smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[NH+](C)C)cc1OC ZINC001311350592 1069337176 /nfs/dbraw/zinc/33/71/76/1069337176.db2.gz VTOCYPYDICQDDR-WMZHIEFXSA-N 2 0 454.615 3.831 20 0 JHADRP CN(C(=O)NCc1ccccc1COCc1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001311360041 1069344158 /nfs/dbraw/zinc/34/41/58/1069344158.db2.gz JFMOUGHFBBWQLK-SANMLTNESA-N 2 0 450.627 3.713 20 0 JHADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)CC2)c1 ZINC001311379588 1069352909 /nfs/dbraw/zinc/35/29/09/1069352909.db2.gz BEABHMCVTBNDHY-QHCPKHFHSA-N 2 0 451.659 3.936 20 0 JHADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001311479669 1069397147 /nfs/dbraw/zinc/39/71/47/1069397147.db2.gz DDXICKSIUNHNJD-UHFFFAOYSA-N 2 0 456.034 3.911 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001306677938 1069402543 /nfs/dbraw/zinc/40/25/43/1069402543.db2.gz FXPGXFDRYAUGDV-GGAORHGYSA-N 2 0 487.737 3.688 20 0 JHADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306725687 1069467235 /nfs/dbraw/zinc/46/72/35/1069467235.db2.gz GRISFVQOGYPAAF-DEOSSOPVSA-N 2 0 453.679 3.839 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCSCC2)C1 ZINC001306781125 1069578963 /nfs/dbraw/zinc/57/89/63/1069578963.db2.gz RVKJQPLIPIQECG-LJQANCHMSA-N 2 0 463.095 3.815 20 0 JHADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC001311966221 1069641268 /nfs/dbraw/zinc/64/12/68/1069641268.db2.gz YNHSJBZJRKHPHR-UKILVPOCSA-N 2 0 456.675 3.920 20 0 JHADRP CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC001307029676 1069737181 /nfs/dbraw/zinc/73/71/81/1069737181.db2.gz PZKIVDMOMPBGTJ-NRFANRHFSA-N 2 0 487.737 3.629 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC([NH+](CC)CC)CC2)C1 ZINC001307032030 1069743218 /nfs/dbraw/zinc/74/32/18/1069743218.db2.gz QFNPZMUFWLMGEF-OAQYLSRUSA-N 2 0 454.663 3.996 20 0 JHADRP CC(C)[C@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001312176973 1069767000 /nfs/dbraw/zinc/76/70/00/1069767000.db2.gz DVCSKAXPTCWJGU-RUZDIDTESA-N 2 0 456.675 3.821 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(C(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001307048418 1069794037 /nfs/dbraw/zinc/79/40/37/1069794037.db2.gz BLUXPAWHVNOFEH-HSZRJFAPSA-N 2 0 467.706 3.923 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001307048959 1069795518 /nfs/dbraw/zinc/79/55/18/1069795518.db2.gz DMSIKPMNHQVPLX-XMMPIXPASA-N 2 0 468.690 3.921 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001307048874 1069795604 /nfs/dbraw/zinc/79/56/04/1069795604.db2.gz ALISJZFXYBIQDU-QHCPKHFHSA-N 2 0 481.733 3.838 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001307051129 1069803025 /nfs/dbraw/zinc/80/30/25/1069803025.db2.gz XPCWHKZXPHJTKK-FDJWOJMMSA-N 2 0 490.737 3.751 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001307052325 1069807607 /nfs/dbraw/zinc/80/76/07/1069807607.db2.gz XOBMNITVOZHRGB-NRFANRHFSA-N 2 0 454.667 3.700 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001307054282 1069816114 /nfs/dbraw/zinc/81/61/14/1069816114.db2.gz WWAHXYBSBNDSBQ-OAQYLSRUSA-N 2 0 484.737 3.961 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001307054281 1069816386 /nfs/dbraw/zinc/81/63/86/1069816386.db2.gz WWAHXYBSBNDSBQ-NRFANRHFSA-N 2 0 484.737 3.961 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307056282 1069826544 /nfs/dbraw/zinc/82/65/44/1069826544.db2.gz