOORW-SJORKVTESA-N 1 0 472.435 3.460 20 0 JGADRO C[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC001303700326 1068243093 /nfs/dbraw/zinc/24/30/93/1068243093.db2.gz DIYVCHRLLOWJCH-QZTJIDSGSA-N 1 0 455.607 3.174 20 0 JGADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+](C)C ZINC001305144158 1068243843 /nfs/dbraw/zinc/24/38/43/1068243843.db2.gz YRRBCAPDGOPSOX-GSHUGGBRSA-N 1 0 478.435 3.432 20 0 JGADRO C[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303701428 1068245129 /nfs/dbraw/zinc/24/51/29/1068245129.db2.gz YGUDEAGUUUWCSA-ZWKOTPCHSA-N 1 0 486.617 3.365 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2)[NH+](C)C ZINC001303701832 1068245882 /nfs/dbraw/zinc/24/58/82/1068245882.db2.gz WNEVLUCKFWMDNB-CQSZACIVSA-N 1 0 462.501 3.200 20 0 JGADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303702667 1068246268 /nfs/dbraw/zinc/24/62/68/1068246268.db2.gz BCKPVYULPXYZPY-GOSISDBHSA-N 1 0 459.639 3.317 20 0 JGADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001303702668 1068246333 /nfs/dbraw/zinc/24/63/33/1068246333.db2.gz BCKPVYULPXYZPY-SFHVURJKSA-N 1 0 459.639 3.317 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC(=O)N1C ZINC001305146613 1068247663 /nfs/dbraw/zinc/24/76/63/1068247663.db2.gz NYQZYOYIQWZPFF-SFHVURJKSA-N 1 0 498.031 3.039 20 0 JGADRO CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)C(C)C ZINC001305146706 1068248221 /nfs/dbraw/zinc/24/82/21/1068248221.db2.gz PMVDYHCFFLXVPT-PZJWPPBQSA-N 1 0 476.069 3.269 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C[NH+](C)C)C[C@@]2(CCCOC2)O1 ZINC001305148130 1068250595 /nfs/dbraw/zinc/25/05/95/1068250595.db2.gz WBHLWULXXXDXAV-GAJHUEQPSA-N 1 0 463.026 3.356 20 0 JGADRO C[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303706365 1068250641 /nfs/dbraw/zinc/25/06/41/1068250641.db2.gz ZINJLUUGXXWQCK-QZTJIDSGSA-N 1 0 467.618 3.490 20 0 JGADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303706246 1068250734 /nfs/dbraw/zinc/25/07/34/1068250734.db2.gz WTALZPZLWDSVCG-KRWDZBQOSA-N 1 0 457.623 3.497 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303706709 1068251809 /nfs/dbraw/zinc/25/18/09/1068251809.db2.gz DVMFHYZXFPNQAJ-ICSRJNTNSA-N 1 0 480.617 3.184 20 0 JGADRO CC(C)n1nc(-c2nnc(N3CCC(F)(F)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303706859 1068251878 /nfs/dbraw/zinc/25/18/78/1068251878.db2.gz CMNZIWDWOIQNAX-MRXNPFEDSA-N 1 0 459.545 3.422 20 0 JGADRO C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303706708 1068251918 /nfs/dbraw/zinc/25/19/18/1068251918.db2.gz DVMFHYZXFPNQAJ-AZUAARDMSA-N 1 0 480.617 3.184 20 0 JGADRO CC(C)n1nc(-c2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303707213 1068252409 /nfs/dbraw/zinc/25/24/09/1068252409.db2.gz GUJHVCCGOULSGS-IAGOWNOFSA-N 1 0 455.632 3.128 20 0 JGADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)N(C)C(=O)OC(C)(C)C ZINC001303707946 1068253854 /nfs/dbraw/zinc/25/38/54/1068253854.db2.gz KMIAXCRCXKAVRW-RBUKOAKNSA-N 1 0 470.622 3.055 20 0 JGADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001303708392 1068253961 /nfs/dbraw/zinc/25/39/61/1068253961.db2.gz PDUPFEFRLREVSG-DENIHFKCSA-N 1 0 494.644 3.303 20 0 JGADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCCC2)CC(=O)N1C ZINC001305149582 1068253785 /nfs/dbraw/zinc/25/37/85/1068253785.db2.gz WCGDLTLZUZOKOU-HNNXBMFYSA-N 1 0 451.402 3.405 20 0 JGADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303716213 1068263822 /nfs/dbraw/zinc/26/38/22/1068263822.db2.gz DPKJACBRQULFPA-RBUKOAKNSA-N 1 0 476.666 3.491 20 0 JGADRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)C[C@@H]1CCCCO1)[NH+](C)C ZINC001303720226 1068269219 /nfs/dbraw/zinc/26/92/19/1068269219.db2.gz XTAYONGJMLVKJV-AABGKKOBSA-N 1 0 464.655 3.348 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305164311 1068273660 /nfs/dbraw/zinc/27/36/60/1068273660.db2.gz UGIXWWBVFPSWRM-AZUAARDMSA-N 1 0 486.665 3.293 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001305164627 1068274298 /nfs/dbraw/zinc/27/42/98/1068274298.db2.gz IOIOVPDXCMEUDT-SVFBPWRDSA-N 1 0 484.649 3.205 20 0 JGADRO CC(C)n1nc(-c2nnc(N3CCCO[C@H](C)C3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001305164738 1068274734 /nfs/dbraw/zinc/27/47/34/1068274734.db2.gz JPLHKFIZKLHJCS-LJQANCHMSA-N 1 0 467.618 3.191 20 0 JGADRO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001303724079 1068274928 /nfs/dbraw/zinc/27/49/28/1068274928.db2.gz WQISOVVXUJNJII-RBBKRZOGSA-N 1 0 489.686 3.204 20 0 JGADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)CCN1CC(F)(F)F ZINC001305165773 1068276580 /nfs/dbraw/zinc/27/65/80/1068276580.db2.gz QZSNCHQRFZOOIF-KRWDZBQOSA-N 1 0 492.525 3.079 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001305166992 1068277876 /nfs/dbraw/zinc/27/78/76/1068277876.db2.gz JCODWPCCMTZHRV-CRAIPNDOSA-N 1 0 493.534 3.480 20 0 JGADRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@H+](C)C1CC1 ZINC001303726546 1068279365 /nfs/dbraw/zinc/27/93/65/1068279365.db2.gz FRVBQVGFYCRZNJ-UTKZUKDTSA-N 1 0 480.078 3.409 20 0 JGADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001303726620 1068279420 /nfs/dbraw/zinc/27/94/20/1068279420.db2.gz GKXNHKDJTUHLOR-QZTJIDSGSA-N 1 0 460.598 3.404 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001303727501 1068281179 /nfs/dbraw/zinc/28/11/79/1068281179.db2.gz FOJOUSOQMMINGP-OALUTQOASA-N 1 0 469.634 3.192 20 0 JGADRO C[C@H]1CN(c2nnc(C3CCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305170902 1068282720 /nfs/dbraw/zinc/28/27/20/1068282720.db2.gz PMHDOXRUSPLQEH-IBGZPJMESA-N 1 0 475.682 3.017 20 0 JGADRO C[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001303728788 1068283405 /nfs/dbraw/zinc/28/34/05/1068283405.db2.gz QCOTZOOMWOWTPF-KOSHJBKYSA-N 1 0 455.006 3.051 20 0 JGADRO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC001303729316 1068284671 /nfs/dbraw/zinc/28/46/71/1068284671.db2.gz UGKRBMGHELPFPS-MHECFPHRSA-N 1 0 452.578 3.303 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[N@H+](C)C1CC1 ZINC001303731224 1068285951 /nfs/dbraw/zinc/28/59/51/1068285951.db2.gz IUPSPCQDSLXNNJ-ZUQCGGBESA-N 1 0 452.628 3.120 20 0 JGADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[N@H+](C)C1CC1 ZINC001303731221 1068285987 /nfs/dbraw/zinc/28/59/87/1068285987.db2.gz IUPSPCQDSLXNNJ-CVCYQNGTSA-N 1 0 452.628 3.120 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1)C(C)C ZINC001305175001 1068287409 /nfs/dbraw/zinc/28/74/09/1068287409.db2.gz LCBOWHOJVVWGRD-HJNYFJLDSA-N 1 0 454.619 3.314 20 0 JGADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(O)(c2ccccc2Cl)CC1)[NH+](C)C ZINC001303733023 1068288747 /nfs/dbraw/zinc/28/87/47/1068288747.db2.gz ZWMZOPDLKISZMQ-SFHVURJKSA-N 1 0 455.006 3.355 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305177272 1068290838 /nfs/dbraw/zinc/29/08/38/1068290838.db2.gz DWSSQWPTFSPTQX-ZRNYENFQSA-N 1 0 488.633 3.417 20 0 JGADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303734667 1068291331 /nfs/dbraw/zinc/29/13/31/1068291331.db2.gz MMHGGSBUIMPCAU-UXHICEINSA-N 1 0 472.634 3.201 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001305177479 1068291646 /nfs/dbraw/zinc/29/16/46/1068291646.db2.gz GQAZZUPOSMFMNU-LFGUQSLTSA-N 1 0 490.674 3.496 20 0 JGADRO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001303734970 1068291777 /nfs/dbraw/zinc/29/17/77/1068291777.db2.gz SRQZQSBCAOFUPG-HSZRJFAPSA-N 1 0 468.690 3.485 20 0 JGADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1)[NH+](C)C ZINC001303735679 1068293427 /nfs/dbraw/zinc/29/34/27/1068293427.db2.gz GJZZLZAGCBBAOS-VQIMIIECSA-N 1 0 489.045 3.451 20 0 JGADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(OCC(C)(C)F)ccc2C1)[NH+](C)C ZINC001303736334 1068294480 /nfs/dbraw/zinc/29/44/80/1068294480.db2.gz KXORYHKYFHFXEG-GOSISDBHSA-N 1 0 472.609 3.040 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC(C)(C)O1 ZINC001305179482 1068295246 /nfs/dbraw/zinc/29/52/46/1068295246.db2.gz ODSFTXWJDPZSOG-TZIWHRDSSA-N 1 0 457.619 3.165 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccco2)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001305180113 1068296387 /nfs/dbraw/zinc/29/63/87/1068296387.db2.gz POLJIZTWJCAJPH-GUDVDZBRSA-N 1 0 474.606 3.124 20 0 JGADRO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001303738807 1068298676 /nfs/dbraw/zinc/29/86/76/1068298676.db2.gz VSNMCOKMTAIBCK-GOSISDBHSA-N 1 0 475.037 3.442 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001303739026 1068298748 /nfs/dbraw/zinc/29/87/48/1068298748.db2.gz WUGISRKQLGFKLD-IBGZPJMESA-N 1 0 472.609 3.175 20 0 JGADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+](C)C ZINC001303739305 1068300323 /nfs/dbraw/zinc/30/03/23/1068300323.db2.gz YIDNCLIGHQWPAP-JKSUJKDBSA-N 1 0 458.504 3.019 20 0 JGADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@H+](C)Cc2ccccc2)CCN1CC(F)(F)F ZINC001305182690 1068300542 /nfs/dbraw/zinc/30/05/42/1068300542.db2.gz LLBPAOWXRMFJEH-TZIWHRDSSA-N 1 0 480.579 3.377 20 0 JGADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccn1)C[NH+]1CCCC1 ZINC001303743366 1068302498 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ZINC001303744378 1068304931 /nfs/dbraw/zinc/30/49/31/1068304931.db2.gz HXFYUTSDKXLUMX-RTBURBONSA-N 1 0 457.623 3.451 20 0 JGADRO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1)C[NH+]1CCCC1 ZINC001303744587 1068305081 /nfs/dbraw/zinc/30/50/81/1068305081.db2.gz DIABPFKDOCPNAD-GOSISDBHSA-N 1 0 477.700 3.412 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001305186918 1068305675 /nfs/dbraw/zinc/30/56/75/1068305675.db2.gz SDOXMEUGMHEQFI-VQTJNVASSA-N 1 0 492.709 3.451 20 0 JGADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C[NH+]1CCCC1 ZINC001303746608 1068307318 /nfs/dbraw/zinc/30/73/18/1068307318.db2.gz MQZQLRZWDLMUSE-IRXDYDNUSA-N 1 0 482.526 3.321 20 0 JGADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc2ccccc2o1)C[NH+]1CCCC1 ZINC001303747449 1068308597 /nfs/dbraw/zinc/30/85/97/1068308597.db2.gz QWMMIGNXJHZKEK-MSOLQXFVSA-N 1 0 474.631 3.003 20 0 JGADRO C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1)C[NH+]1CCCC1 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/nfs/dbraw/zinc/36/84/14/1068368414.db2.gz SVNOFZNDNYPRSH-CEXWTWQISA-N 1 0 462.639 3.496 20 0 JGADRO C[C@H](N1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C[NH+](C)C)CC1)C(F)(F)F ZINC001303788253 1068370220 /nfs/dbraw/zinc/37/02/20/1068370220.db2.gz LAECJCURFNKNMK-KRWDZBQOSA-N 1 0 496.578 3.377 20 0 JGADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCOCCCO ZINC001305226362 1068370702 /nfs/dbraw/zinc/37/07/02/1068370702.db2.gz YUKSEWNFOZIOKC-UNMCSNQZSA-N 1 0 471.646 3.227 20 0 JGADRO C[C@H]1COCCN1c1nnc(-c2cccc(Br)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305226469 1068370745 /nfs/dbraw/zinc/37/07/45/1068370745.db2.gz ALXVRCXUKJWWDA-SFHVURJKSA-N 1 0 491.478 3.206 20 0 JGADRO C[C@@H](N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001303789547 1068372850 /nfs/dbraw/zinc/37/28/50/1068372850.db2.gz VWNZWUAOFOPUAQ-LJQANCHMSA-N 1 0 490.578 3.274 20 0 JGADRO C[C@@H](N1CCN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCCC2)CC1)C(F)(F)F ZINC001303791842 1068375011 /nfs/dbraw/zinc/37/50/11/1068375011.db2.gz AASPJTOYGDHIPN-QGZVFWFLSA-N 1 0 470.515 3.165 20 0 JGADRO C[C@H]1COCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001305230299 1068375683 /nfs/dbraw/zinc/37/56/83/1068375683.db2.gz SGYDDWRVPSNNPF-PMACEKPBSA-N 1 0 496.578 3.028 20 0 JGADRO C[C@@H](N1CCN(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303792151 1068375692 /nfs/dbraw/zinc/37/56/92/1068375692.db2.gz CXVQIXQUIHRERF-HXUWFJFHSA-N 1 0 480.579 3.458 20 0 JGADRO CC(C)[NH+]1CCC(O)(Cn2c(C3CC3)nnc2N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001303796198 1068384495 /nfs/dbraw/zinc/38/44/95/1068384495.db2.gz IDYFXOBSEGTFPV-QUCCMNQESA-N 1 0 476.666 3.130 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2ccccn2)nnc1N(C)CCN1CCOCC1)c1ccccc1 ZINC001303797079 1068386942 /nfs/dbraw/zinc/38/69/42/1068386942.db2.gz KPSDSHNWCJPTMW-OAQYLSRUSA-N 1 0 463.630 3.238 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCOCC[NH+](C)C)C1 ZINC001303797409 1068387396 /nfs/dbraw/zinc/38/73/96/1068387396.db2.gz KVTSMERBYUNUMU-AZUAARDMSA-N 1 0 464.655 3.253 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001303797792 1068388521 /nfs/dbraw/zinc/38/85/21/1068388521.db2.gz NRNKRGZSXYFMQW-IRXDYDNUSA-N 1 0 484.617 3.253 20 0 JGADRO CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC001303798380 1068389901 /nfs/dbraw/zinc/38/99/01/1068389901.db2.gz ANSBBSWFXNOYBP-OOADCZFESA-N 1 0 451.567 3.137 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC001303799103 1068391893 /nfs/dbraw/zinc/39/18/93/1068391893.db2.gz RYVBRIGQLWYNSR-IBGZPJMESA-N 1 0 499.685 3.263 20 0 JGADRO C[C@@H]1N(c2nnc(Cc3ccncc3)n2Cc2cccc(OCC[NH+](C)C)c2)CCOC1(C)C ZINC001305241848 1068392192 /nfs/dbraw/zinc/39/21/92/1068392192.db2.gz GFYSYJKKSJISFC-FQEVSTJZSA-N 1 0 464.614 3.256 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCCC2)C1 ZINC001303799427 1068392117 /nfs/dbraw/zinc/39/21/17/1068392117.db2.gz SYCAQBDXHNQEJS-IFMALSPDSA-N 1 0 483.661 3.489 20 0 JGADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCCC2)C1 ZINC001303799428 1068392215 /nfs/dbraw/zinc/39/22/15/1068392215.db2.gz SYCAQBDXHNQEJS-IRLDBZIGSA-N 1 0 483.661 3.489 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCCC2)C1 ZINC001303799429 1068392461 /nfs/dbraw/zinc/39/24/61/1068392461.db2.gz SYCAQBDXHNQEJS-RBBKRZOGSA-N 1 0 483.661 3.489 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC001303800270 1068393631 /nfs/dbraw/zinc/39/36/31/1068393631.db2.gz WPNMTXXHKSXXBY-MJGOQNOKSA-N 1 0 456.616 3.026 20 0 JGADRO C[C@H]1N(c2nnc(Cc3ccccn3)n2Cc2cccc(OCC[NH+](C)C)c2)CCOC1(C)C ZINC001305242791 1068393667 /nfs/dbraw/zinc/39/36/67/1068393667.db2.gz KOOGHMZOEWRVMO-HXUWFJFHSA-N 1 0 464.614 3.256 20 0 JGADRO CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001303800493 1068395188 /nfs/dbraw/zinc/39/51/88/1068395188.db2.gz YUQYWJJZGQLQFU-RTBURBONSA-N 1 0 472.638 3.205 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001303800597 1068395453 /nfs/dbraw/zinc/39/54/53/1068395453.db2.gz ZFUVOMDWGNOVOP-ZWKOTPCHSA-N 1 0 472.638 3.062 20 0 JGADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001303800593 1068395488 /nfs/dbraw/zinc/39/54/88/1068395488.db2.gz ZFUVOMDWGNOVOP-ROUUACIJSA-N 1 0 472.638 3.062 20 0 JGADRO CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)c2)cc1 ZINC001303802371 1068399240 /nfs/dbraw/zinc/39/92/40/1068399240.db2.gz VLGNDXNAVFINMU-VBKZILBWSA-N 1 0 451.976 3.362 20 0 JGADRO C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305246129 1068399316 /nfs/dbraw/zinc/39/93/16/1068399316.db2.gz QSSZVICCBHSADA-QRQCRPRQSA-N 1 0 451.974 3.198 20 0 JGADRO C[C@H](c1ccccc1F)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1 ZINC001303803251 1068401845 /nfs/dbraw/zinc/40/18/45/1068401845.db2.gz KTLLBVHSTDSTPR-DLBZAZTESA-N 1 0 478.638 3.099 20 0 JGADRO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303803394 1068402466 /nfs/dbraw/zinc/40/24/66/1068402466.db2.gz MYPVZNZXEALOQA-ZWKOTPCHSA-N 1 0 480.654 3.489 20 0 JGADRO C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305248197 1068404529 /nfs/dbraw/zinc/40/45/29/1068404529.db2.gz BHUVDPGGYAIIRH-UQBPGWFLSA-N 1 0 475.609 3.094 20 0 JGADRO C[C@@H]([NH2+]C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccccc1 ZINC001303804986 1068406766 /nfs/dbraw/zinc/40/67/66/1068406766.db2.gz WXKHPVKSTDAMNB-IFMALSPDSA-N 1 0 475.641 3.485 20 0 JGADRO C[C@H]1OCC[C@@]1(O)Cn1c(CCCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305249562 1068407922 /nfs/dbraw/zinc/40/79/22/1068407922.db2.gz KDJHOKUDXVZTNU-QFQXNSOFSA-N 1 0 455.647 3.304 20 0 JGADRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001303805236 1068408042 /nfs/dbraw/zinc/40/80/42/1068408042.db2.gz YFCLCBJXDYWNGY-CGTJXYLNSA-N 1 0 480.535 3.126 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2CCCCC2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001303805594 1068408799 /nfs/dbraw/zinc/40/87/99/1068408799.db2.gz FYBUYEXHIHBGBM-PKOBYXMFSA-N 1 0 464.636 3.087 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(C)CCC1 ZINC001303805899 1068410270 /nfs/dbraw/zinc/41/02/70/1068410270.db2.gz GHJFRVGNOOGHEC-CTNGQTDRSA-N 1 0 474.675 3.179 20 0 JGADRO