SBUUBIKNHRFFKW-XJUOHMSHSA-N 2 0 476.710 3.718 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC001312322087 1069862814 /nfs/dbraw/zinc/86/28/14/1069862814.db2.gz VXXMDAWFABHAEG-QFBILLFUSA-N 2 0 457.432 3.577 20 0 JHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC001312322084 1069863089 /nfs/dbraw/zinc/86/30/89/1069863089.db2.gz VXXMDAWFABHAEG-LPHOPBHVSA-N 2 0 457.432 3.577 20 0 JHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001307413270 1069972709 /nfs/dbraw/zinc/97/27/09/1069972709.db2.gz KNHJGMRZXWLCDO-NRFANRHFSA-N 2 0 452.684 3.584 20 0 JHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307592072 1070069475 /nfs/dbraw/zinc/06/94/75/1070069475.db2.gz JKHUDUVZIINFON-OAQYLSRUSA-N 2 0 452.437 3.773 20 0 JHADRP CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001314302430 1070087383 /nfs/dbraw/zinc/08/73/83/1070087383.db2.gz IUMMXRDUUPNDHA-FYYLOGMGSA-N 2 0 454.663 3.788 20 0 JHADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001307669888 1070113529 /nfs/dbraw/zinc/11/35/29/1070113529.db2.gz KCJIPUCIGKPDLW-NZQKXSOJSA-N 2 0 458.647 3.524 20 0 JHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC001313074646 1070241814 /nfs/dbraw/zinc/24/18/14/1070241814.db2.gz NWLPXTMEHABZEN-DPVXCJKMSA-N 2 0 451.453 3.910 20 0 JHADRP C[NH+]1CCC(O)(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 ZINC001308280955 1070351231 /nfs/dbraw/zinc/35/12/31/1070351231.db2.gz CBCGJNWXDZZPPT-UHFFFAOYSA-N 2 0 455.400 3.848 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001313446349 1070362651 /nfs/dbraw/zinc/36/26/51/1070362651.db2.gz BBHDWMGAFIJJEF-URXFXBBRSA-N 2 0 454.663 3.539 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001313446344 1070362741 /nfs/dbraw/zinc/36/27/41/1070362741.db2.gz BBHDWMGAFIJJEF-QPPBQGQZSA-N 2 0 454.663 3.539 20 0 JHADRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3c(C(=O)OC(C)(C)C)cnn3C)cc2)C[C@H]1C ZINC001308352479 1070360642 /nfs/dbraw/zinc/36/06/42/1070360642.db2.gz DNADYAWWUKZNNC-WOJBJXKFSA-N 2 0 456.631 3.674 20 0 JHADRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3c(C(=O)OC(C)(C)C)cnn3C)cc2)C[C@H]1C ZINC001308352475 1070360889 /nfs/dbraw/zinc/36/08/89/1070360889.db2.gz DNADYAWWUKZNNC-BGYRXZFFSA-N 2 0 456.631 3.674 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001313447113 1070365448 /nfs/dbraw/zinc/36/54/48/1070365448.db2.gz IVMWYVXXIZHHAN-ONTIZHBOSA-N 2 0 470.662 3.756 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[NH+](C(C)C)CC2)c1 ZINC001313576214 1070692681 /nfs/dbraw/zinc/69/26/81/1070692681.db2.gz WOWATHDSVIZIKW-UHFFFAOYSA-N 2 0 461.658 3.684 20 0 JHADRP C[NH+](C)C1(Cn2c(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CCOCC1 ZINC001314661623 1070786431 /nfs/dbraw/zinc/78/64/31/1070786431.db2.gz YWKWZBBPUYCUSG-UHFFFAOYSA-N 2 0 472.653 3.538 20 0 JHADRP CN(C)CC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001314669719 1070809220 /nfs/dbraw/zinc/80/92/20/1070809220.db2.gz IRVVGZKMHONNCN-UHFFFAOYSA-N 2 0 499.723 3.916 20 0 JHADRP Cn1cccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001314668892 1070806261 /nfs/dbraw/zinc/80/62/61/1070806261.db2.gz SGXUGUJKUCIUTR-UHFFFAOYSA-N 2 0 479.673 3.583 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001313656556 1070850309 /nfs/dbraw/zinc/85/03/09/1070850309.db2.gz JJNAFJRJTZPBCM-RTWAWAEBSA-N 2 0 475.081 3.877 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313669838 