CC(C)n1nc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001305254431 1068415307 /nfs/dbraw/zinc/41/53/07/1068415307.db2.gz HNNGTSHZUPYLFR-MOPGFXCFSA-N 1 0 499.685 3.144 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc(F)cc(F)c2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303810524 1068418720 /nfs/dbraw/zinc/41/87/20/1068418720.db2.gz SYQXGQCNQIFGON-IIBYNOLFSA-N 1 0 498.644 3.313 20 0 JGADRO C[C@H]1SCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC[NH+](C)C)[C@H]1C ZINC001305256311 1068419387 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1068445522 /nfs/dbraw/zinc/44/55/22/1068445522.db2.gz OSCOXVZCRXOOMF-GPHNJDIKSA-N 1 0 492.665 3.174 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305265712 1068446640 /nfs/dbraw/zinc/44/66/40/1068446640.db2.gz MPCIHMHDOIVUBG-PMACEKPBSA-N 1 0 484.645 3.189 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCCC[NH+]1CCCC1 ZINC001303827766 1068447033 /nfs/dbraw/zinc/44/70/33/1068447033.db2.gz JOXHCPAILDKEAH-MOPGFXCFSA-N 1 0 454.685 3.027 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303827773 1068447571 /nfs/dbraw/zinc/44/75/71/1068447571.db2.gz JQLOZINDUIWLNZ-BJLQDIEVSA-N 1 0 468.712 3.271 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCCC2)C1 ZINC001305266299 1068449611 /nfs/dbraw/zinc/44/96/11/1068449611.db2.gz ONLRMMXFDPYGOZ-HXUWFJFHSA-N 1 0 454.619 3.325 20 0 JGADRO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1)[NH+]1CCCC1 ZINC001303829316 1068452255 /nfs/dbraw/zinc/45/22/55/1068452255.db2.gz DDXQORTUKAWTJU-SLFFLAALSA-N 1 0 466.696 3.025 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305267131 1068452757 /nfs/dbraw/zinc/45/27/57/1068452757.db2.gz QFNOKLVIDSDWQC-JTHBVZDNSA-N 1 0 468.646 3.105 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC001305267676 1068455322 /nfs/dbraw/zinc/45/53/22/1068455322.db2.gz NHYBTUKPQDGCHV-XPWALMASSA-N 1 0 490.693 3.152 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303830949 1068456096 /nfs/dbraw/zinc/45/60/96/1068456096.db2.gz MRXJGYQHEMUZGM-QUCCMNQESA-N 1 0 492.665 3.143 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001305268024 1068456542 /nfs/dbraw/zinc/45/65/42/1068456542.db2.gz QXHAVVQHBUHVDM-VXKWHMMOSA-N 1 0 489.064 3.330 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303832194 1068457735 /nfs/dbraw/zinc/45/77/35/1068457735.db2.gz UZQBONJIYSFLTE-OALUTQOASA-N 1 0 466.696 3.027 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305269093 1068459987 /nfs/dbraw/zinc/45/99/87/1068459987.db2.gz TXOKKTFJMZSEFA-VQTJNVASSA-N 1 0 453.635 3.346 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C[NH+](CC)CC)cc2)C1 ZINC001305269437 1068462110 /nfs/dbraw/zinc/46/21/10/1068462110.db2.gz PWIYYQGRAWXZLW-GOTSBHOMSA-N 1 0 468.646 3.167 20 0 JGADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001305269930 1068462147 /nfs/dbraw/zinc/46/21/47/1068462147.db2.gz UYIZIHZKMHGZHF-VXKWHMMOSA-N 1 0 489.064 3.450 20 0 JGADRO C[C@H]1SCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCSCC2)[C@H]1C ZINC001305269752 1068463514 /nfs/dbraw/zinc/46/35/14/1068463514.db2.gz VCNDVRQFDOUSIM-ZSYWTGECSA-N 1 0 496.747 3.428 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001305270086 1068464256 /nfs/dbraw/zinc/46/42/56/1068464256.db2.gz VYTYJABKHDONBV-RTBURBONSA-N 1 0 460.026 3.363 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001303836474 1068465799 /nfs/dbraw/zinc/46/57/99/1068465799.db2.gz MAWQDFUSSUVHIQ-JBACZVJFSA-N 1 0 484.686 3.119 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](CC)c3ccccc3)n2CC[NH+]2CCSCC2)C1 ZINC001305270658 1068466118 /nfs/dbraw/zinc/46/61/18/1068466118.db2.gz QDWYLSXNRMEULC-FGZHOGPDSA-N 1 0 470.687 3.364 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1Cc1ccc(F)cc1 ZINC001303836764 1068466441 /nfs/dbraw/zinc/46/64/41/1068466441.db2.gz PTSINNMDIWBJPT-LJQANCHMSA-N 1 0 492.665 3.168 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303837643 1068467728 /nfs/dbraw/zinc/46/77/28/1068467728.db2.gz AWEVIJVSQCGNAS-APWZRJJASA-N 1 0 498.719 3.037 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCc1ccccc1Cl ZINC001303838602 1068468380 /nfs/dbraw/zinc/46/83/80/1068468380.db2.gz JGDICJLEDQBYJO-SFHVURJKSA-N 1 0 495.093 3.239 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001305272242 1068471051 /nfs/dbraw/zinc/47/10/51/1068471051.db2.gz TUHJYVIEJOLMKJ-NHCUHLMSSA-N 1 0 454.619 3.145 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001305272883 1068473431 /nfs/dbraw/zinc/47/34/31/1068473431.db2.gz YASLSKGHFSBUJV-QUCCMNQESA-N 1 0 473.691 3.249 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001305273478 1068475325 /nfs/dbraw/zinc/47/53/25/1068475325.db2.gz YLJLEGAUOCEZLP-AZUAARDMSA-N 1 0 475.037 3.347 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001303843996 1068475359 /nfs/dbraw/zinc/47/53/59/1068475359.db2.gz CRFLZQGJPWKKBZ-SXLOBPIMSA-N 1 0 496.628 3.207 20 0 JGADRO CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001305276711 1068478028 /nfs/dbraw/zinc/47/80/28/1068478028.db2.gz GMKASXJLLFWZDM-HXUWFJFHSA-N 1 0 484.645 3.141 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001305278055 1068479434 /nfs/dbraw/zinc/47/94/34/1068479434.db2.gz NXSKSEAIRQWEQB-KBOSCXGNSA-N 1 0 498.672 3.108 20 0 JGADRO CC(C)C1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001303846502 1068480545 /nfs/dbraw/zinc/48/05/45/1068480545.db2.gz AHKBDISMNFQEGM-NHCUHLMSSA-N 1 0 480.723 3.417 20 0 JGADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+](CC)CC)C1 ZINC001305279868 1068482673 /nfs/dbraw/zinc/48/26/73/1068482673.db2.gz UZUYTCPOXQSDAW-KCZVDYSFSA-N 1 0 462.683 3.424 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC(C)(C)C2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001303850311 1068485422 /nfs/dbraw/zinc/48/54/22/1068485422.db2.gz SKIXBVPPVHUKSD-FQEVSTJZSA-N 1 0 488.702 3.427 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1C[C@H](c1ccsc1)[NH+](C)C 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ZINC001303855847 1068495769 /nfs/dbraw/zinc/49/57/69/1068495769.db2.gz XLJYSNJBGHKRSI-QGZVFWFLSA-N 1 0 492.665 3.264 20 0 JGADRO CC(C)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001303856030 1068496466 /nfs/dbraw/zinc/49/64/66/1068496466.db2.gz DFOWAMGCPFFLDB-LJQANCHMSA-N 1 0 494.681 3.422 20 0 JGADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@]3(CC=CCC3)C2)C1 ZINC001303856612 1068497029 /nfs/dbraw/zinc/49/70/29/1068497029.db2.gz YTPNZQWOAHIJMG-AWRGLXIESA-N 1 0 478.707 3.335 20 0 JGADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cccc(F)c1)C(C)C ZINC001303856457 1068497041 /nfs/dbraw/zinc/49/70/41/1068497041.db2.gz WANGLPMOWQOFFE-WIYYLYMNSA-N 1 0 480.654 3.488 20 0 JGADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1CC1([NH+](C)C)CCCCC1 ZINC001303858032 1068498830 /nfs/dbraw/zinc/49/88/30/1068498830.db2.gz OFQJZMXZEZEFFZ-RBUKOAKNSA-N 1 0 494.731 3.426 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2Cc2cccs2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303859001 1068499933 /nfs/dbraw/zinc/49/99/33/1068499933.db2.gz ZIDXJJXTIHMGEM-AOIWGVFYSA-N 1 0 492.671 3.057 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305295415 1068502529 /nfs/dbraw/zinc/50/25/29/1068502529.db2.gz QJVJJGYXZSIIRP-KNQAVFIVSA-N 1 0 478.435 3.170 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@H]1CCCC1(C)C ZINC001303865379 1068502883 /nfs/dbraw/zinc/50/28/83/1068502883.db2.gz RZCKEXFLGDZCMN-IFMALSPDSA-N 1 0 488.702 3.079 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001303865380 1068503007 /nfs/dbraw/zinc/50/30/07/1068503007.db2.gz RZCKEXFLGDZCMN-IRLDBZIGSA-N 1 0 488.702 3.079 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001305297561 1068504900 /nfs/dbraw/zinc/50/49/00/1068504900.db2.gz WGWDDNHCMUAYHN-UZUQRXQVSA-N 1 0 466.001 3.447 20 0 JGADRO CC[C@@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001305299308 1068507850 /nfs/dbraw/zinc/50/78/50/1068507850.db2.gz KJNKYIGXJNFFCV-JOCHJYFZSA-N 1 0 478.435 3.170 20 0 JGADRO CC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001305302093 1068511268 /nfs/dbraw/zinc/51/12/68/1068511268.db2.gz QOVLEEHHWOAPHZ-QHCPKHFHSA-N 1 0 458.010 3.205 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC3(CCCCC3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303877704 1068511867 /nfs/dbraw/zinc/51/18/67/1068511867.db2.gz VMSQUCVRTMKAOG-MSOLQXFVSA-N 1 0 496.703 3.040 20 0 JGADRO C[C@](O)(C1CCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303877930 1068512408 /nfs/dbraw/zinc/51/24/08/1068512408.db2.gz AYDVQCOHXUKWQE-NRFANRHFSA-N 1 0 452.525 3.356 20 0 JGADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303879060 1068514299 /nfs/dbraw/zinc/51/42/99/1068514299.db2.gz VFOLUKWZCXYZQZ-NTDBWNAOSA-N 1 0 490.665 3.126 20 0 JGADRO CCCN(C(=O)CNC(=O)c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305307103 1068514866 /nfs/dbraw/zinc/51/48/66/1068514866.db2.gz QAYBCGKFECPNLR-UHFFFAOYSA-N 1 0 453.583 3.337 20 0 JGADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001303887590 1068525443 /nfs/dbraw/zinc/52/54/43/1068525443.db2.gz KJRASQRKQOOIJL-HCXYKTFWSA-N 1 0 493.649 3.299 20 0 JGADRO C[C@@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001303887301 1068525515 /nfs/dbraw/zinc/52/55/15/1068525515.db2.gz HTPWTUVIVYRSJO-HXUWFJFHSA-N 1 0 468.646 3.060 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001305314763 1068528401 /nfs/dbraw/zinc/52/84/01/1068528401.db2.gz QHRYVWQSZJAWHS-LZCXECNNSA-N 1 0 470.662 3.314 20 0 JGADRO CC[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001305315253 1068529369 /nfs/dbraw/zinc/52/93/69/1068529369.db2.gz SJJSFZUJUXIXFL-MHZLTWQESA-N 1 0 484.689 3.055 20 0 JGADRO 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C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCS(C)(=O)=O ZINC001303900117 1068543339 /nfs/dbraw/zinc/54/33/39/1068543339.db2.gz YGIMXMBMFBENRM-GOSISDBHSA-N 1 0 481.638 3.303 20 0 JGADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCNC(=O)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303901433 1068544771 /nfs/dbraw/zinc/54/47/71/1068544771.db2.gz JVYPAWWDSBHSJR-UZLBHIALSA-N 1 0 472.590 3.248 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001303904016 1068548081 /nfs/dbraw/zinc/54/80/81/1068548081.db2.gz VJKOGRHGAFZGJQ-JXQFQVJHSA-N 1 0 461.582 3.282 20 0 JGADRO CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001303904292 1068548815 /nfs/dbraw/zinc/54/88/15/1068548815.db2.gz WEUZIAYKRLIXDA-KBMIEXCESA-N 1 0 485.608 3.383 20 0 JGADRO CC[C@H](C)[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001305329266 1068553820 /nfs/dbraw/zinc/55/38/20/1068553820.db2.gz OJXWOFJHIXPDCU-HFZDXXHNSA-N 1 0 484.693 3.027 20 0 JGADRO 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ODGLUCYSMJRXEK-MZURWIMNSA-N 1 0 483.657 3.302 20 0 JGADRO CC[C@@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC001305686974 1069048571 /nfs/dbraw/zinc/04/85/71/1069048571.db2.gz VBGNTZROLZINPC-GMKZXUHWSA-N 1 0 483.657 3.445 20 0 JGADRO CCC(CC)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)SC ZINC001305689258 1069053530 /nfs/dbraw/zinc/05/35/30/1069053530.db2.gz RPBUDQRQXABXFZ-LJQANCHMSA-N 1 0 487.674 3.006 20 0 JGADRO CCC(CC)(Cn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)OC ZINC001305691003 1069057826 /nfs/dbraw/zinc/05/78/26/1069057826.db2.gz QIDMFYOEFPSLSB-QHCPKHFHSA-N 1 0 464.614 3.401 20 0 JGADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCC(NC(=O)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC001305702573 1069084687 /nfs/dbraw/zinc/08/46/87/1069084687.db2.gz CGGAUCMVOLGGBY-DEOSSOPVSA-N 1 0 468.646 3.122 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001305703289 1069086259 /nfs/dbraw/zinc/08/62/59/1069086259.db2.gz HCOZWXKZKCAFSO-PXDATVDWSA-N 1 0 454.619 3.179 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(O)cc2C1)[NH+](C)C ZINC001305703602 1069086997 /nfs/dbraw/zinc/08/69/97/1069086997.db2.gz BMRIXKNWNYRSMM-QFIPXVFZSA-N 1 0 454.619 3.149 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1)[NH+]1CCOCC1 ZINC001305704212 1069088843 /nfs/dbraw/zinc/08/88/43/1069088843.db2.gz DFXFERYTFPPJJD-QHCPKHFHSA-N 1 0 498.672 3.207 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCN(CC)C2=O)CC1)[NH+](C)C ZINC001305704244 1069089539 /nfs/dbraw/zinc/08/95/39/1069089539.db2.gz DHICIZWMUVLYLB-QFIPXVFZSA-N 1 0 470.666 3.366 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCOCC1 ZINC001305704609 1069091441 /nfs/dbraw/zinc/09/14/41/1069091441.db2.gz FZERCSPWSCSXDS-JTHBVZDNSA-N 1 0 458.651 3.426 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305704972 1069092435 /nfs/dbraw/zinc/09/24/35/1069092435.db2.gz HIPHXEUXGNSMFY-UEXGIBASSA-N 1 0 461.680 3.146 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001305705565 1069093810 /nfs/dbraw/zinc/09/38/10/1069093810.db2.gz KYSDPAJMRRVPKF-RRPUWOKSSA-N 1 0 488.652 3.444 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+]1CCOCC1 ZINC001305706481 1069095253 /nfs/dbraw/zinc/09/52/53/1069095253.db2.gz VCQLTNBPEHLABB-WIYYLYMNSA-N 1 0 461.680 3.063 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(=O)OC)C1)[NH+](C)C ZINC001305706512 1069095400 /nfs/dbraw/zinc/09/54/00/1069095400.db2.gz VXAUWTHFKFLHSD-APWZRJJASA-N 1 0 495.466 3.412 20 0 JGADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1)[NH+](C)C ZINC001305707064 1069096499 /nfs/dbraw/zinc/09/64/99/1069096499.db2.gz PUHFIGMRVQLPJY-GJZUVCINSA-N 1 0 470.662 3.189 20 0 JGADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(C1)OCc1ccccc12)[NH+](C)C ZINC001305707078 1069097362 /nfs/dbraw/zinc/09/73/62/1069097362.db2.gz PXHYTORXJMGEHO-NVQXNPDNSA-N 1 0 468.646 3.419 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001305707444 1069098385 /nfs/dbraw/zinc/09/83/85/1069098385.db2.gz FSPYPJILMYGDON-UKILVPOCSA-N 1 0 482.673 3.495 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@](C)(CC)C1)[NH+](C)C ZINC001305707422 1069098517 /nfs/dbraw/zinc/09/85/17/1069098517.db2.gz FICOJKGNORRNTE-DHLKQENFSA-N 1 0 481.649 3.293 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)[NH+](C)C ZINC001305707674 1069098838 /nfs/dbraw/zinc/09/88/38/1069098838.db2.gz ROIZCMUOMQAIAO-NQIIRXRSSA-N 1 0 469.638 3.196 20 0 JGADRO CCC(CC)[C@@H](CCn1c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nnc1C(C)(C)C)OC ZINC001305707661 1069098952 /nfs/dbraw/zinc/09/89/52/1069098952.db2.gz SHBFCAPFMOLJKW-OAQYLSRUSA-N 1 0 462.683 3.161 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+](C)C ZINC001305708583 1069101251 /nfs/dbraw/zinc/10/12/51/1069101251.db2.gz KXLCANFUVCDFQF-PGRDOPGGSA-N 1 0 481.649 3.291 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001305708895 1069101904 /nfs/dbraw/zinc/10/19/04/1069101904.db2.gz LJJKMDZQUOGCQX-XLIONFOSSA-N 1 0 463.026 3.356 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001305708898 1069102051 /nfs/dbraw/zinc/10/20/51/1069102051.db2.gz LJJKMDZQUOGCQX-YLJYHZDGSA-N 1 0 463.026 3.356 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1)[NH+](C)C ZINC001305709246 1069103308 /nfs/dbraw/zinc/10/33/08/1069103308.db2.gz BGWRNZNCLYIZMW-RBBKRZOGSA-N 1 0 451.623 3.448 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC)(CC)C1)[NH+]1CCOCC1 ZINC001305709359 1069104106 /nfs/dbraw/zinc/10/41/06/1069104106.db2.gz CORYSZJOLFAJPD-LEWJYISDSA-N 1 0 460.667 3.383 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305709409 1069104164 /nfs/dbraw/zinc/10/41/64/1069104164.db2.gz PCISPGIZQRZDGJ-NZQKXSOJSA-N 1 0 484.670 3.483 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305709411 1069104214 /nfs/dbraw/zinc/10/42/14/1069104214.db2.gz PCISPGIZQRZDGJ-REWPJTCUSA-N 1 0 484.670 3.483 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001305709603 1069104823 /nfs/dbraw/zinc/10/48/23/1069104823.db2.gz QOHPBRVOOHGAAZ-OFNKIYASSA-N 1 0 484.670 3.483 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001305709605 1069104874 /nfs/dbraw/zinc/10/48/74/1069104874.db2.gz QOHPBRVOOHGAAZ-REWPJTCUSA-N 1 0 484.670 3.483 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)[NH+](C)C ZINC001305709726 1069105488 /nfs/dbraw/zinc/10/54/88/1069105488.db2.gz BQAVHACQRJDWEN-RFWXGWTQSA-N 1 0 488.627 3.476 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cncn2)C1)[NH+](C)C ZINC001305709892 1069106091 /nfs/dbraw/zinc/10/60/91/1069106091.db2.gz BYEYZPISWXUPJP-YADHBBJMSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cncn2)C1)[NH+](C)C ZINC001305709888 1069106184 /nfs/dbraw/zinc/10/61/84/1069106184.db2.gz BYEYZPISWXUPJP-FGZHOGPDSA-N 1 0 451.623 3.063 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](OC)C(C)(C)C1)[NH+](C)C ZINC001305710105 1069107279 /nfs/dbraw/zinc/10/72/79/1069107279.db2.gz HLMXNSSYQKBYOR-YADHBBJMSA-N 1 0 495.672 3.420 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](OC)C(C)(C)C1)[NH+](C)C ZINC001305710103 1069107286 /nfs/dbraw/zinc/10/72/86/1069107286.db2.gz HLMXNSSYQKBYOR-FGZHOGPDSA-N 1 0 495.672 3.420 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)[NH+](C)C ZINC001305710364 1069107316 /nfs/dbraw/zinc/10/73/16/1069107316.db2.gz VLQLBMRWIIHWPJ-CEWLAPEOSA-N 1 0 457.575 3.434 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(CO)CC1)[NH+](C)C ZINC001305710506 1069107829 /nfs/dbraw/zinc/10/78/29/1069107829.db2.gz JIEZQOCQIJOYQH-NRFANRHFSA-N 1 0 467.618 3.169 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305710698 1069108426 /nfs/dbraw/zinc/10/84/26/1069108426.db2.gz HUFQZSVVIBDRAK-DEOSSOPVSA-N 1 0 481.689 3.469 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001305710890 1069108796 /nfs/dbraw/zinc/10/87/96/1069108796.db2.gz XJKMKXCTKAOQSX-PKTZIBPZSA-N 1 0 495.672 3.387 20 0 JGADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001305710888 1069108936 /nfs/dbraw/zinc/10/89/36/1069108936.db2.gz XJKMKXCTKAOQSX-DHIUTWEWSA-N 1 0 495.672 3.387 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305711539 1069110603 /nfs/dbraw/zinc/11/06/03/1069110603.db2.gz OPZIMPYCLNZOIS-IRLDBZIGSA-N 1 0 476.691 3.418 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC)C1)[NH+]1CCOCC1 ZINC001305711347 1069110624 /nfs/dbraw/zinc/11/06/24/1069110624.db2.gz LGSMXEOYUVISNG-XZOQPEGZSA-N 1 0 456.635 3.016 20 0 JGADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCC(CC(=O)NC)CC1)[NH+]1CCOCC1 ZINC001305711571 1069111000 /nfs/dbraw/zinc/11/10/00/1069111000.db2.gz PCLKCWYHWVGUEO-QFIPXVFZSA-N 1 0 460.667 3.035 20 0 JGADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCSC(C)(C)C1)[NH+]1CCOCC1 ZINC001305711598 1069111082 /nfs/dbraw/zinc/11/10/82/1069111082.db2.gz PKNKCISSKGLROB-FQEVSTJZSA-N 1 0 459.664 3.204 20 0 JGADRO CCC(CC)[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+](C)C ZINC001305711728 1069111539 /nfs/dbraw/zinc/11/15/39/1069111539.db2.gz CNIYIKJEPIIFNP-OIBXWCBGSA-N 1 0 484.693 3.026 20 0 JGADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C)CC1)[NH+](C)C ZINC001305712597 1069113037 /nfs/dbraw/zinc/11/30/37/1069113037.db2.gz UHMMTCZNNABDLD-JTHBVZDNSA-N 1 0 467.662 3.231 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001305712890 1069113880 /nfs/dbraw/zinc/11/38/80/1069113880.db2.gz SZZVOXLTPUWSFD-WMZHIEFXSA-N 1 0 459.610 3.370 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(CC)c2)CC1)[NH+](C)C ZINC001305713065 1069113998 /nfs/dbraw/zinc/11/39/98/1069113998.db2.gz VVDSUPYAWMYNAC-YADHBBJMSA-N 1 0 470.666 3.196 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1)[NH+](C)C ZINC001305714520 1069118471 /nfs/dbraw/zinc/11/84/71/1069118471.db2.gz YFKYACBAHXQKMS-OFVILXPXSA-N 1 0 472.609 3.405 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001305715118 1069119653 /nfs/dbraw/zinc/11/96/53/1069119653.db2.gz KQPASFDTAPMENW-GMAHTHKFSA-N 1 0 487.693 3.280 20 0 JGADRO CCC(CC)[C@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCC(=O)N1)[NH+](C)C ZINC001305716170 1069121702 /nfs/dbraw/zinc/12/17/02/1069121702.db2.gz OTCIOMWKZUBTKC-IKGGRYGDSA-N 1 0 450.538 3.116 20 0 JGADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001305716578 1069122911 /nfs/dbraw/zinc/12/29/11/1069122911.db2.gz QHZKNHHGECNQPR-OZXSUGGESA-N 1 0 487.714 3.445 20 0 JGADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+](C)C ZINC001305716636 1069122917 /nfs/dbraw/zinc/12/29/17/1069122917.db2.gz RBTXUWLZUHQSLP-JJTGBXKASA-N 1 0 487.693 3.280 20 0 JGADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]2OCO[C@H]2C1)[NH+](C)C ZINC001305717005 1069124294 /nfs/dbraw/zinc/12/42/94/1069124294.db2.gz SJKZNKVBAJNDIY-ZLNRFVROSA-N 1 0 457.619 3.402 20 0 JGADRO CCC(CC)[C@@H](Cn1c(Nc2ccn(C)n2)nnc1-c1nn(C)c(=O)c2ccccc21)[NH+](C)C ZINC001305716968 1069124408 /nfs/dbraw/zinc/12/44/08/1069124408.db2.gz SBPNOZKSKILXAD-LJQANCHMSA-N 1 0 463.590 3.036 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cscn1)[NH+]1CCOCC1 ZINC001305717414 1069124769 /nfs/dbraw/zinc/12/47/69/1069124769.db2.gz SUFNMGWCNONQCP-CTNGQTDRSA-N 1 0 462.664 3.402 20 0 JGADRO CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(C(C)=O)CC1)[NH+](C)C ZINC001305718245 1069125883 /nfs/dbraw/zinc/12/58/83/1069125883.db2.gz WSWBERJHSBRHBH-XUZZJYLKSA-N 1 0 484.645 3.216 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305720489 1069129157 /nfs/dbraw/zinc/12/91/57/1069129157.db2.gz OPWYVYFVHIRYCJ-UHFFFAOYSA-N 1 0 460.667 3.468 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1Cc1cnn(C)c1 ZINC001305721164 1069131002 /nfs/dbraw/zinc/13/10/02/1069131002.db2.gz GXLBBJNXRDJGEN-HSZRJFAPSA-N 1 0 478.645 3.079 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305724102 1069138170 /nfs/dbraw/zinc/13/81/70/1069138170.db2.gz QLJQHHXZJPEERA-UHFFFAOYSA-N 1 0 491.631 3.137 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@H]1CCC[N@@H+]1CC ZINC001305724729 1069139837 /nfs/dbraw/zinc/13/98/37/1069139837.db2.gz KWAQGLRKWPWNFK-MRXNPFEDSA-N 1 0 486.646 3.028 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001305735157 1069155241 /nfs/dbraw/zinc/15/52/41/1069155241.db2.gz KUMPKTJJQZJMFW-CEMLEFRQSA-N 1 0 487.693 3.099 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001305735162 1069155291 /nfs/dbraw/zinc/15/52/91/1069155291.db2.gz KUMPKTJJQZJMFW-KSEOMHKRSA-N 1 0 487.693 3.099 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCC(C)C ZINC001305735464 1069156583 /nfs/dbraw/zinc/15/65/83/1069156583.db2.gz HQMUZIDKYZRRKN-NZQKXSOJSA-N 1 0 489.709 3.012 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001305737594 1069160799 /nfs/dbraw/zinc/16/07/99/1069160799.db2.gz KCXCOXXEAPBYCC-PMACEKPBSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1Cc1ccc(N(CC)CC)nc1 ZINC001305739163 1069167142 /nfs/dbraw/zinc/16/71/42/1069167142.db2.gz JPONSEIYMNNFSD-UGKGYDQZSA-N 1 0 482.677 3.159 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001305739731 1069168191 /nfs/dbraw/zinc/16/81/91/1069168191.db2.gz GRTMSVZLWJWNDB-HXUWFJFHSA-N 1 0 478.682 3.090 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001305739729 1069168264 /nfs/dbraw/zinc/16/82/64/1069168264.db2.gz GRTMSVZLWJWNDB-FQEVSTJZSA-N 1 0 478.682 3.090 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1C[C@@H](C)CN1CCOCC1 ZINC001305740365 1069170486 /nfs/dbraw/zinc/17/04/86/1069170486.db2.gz HQCOVBZPSQVVTD-IBGZPJMESA-N 1 0 486.661 3.347 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001305740871 1069172255 /nfs/dbraw/zinc/17/22/55/1069172255.db2.gz IVTOVQRKUDJGDC-HYBUGGRVSA-N 1 0 498.672 3.010 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001305741530 1069174290 /nfs/dbraw/zinc/17/42/90/1069174290.db2.gz JTRPQNLRIVTACC-LLGFUMIMSA-N 1 0 460.598 3.252 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742025 1069175448 /nfs/dbraw/zinc/17/54/48/1069175448.db2.gz UGGYDZJSYJTLAO-JKSUJKDBSA-N 1 0 476.695 3.313 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001305742903 1069178132 /nfs/dbraw/zinc/17/81/32/1069178132.db2.gz CLEATMLRRYFFRT-OALUTQOASA-N 1 0 491.681 3.032 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CCCn1nc(C)cc1C ZINC001305743751 1069181129 /nfs/dbraw/zinc/18/11/29/1069181129.db2.gz YLXOSLXHHITVDJ-UXHICEINSA-N 1 0 458.655 3.019 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001305743833 1069181167 /nfs/dbraw/zinc/18/11/67/1069181167.db2.gz TUMODLNSROYOLW-NHCUHLMSSA-N 1 0 490.693 3.235 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CCCn1nc(C)cc1C ZINC001305743752 1069181195 /nfs/dbraw/zinc/18/11/95/1069181195.db2.gz YLXOSLXHHITVDJ-VQTJNVASSA-N 1 0 458.655 3.019 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001305743832 1069181300 /nfs/dbraw/zinc/18/13/00/1069181300.db2.gz TUMODLNSROYOLW-LEWJYISDSA-N 1 0 490.693 3.235 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305744101 1069182468 /nfs/dbraw/zinc/18/24/68/1069182468.db2.gz ZVJGBMPAASRPGK-GBESFXJTSA-N 1 0 456.635 3.217 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccc([C@H](C)O)cc1 ZINC001305744098 1069182612 /nfs/dbraw/zinc/18/26/12/1069182612.db2.gz ZVJGBMPAASRPGK-FHWLQOOXSA-N 1 0 456.635 3.217 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305744735 1069184446 /nfs/dbraw/zinc/18/44/46/1069184446.db2.gz XSJAJFJPKMHUPT-JAXLGGSGSA-N 1 0 474.694 3.448 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001305747622 1069191606 /nfs/dbraw/zinc/19/16/06/1069191606.db2.gz IFZSDTTUUQMBGV-KRWDZBQOSA-N 1 0 479.670 3.030 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC(C)(C)O ZINC001305748337 1069192834 /nfs/dbraw/zinc/19/28/34/1069192834.db2.gz GQLGTYUKVFMHQB-IBGZPJMESA-N 1 0 456.635 3.068 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H]2CC)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001305748415 1069192847 /nfs/dbraw/zinc/19/28/47/1069192847.db2.gz HXMUQSDOMYYTBZ-CTNGQTDRSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001305749463 1069193717 /nfs/dbraw/zinc/19/37/17/1069193717.db2.gz AVYFVDZGZDPRDW-KRWDZBQOSA-N 1 0 459.664 3.379 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001305749267 1069193936 /nfs/dbraw/zinc/19/39/36/1069193936.db2.gz FBXVHMYHXHJGMA-CVDCTZTESA-N 1 0 496.635 3.366 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305750447 1069196077 /nfs/dbraw/zinc/19/60/77/1069196077.db2.gz XPMDGJHYXGIPPE-PKTZIBPZSA-N 1 0 495.716 3.497 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305752229 1069199226 /nfs/dbraw/zinc/19/92/26/1069199226.db2.gz OELOELSERSXNRE-IRLDBZIGSA-N 1 0 460.667 3.324 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(OC)cc3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001305752511 1069200438 /nfs/dbraw/zinc/20/04/38/1069200438.db2.gz SUSLGJVRNMKMIS-NRFANRHFSA-N 1 0 498.672 3.310 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001305754415 1069205034 /nfs/dbraw/zinc/20/50/34/1069205034.db2.gz DJIOAXHFZFMRKS-XLIONFOSSA-N 1 0 491.681 3.125 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(F)(F)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001305754673 1069205524 /nfs/dbraw/zinc/20/55/24/1069205524.db2.gz GURAUEXJKJGXID-GOSISDBHSA-N 1 0 452.525 3.484 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001305754896 1069205629 /nfs/dbraw/zinc/20/56/29/1069205629.db2.gz HIGIFYUCNGOOEO-AFMDSPMNSA-N 1 0 489.709 3.154 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(COC)CC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305755230 1069206920 /nfs/dbraw/zinc/20/69/20/1069206920.db2.gz LWICTOXKAQCLGB-UHFFFAOYSA-N 1 0 482.673 3.159 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCn1cc(Cl)cn1 ZINC001305756055 1069209566 /nfs/dbraw/zinc/20/95/66/1069209566.db2.gz RXDDTYOYFJJJQL-SFHVURJKSA-N 1 0 477.057 3.059 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+](C)C ZINC001305756356 1069209940 /nfs/dbraw/zinc/20/99/40/1069209940.db2.gz VSJRFPRQMWRFLP-SFHVURJKSA-N 1 0 493.697 3.372 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H]1CCC[C@@H]1OC ZINC001305756667 1069211088 /nfs/dbraw/zinc/21/10/88/1069211088.db2.gz IWRCYGHLJCWZSV-UGKGYDQZSA-N 1 0 460.667 3.466 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCC(=O)N1CCCCC1 ZINC001305757281 1069213934 /nfs/dbraw/zinc/21/39/34/1069213934.db2.gz XVCZTFUFNHVBNL-UHFFFAOYSA-N 1 0 487.693 3.054 20 0 JGADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001305759097 1069220033 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CCN(CC)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164685519 719674718 /nfs/dbraw/zinc/67/47/18/719674718.db2.gz VEXLVQGFELVVFE-NRFANRHFSA-N 1 0 464.658 3.416 20 0 JGADRO CC(C)Oc1nccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680042 719679989 /nfs/dbraw/zinc/67/99/89/719679989.db2.gz AYVBVBUPUPRJOP-FQEVSTJZSA-N 1 0 451.615 3.357 20 0 JGADRO Cc1cnc2c(ccnc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685691 719680017 /nfs/dbraw/zinc/68/00/17/719680017.db2.gz VSMOYFUMJQCRGJ-HXUWFJFHSA-N 1 0 458.610 3.427 20 0 JGADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N4CCSCC4)ncn3)CC2)c2ccccc21 ZINC001164684201 719680651 /nfs/dbraw/zinc/68/06/51/719680651.db2.gz SMRIYYOBPNNCQW-OAQYLSRUSA-N 1 0 494.709 3.123 20 0 JGADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164687967 719687423 /nfs/dbraw/zinc/68/74/23/719687423.db2.gz WYLKLGRNYMNLDB-UHFFFAOYSA-N 1 0 487.942 3.285 20 0 JGADRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164685763 719689995 /nfs/dbraw/zinc/68/99/95/719689995.db2.gz LXCXNGUHBJPBHQ-OAQYLSRUSA-N 1 0 486.620 3.164 20 0 JGADRO O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)N1Cc1cccnc1 ZINC001164690776 719777268 /nfs/dbraw/zinc/77/72/68/719777268.db2.gz IEPYFVVCGPCRNC-PMACEKPBSA-N 1 0 459.928 3.431 20 0 JGADRO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2O1 ZINC001164700128 719818413 /nfs/dbraw/zinc/81/84/13/719818413.db2.gz IQGTULBNCHUDGU-RNCAPKPVSA-N 1 0 497.643 3.378 20 0 JGADRO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2O1 ZINC001164700127 719818657 /nfs/dbraw/zinc/81/86/57/719818657.db2.gz IQGTULBNCHUDGU-MXSCXNJPSA-N 1 0 497.643 3.378 20 0 JGADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)nc1 ZINC001164702589 719820033 /nfs/dbraw/zinc/82/00/33/719820033.db2.gz SDKKNEWXRMPVDK-KMRPREKFSA-N 1 0 463.626 3.366 20 0 JGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)C1 ZINC001164705895 719898704 /nfs/dbraw/zinc/89/87/04/719898704.db2.gz FHWYAGJKZJHEOM-HXUWFJFHSA-N 1 0 485.654 3.189 20 0 JGADRO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc2C1 ZINC001164707749 719908760 /nfs/dbraw/zinc/90/87/60/719908760.db2.gz XGTLLURIXASAGT-SFHVURJKSA-N 1 0 456.612 3.078 20 0 JGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c12 ZINC001164811434 720070457 /nfs/dbraw/zinc/07/04/57/720070457.db2.gz OJARQLHIJWIPHH-BCHFMIIMSA-N 1 0 463.582 3.244 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164710015 720100339 /nfs/dbraw/zinc/10/03/39/720100339.db2.gz FLRDUEDTZJEGRN-QFIPXVFZSA-N 1 0 461.566 3.319 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164712127 720102736 /nfs/dbraw/zinc/10/27/36/720102736.db2.gz VRKIRFFNVZPWGP-HXUWFJFHSA-N 1 0 461.566 3.304 20 0 JGADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC)OCC ZINC001164811140 720116523 /nfs/dbraw/zinc/11/65/23/720116523.db2.gz LRXBLZCHAOWZSQ-JPYJTQIMSA-N 1 0 453.027 3.256 20 0 JGADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n1)C2 ZINC001164808540 720117137 /nfs/dbraw/zinc/11/71/37/720117137.db2.gz FNGIRQPEOWVIQZ-IDISGSTGSA-N 1 0 480.657 3.433 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)C2 ZINC001164814953 720117365 /nfs/dbraw/zinc/11/73/65/720117365.db2.gz USNSBCZLXIUNKA-CLOONOSVSA-N 1 0 455.603 3.163 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164711140 720137701 /nfs/dbraw/zinc/13/77/01/720137701.db2.gz FQEOGIGYPUCAAL-KRWDZBQOSA-N 1 0 479.959 3.281 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1cc(C(=O)OC)n3C)CC2 ZINC001164714400 720138722 /nfs/dbraw/zinc/13/87/22/720138722.db2.gz WZYAUZBHGLZVPF-SFHVURJKSA-N 1 0 499.015 3.311 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(N3CCCCCC3)n1)CC2 ZINC001164710871 720140325 /nfs/dbraw/zinc/14/03/25/720140325.db2.gz FGRAOMCBNFPCAT-QFIPXVFZSA-N 1 0 481.645 3.163 20 0 JGADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164713997 720144262 /nfs/dbraw/zinc/14/42/62/720144262.db2.gz UWYWDXQFFXHVPQ-GOSISDBHSA-N 1 0 467.948 3.500 20 0 JGADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(C(=O)NCC(C)C)ccc31)C2 ZINC001164811079 720147893 /nfs/dbraw/zinc/14/78/93/720147893.db2.gz LFUWZKSVLUYJHS-QFQXNSOFSA-N 1 0 451.615 3.200 20 0 JGADRO CCCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164715787 720157611 /nfs/dbraw/zinc/15/76/11/720157611.db2.gz WQMXUQQEPHDQRS-LJQANCHMSA-N 1 0 473.021 3.172 20 0 JGADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164711901 720157629 /nfs/dbraw/zinc/15/76/29/720157629.db2.gz DJKDBOZVURPOTH-IBGZPJMESA-N 1 0 452.933 3.421 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(C(=O)N(C)C)C[C@]34CCN(C)C4=O)CC2)nc1 ZINC001164716483 720161957 /nfs/dbraw/zinc/16/19/57/720161957.db2.gz ZSVZJDXCRDDOBX-LXFBAYGMSA-N 1 0 496.700 3.451 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715820 720168304 /nfs/dbraw/zinc/16/83/04/720168304.db2.gz WXZAWLDGZWVNCK-MRXNPFEDSA-N 1 0 461.344 3.278 20 0 JGADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)cc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164713473 720170288 /nfs/dbraw/zinc/17/02/88/720170288.db2.gz KZPIQCJZDQFQGQ-INIZCTEOSA-N 1 0 461.344 3.278 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)nc3cc(Cl)ccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716538 720181903 /nfs/dbraw/zinc/18/19/03/720181903.db2.gz GTZUUTBTTOFDIN-GOSISDBHSA-N 1 0 462.385 3.281 20 0 JGADRO Cn1nnc2c1CCN(c1nc(Cl)ncc1OCc1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719912 720183756 /nfs/dbraw/zinc/18/37/56/720183756.db2.gz YSYAFTPGLFBTGD-FQEVSTJZSA-N 1 0 484.004 3.054 20 0 JGADRO COc1cc2cnc(Cl)cc2cc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716707 720207390 /nfs/dbraw/zinc/20/73/90/720207390.db2.gz DBGFVLRUWIJNGZ-HXUWFJFHSA-N 1 0 456.978 3.242 20 0 JGADRO CCOc1cc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OCC ZINC001164833415 720319250 /nfs/dbraw/zinc/31/92/50/720319250.db2.gz WZQWLXOCJRVHFC-FCHUYYIVSA-N 1 0 467.614 3.339 20 0 JGADRO CCOC(=O)c1cc2c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH]c(C)c(C)c-2n1 ZINC001164831954 720325709 /nfs/dbraw/zinc/32/57/09/720325709.db2.gz SKFXPQNPMJNYBQ-YADHBBJMSA-N 1 0 467.614 3.268 20 0 JGADRO CCOC(=O)c1cc2c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH]c(C)c(C)c-2n1 ZINC001164831951 720325811 /nfs/dbraw/zinc/32/58/11/720325811.db2.gz SKFXPQNPMJNYBQ-FCHUYYIVSA-N 1 0 467.614 3.268 20 0 JGADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc(Oc3cccc(F)c3)n2)CC1 ZINC001164834336 720328334 /nfs/dbraw/zinc/32/83/34/720328334.db2.gz ZGMOYZMPGQBPCU-RBUKOAKNSA-N 1 0 474.968 3.368 20 0 JGADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C 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720353617 /nfs/dbraw/zinc/35/36/17/720353617.db2.gz FMLJACSPBMHTSG-XZOQPEGZSA-N 1 0 474.590 3.225 20 0 JGADRO O=C(c1cccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731367 720406757 /nfs/dbraw/zinc/40/67/57/720406757.db2.gz ZHJGQGFYUHLLLA-RRPNLBNLSA-N 1 0 482.632 3.288 20 0 JGADRO COc1ccc(Cn2cc3[nH]c(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)ccc-3c2=O)cc1 ZINC001164735339 720429381 /nfs/dbraw/zinc/42/93/81/720429381.db2.gz WHUSAKIUUWHECK-LOSJGSFVSA-N 1 0 455.562 3.494 20 0 JGADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2c1C ZINC001164731496 720439389 /nfs/dbraw/zinc/43/93/89/720439389.db2.gz KYEOGKZQKODANC-NHCUHLMSSA-N 1 0 464.639 3.389 20 0 JGADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccccc4nc3N3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834220 720540700 /nfs/dbraw/zinc/54/07/00/720540700.db2.gz CVOGTLIXVXYUOX-AWRGLXIESA-N 1 0 461.614 3.041 20 0 JGADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164732644 720554615 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CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(Cl)(Cl)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164888985 721452985 /nfs/dbraw/zinc/45/29/85/721452985.db2.gz MWLUVHHTAKIBKP-IEBWSBKVSA-N 1 0 463.837 3.464 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc4c(cc31)OCCO4)CC2 ZINC001164787590 721453084 /nfs/dbraw/zinc/45/30/84/721453084.db2.gz OSQJVLLMDMZSKR-FQEVSTJZSA-N 1 0 468.598 3.135 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(NC(=O)C(C)(C)C)nn1)CC2 ZINC001164783981 721459456 /nfs/dbraw/zinc/45/94/56/721459456.db2.gz GPSTZWWKOQMSRE-HXUWFJFHSA-N 1 0 459.635 3.195 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)NC(C)(C)C)cn1)CC2 ZINC001164790046 721460019 /nfs/dbraw/zinc/46/00/19/721460019.db2.gz ZFULCHFDGXRZEF-QFIPXVFZSA-N 1 0 458.647 3.344 20 0 JGADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)nc(-c3ccccc3)n1)CC2 ZINC001164786874 721462428 /nfs/dbraw/zinc/46/24/28/721462428.db2.gz QCZCCNARJQGLFL-JOCHJYFZSA-N 1 0 467.614 3.281 20 0 JGADRO CCOC(=O)c1cc2ccc(N3CCC4(C[C@H](COCC5CC5)[N@H+](CCOC)C4)CC3)[nH]c-2n1 ZINC001164782743 721463076 /nfs/dbraw/zinc/46/30/76/721463076.db2.gz BIDOFYWMLZNCIJ-OAQYLSRUSA-N 1 0 470.614 3.474 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164786596 721466982 /nfs/dbraw/zinc/46/69/82/721466982.db2.gz BTUAVGZGGXYZTL-NRFANRHFSA-N 1 0 483.613 3.364 20 0 JGADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164788190 721468211 /nfs/dbraw/zinc/46/82/11/721468211.db2.gz IMEKIRCXZBRBBK-SFHVURJKSA-N 1 0 474.980 3.331 20 0 JGADRO O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]12)N1CCCO1 ZINC001164793293 721484146 /nfs/dbraw/zinc/48/41/46/721484146.db2.gz UFONRTKDRBJQOR-RLLQIKCJSA-N 1 0 482.959 3.052 20 0 JGADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(=O)N3CCOCC3)cc1Cl)CC2 ZINC001164795038 721500663 /nfs/dbraw/zinc/50/06/63/721500663.db2.gz BHPPQJVLLQDYIM-UHFFFAOYSA-N 1 0 470.017 3.483 20 0 JGADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794551 721510243 /nfs/dbraw/zinc/51/02/43/721510243.db2.gz RVNJVTJYYSDNAA-UHFFFAOYSA-N 1 0 499.619 3.182 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(C(=O)Nc4ccc(Cl)nc4)ccc2F)CC3)CC1 ZINC001164794182 721514113 /nfs/dbraw/zinc/51/41/13/721514113.db2.gz JVMAWGKMGURURD-UHFFFAOYSA-N 1 0 483.979 3.091 20 0 JGADRO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164799099 721518550 /nfs/dbraw/zinc/51/85/50/721518550.db2.gz WPXIMTJEYNYUCR-UHFFFAOYSA-N 1 0 468.989 3.029 20 0 JGADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)CC3)CC1 ZINC001164797250 721518714 /nfs/dbraw/zinc/51/87/14/721518714.db2.gz IYVILUFROFVXIH-UHFFFAOYSA-N 1 0 457.941 3.026 20 0 JGADRO Cc1sc2nc(CN3CCCCC3)nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1C ZINC001164796856 721519081 /nfs/dbraw/zinc/51/90/81/721519081.db2.gz FFRUREKMHFJABG-UHFFFAOYSA-N 1 0 494.713 3.258 20 0 JGADRO CCc1cccc(Oc2nc(Cl)ncc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1 ZINC001164795686 721521886 /nfs/dbraw/zinc/52/18/86/721521886.db2.gz RMIACHMCAYUTOP-UHFFFAOYSA-N 1 0 468.005 3.449 20 0 JGADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900725 721524391 /nfs/dbraw/zinc/52/43/91/721524391.db2.gz UIWGYYBYZHEOEH-FPOVZHCZSA-N 1 0 493.564 3.149 20 0 JGADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CC[N@@H+]3C2)c1 ZINC001164903071 721541438 /nfs/dbraw/zinc/54/14/38/721541438.db2.gz BZTAQFABVHXUOR-PZJWPPBQSA-N 1 0 462.504 3.495 20 0 JGADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906925 721546927 /nfs/dbraw/zinc/54/69/27/721546927.db2.gz LVPKSZVRLJDABC-IEBWSBKVSA-N 1 0 470.545 3.334 20 0 JGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3COC(=O)C(C)(C)C)[C@H]2CCCO[C@@H]12 ZINC001164802445 721554748 /nfs/dbraw/zinc/55/47/48/721554748.db2.gz IQNVFSYQHPMOFQ-BHDDXSALSA-N 1 0 478.597 3.241 20 0 JGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c2ccn3COC(=O)C(C)(C)C)[C@@H]2CCCO[C@H]12 ZINC001164802449 721555138 /nfs/dbraw/zinc/55/51/38/721555138.db2.gz IQNVFSYQHPMOFQ-VSKRKVRLSA-N 1 0 478.597 3.241 20 0 JGADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907240 721555603 /nfs/dbraw/zinc/55/56/03/721555603.db2.gz MYLRPCPDDRUIQR-ICSRJNTNSA-N 1 0 462.591 3.030 20 0 JGADRO COC(=O)c1cc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)[nH]c(Cl)cc-2n1 ZINC001164801708 721568445 /nfs/dbraw/zinc/56/84/45/721568445.db2.gz HCIZQEHOXHTYNX-DYXWJJEUSA-N 1 0 455.946 3.266 20 0 JGADRO COCCN1C[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]2C1=O ZINC001164901401 721574800 /nfs/dbraw/zinc/57/48/00/721574800.db2.gz FQNBMGFFIDMPMY-SFTDATJTSA-N 1 0 497.039 3.298 20 0 JGADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164801877 721585211 /nfs/dbraw/zinc/58/52/11/721585211.db2.gz GCAFJULQBPASRD-BXTSTYNKSA-N 1 0 485.636 3.066 20 0 JGADRO COC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c2ccccc2c1OC ZINC001164807675 721585311 /nfs/dbraw/zinc/58/53/11/721585311.db2.gz PHFBJPSHMDIELV-HFMPRLQTSA-N 1 0 462.550 3.293 20 0 JGADRO COc1cccc(CN2C[C@H]3CCN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3S2(=O)=O)c1 ZINC001164808895 721592816 /nfs/dbraw/zinc/59/28/16/721592816.db2.gz RJNZZJQENOVMGV-ISKFKSNPSA-N 1 0 470.639 3.117 20 0 JGADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CC1 ZINC001165011956 721733805 /nfs/dbraw/zinc/73/38/05/721733805.db2.gz ZCXGNLRCUJQRMS-UHFFFAOYSA-N 1 0 469.033 3.169 20 0 JGADRO FC1(F)CCN(c2nc(Cl)cc(O[C@H]3CCOC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164911741 721737294 /nfs/dbraw/zinc/73/72/94/721737294.db2.gz KAQWQRBKTHVOMW-UWJYYQICSA-N 1 0 465.932 3.430 20 0 JGADRO COc1ccccc1Oc1nc(Cl)ncc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165012187 721749972 /nfs/dbraw/zinc/74/99/72/721749972.db2.gz BOYMERQKSDDZBS-UHFFFAOYSA-N 1 0 459.978 3.454 20 0 JGADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)C[C@@H]21 ZINC001165025891 721810722 /nfs/dbraw/zinc/81/07/22/721810722.db2.gz OCZKRNMYDBHWKN-RZTXVSJASA-N 1 0 456.594 3.495 20 0 JGADRO CCOC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)CC1 ZINC001165026448 721817641 /nfs/dbraw/zinc/81/76/41/721817641.db2.gz QMCLIIMGXSOYDO-OEMFJLHTSA-N 1 0 478.641 3.388 20 0 JGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)C1 ZINC001165025155 721824221 /nfs/dbraw/zinc/82/42/21/721824221.db2.gz MCAWUFDSIKXTCT-DVKRWUGUSA-N 1 0 478.641 3.388 20 0 JGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ncc2N2CCOCC2)CC1 ZINC001165020245 721841205 /nfs/dbraw/zinc/84/12/05/721841205.db2.gz AVJGWXJFDPLWON-UHFFFAOYSA-N 1 0 461.994 3.085 20 0 JGADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nn2)C1 ZINC001165022673 721843831 /nfs/dbraw/zinc/84/38/31/721843831.db2.gz RTGGMHCSNBKMAT-HXUWFJFHSA-N 1 0 497.640 3.374 20 0 JGADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(CN3C(=O)NC(C)(C)C3=O)cn2)CC1 ZINC001165021976 721843868 /nfs/dbraw/zinc/84/38/68/721843868.db2.gz KPEUFARNVRRAOC-UHFFFAOYSA-N 1 0 481.597 3.030 20 0 JGADRO CCOC(=O)[C@H]1CCCN(c2ccc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nn2)C1 ZINC001165022671 721843924 /nfs/dbraw/zinc/84/39/24/721843924.db2.gz RTGGMHCSNBKMAT-FQEVSTJZSA-N 1 0 497.640 3.374 20 0 JGADRO COc1nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(N2CCCCCC2)n1 ZINC001164939690 721930567 /nfs/dbraw/zinc/93/05/67/721930567.db2.gz OOLRPJYHUXXXCX-UHFFFAOYSA-N 1 0 466.630 3.440 20 0 JGADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164945222 721941499 /nfs/dbraw/zinc/94/14/99/721941499.db2.gz TWWJDQWMXCGKSR-IZZNHLLZSA-N 1 0 459.594 3.334 20 0 JGADRO O=C([C@H]1COc2ccccc2O1)N1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001165047781 721981838 /nfs/dbraw/zinc/98/18/38/721981838.db2.gz AAXQXFDKMAFVQA-OAQYLSRUSA-N 1 0 490.938 3.145 20 0 JGADRO Cc1nc(Cn2c(=O)ccc3c2CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)cs1 ZINC001164951051 722007416 /nfs/dbraw/zinc/00/74/16/722007416.db2.gz GKLVWYQZHDBTJW-UHFFFAOYSA-N 1 0 465.623 3.136 20 0 JGADRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2cccc(N4CC[NH+](C)CC4)n2)C3)n1 ZINC001164963893 722026833 /nfs/dbraw/zinc/02/68/33/722026833.db2.gz UPDODRNSIFHSTP-BVAGGSTKSA-N 1 0 451.615 3.129 20 0 JGADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)nc1 ZINC001164958302 722045800 /nfs/dbraw/zinc/04/58/00/722045800.db2.gz MQYRQZCPQDOQET-GOTSBHOMSA-N 1 0 456.631 3.253 20 0 JGADRO C[NH+]1CCN(c2cccc(N3CCC(c4nc5ccc(-c6cccnc6)cn5n4)CC3)n2)CC1 ZINC001164957386 722049794 /nfs/dbraw/zinc/04/97/94/722049794.db2.gz JCFWVAYIFISTEY-UHFFFAOYSA-N 1 0 454.582 3.322 20 0 JGADRO Cc1sc2nc(CN3CCOCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)c2c1C ZINC001164960501 722051376 /nfs/dbraw/zinc/05/13/76/722051376.db2.gz PYVWBWTVGASQNI-REHUZNOOSA-N 1 0 494.665 3.440 20 0 JGADRO Cc1sc2nc(CN3CCOCC3)nc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)c2c1C ZINC001164960502 722051440 /nfs/dbraw/zinc/05/14/40/722051440.db2.gz PYVWBWTVGASQNI-ROKPMTFOSA-N 1 0 494.665 3.440 20 0 JGADRO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959970 722060449 /nfs/dbraw/zinc/06/04/49/722060449.db2.gz BBODJRZVGKPFSR-JOCHJYFZSA-N 1 0 485.938 3.449 20 0 JGADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(C(=O)NC4CCC4)C[C@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164972144 722085332 /nfs/dbraw/zinc/08/53/32/722085332.db2.gz LEZVBKFEJLIQSF-JBACZVJFSA-N 1 0 497.684 3.012 20 0 JGADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981642 722100162 /nfs/dbraw/zinc/10/01/62/722100162.db2.gz LUSSAUHRWQWPBW-IRLDBZIGSA-N 1 0 486.576 3.182 20 0 JGADRO O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980059 722103633 /nfs/dbraw/zinc/10/36/33/722103633.db2.gz JEBUEKLLJJGRKV-NOZRDPDXSA-N 1 0 457.578 3.134 20 0 JGADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975466 722105091 /nfs/dbraw/zinc/10/50/91/722105091.db2.gz BVFQBGISJRPBFR-OALUTQOASA-N 1 0 478.975 3.397 20 0 JGADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975468 722105139 /nfs/dbraw/zinc/10/51/39/722105139.db2.gz BVFQBGISJRPBFR-RTBURBONSA-N 1 0 478.975 3.397 20 0 JGADRO COC(=O)c1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164972599 722109260 /nfs/dbraw/zinc/10/92/60/722109260.db2.gz GDBHROVLSOBUPF-APWZRJJASA-N 1 0 466.916 3.189 20 0 JGADRO COC(=O)c1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164972602 722109314 /nfs/dbraw/zinc/10/93/14/722109314.db2.gz GDBHROVLSOBUPF-LPHOPBHVSA-N 1 0 466.916 3.189 20 0 JGADRO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164971017 722113509 /nfs/dbraw/zinc/11/35/09/722113509.db2.gz BBTXJQSFLSRJRE-QFBILLFUSA-N 1 0 466.916 3.189 20 0 JGADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164983661 722125314 /nfs/dbraw/zinc/12/53/14/722125314.db2.gz YXLPLNORPHHPEQ-AEFFLSMTSA-N 1 0 466.916 3.189 20 0 JGADRO CCOC(=O)c1cc2c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164980405 722127406 /nfs/dbraw/zinc/12/74/06/722127406.db2.gz QZDAANSHFXQZNL-OFNKIYASSA-N 1 0 463.582 3.479 20 0 JGADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164983821 722147234 /nfs/dbraw/zinc/14/72/34/722147234.db2.gz VJZWYBBLMAVRBY-GJZUVCINSA-N 1 0 473.577 3.427 20 0 JGADRO COc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)c(OC)c1OC ZINC001164977975 722150985 /nfs/dbraw/zinc/15/09/85/722150985.db2.gz JAHYPWFHBUCGSE-HYBUGGRVSA-N 1 0 491.592 3.292 20 0 JGADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[C@H]3C2)c1 ZINC001164981561 722151198 /nfs/dbraw/zinc/15/11/98/722151198.db2.gz PJKWPACELFIBJJ-RPLLCQBOSA-N 1 0 486.620 3.103 20 0 JGADRO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[C@@H]32)cs1 ZINC001164988561 722186624 /nfs/dbraw/zinc/18/66/24/722186624.db2.gz MUPXPQMJYDPIRP-GOTSBHOMSA-N 1 0 457.644 3.095 20 0 JGADRO COC(=O)C1CCN(c2nccnc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001164994119 722204485 /nfs/dbraw/zinc/20/44/85/722204485.db2.gz GCZYBJUJLAVNKX-VWLOTQADSA-N 1 0 453.562 3.250 20 0 JGADRO COC(=O)C1CCN(c2nccnc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)CC1 ZINC001164994117 722204534 /nfs/dbraw/zinc/20/45/34/722204534.db2.gz GCZYBJUJLAVNKX-RUZDIDTESA-N 1 0 453.562 3.250 20 0 JGADRO COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]1Cc1cnn(C)c1 ZINC001165000561 722225784 /nfs/dbraw/zinc/22/57/84/722225784.db2.gz UFMVKMCBJUYRIC-RTWAWAEBSA-N 1 0 481.975 3.243 20 0 JGADRO COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]1Cc1cnn(C)c1 ZINC001165000557 722225849 /nfs/dbraw/zinc/22/58/49/722225849.db2.gz UFMVKMCBJUYRIC-LEWJYISDSA-N 1 0 481.975 3.243 20 0 JGADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@H]3C2)nc1 ZINC001165006056 722244637 /nfs/dbraw/zinc/24/46/37/722244637.db2.gz WXXXCQZNLCKEOT-ZDXQCDESSA-N 1 0 451.615 3.335 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CCC2 ZINC001165000249 722252361 /nfs/dbraw/zinc/25/23/61/722252361.db2.gz MSYKEMOBICRCTQ-UHFFFAOYSA-N 1 0 482.032 3.331 20 0 JGADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CCC2 ZINC001165003726 722257925 /nfs/dbraw/zinc/25/79/25/722257925.db2.gz GTAHAGCFAYZYOM-UHFFFAOYSA-N 1 0 450.317 3.498 20 0 JGADRO