1070895438 /nfs/dbraw/zinc/89/54/38/1070895438.db2.gz DQUMOUCDAFRJJQ-NJYVYQBISA-N 2 0 451.663 3.999 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001313691536 1070951226 /nfs/dbraw/zinc/95/12/26/1070951226.db2.gz ORUZNRRYMOYPDG-UHFFFAOYSA-N 2 0 479.673 3.720 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001313694910 1070957372 /nfs/dbraw/zinc/95/73/72/1070957372.db2.gz XWQXSRAAAMRZIH-JOCHJYFZSA-N 2 0 453.679 3.839 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001313696494 1070963109 /nfs/dbraw/zinc/96/31/09/1070963109.db2.gz WLGLSKVYYHUXNO-UHFFFAOYSA-N 2 0 481.733 3.838 20 0 JHADRP CC[NH+](CC)Cc1ccccc1Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313705824 1070995055 /nfs/dbraw/zinc/99/50/55/1070995055.db2.gz VLLDTCYOSOMHFM-UHFFFAOYSA-N 2 0 463.674 3.952 20 0 JHADRP CC[NH+](CC)CCOCCn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313717883 1071017898 /nfs/dbraw/zinc/01/78/98/1071017898.db2.gz KRLAFSIWSLVTNM-UHFFFAOYSA-N 2 0 456.679 3.923 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001313724257 1071030218 /nfs/dbraw/zinc/03/02/18/1071030218.db2.gz PMSSWTDQPKYXTP-HSZRJFAPSA-N 2 0 499.723 3.733 20 0 JHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)c(C)c2)CC1 ZINC001310018993 1071064024 /nfs/dbraw/zinc/06/40/24/1071064024.db2.gz JCCIZPGTFYTWBX-NRFANRHFSA-N 2 0 450.631 3.879 20 0 JHADRP CC[N@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313802923 1071209825 /nfs/dbraw/zinc/20/98/25/1071209825.db2.gz KUPPIDUUHNXESU-JOCHJYFZSA-N 2 0 470.662 3.757 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CC(C)C)CC1)CCC(F)(F)F ZINC001313807646 1071229280 /nfs/dbraw/zinc/22/92/80/1071229280.db2.gz UIOYDTGKSQQVOQ-UHFFFAOYSA-N 2 0 496.578 3.726 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313859338 1071363647 /nfs/dbraw/zinc/36/36/47/1071363647.db2.gz GABJVPTUNUCMDZ-MOPGFXCFSA-N 2 0 492.615 3.576 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CC=CCC2)C[C@@H]1C ZINC001313859712 1071364682 /nfs/dbraw/zinc/36/46/82/1071364682.db2.gz GXSMGEMJVKTIEM-PCCBWWKXSA-N 2 0 456.610 3.738 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001313871102 1071415772 /nfs/dbraw/zinc/41/57/72/1071415772.db2.gz WWGLXJFHSRIYGL-NHCUHLMSSA-N 2 0 451.663 3.788 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313871560 1071417321 /nfs/dbraw/zinc/41/73/21/1071417321.db2.gz UKPLFYBWCMWGRR-MSOLQXFVSA-N 2 0 479.044 3.767 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313874471 1071428849 /nfs/dbraw/zinc/42/88/49/1071428849.db2.gz IARCCWFNDZDACS-UFPGJGBJSA-N 2 0 486.730 3.830 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313874844 1071431346 /nfs/dbraw/zinc/43/13/46/1071431346.db2.gz OFRNEIQPUDGUOO-ZRBLBEILSA-N 2 0 461.658 3.703 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313875971 1071436891 /nfs/dbraw/zinc/43/68/91/1071436891.db2.gz NFXCDJLVQMZGNC-ZFGGDYGUSA-N 2 0 454.663 3.733 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313875968 1071436721 /nfs/dbraw/zinc/43/67/21/1071436721.db2.gz NFXCDJLVQMZGNC-AWRGLXIESA-N 2 0 454.663 3.733 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313875969 1071436795 /nfs/dbraw/zinc/43/67/95/1071436795.db2.gz NFXCDJLVQMZGNC-DPLHUUCSSA-N 2 0 454.663 3.733 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001313877373 1071441711 /nfs/dbraw/zinc/44/17/11/1071441711.db2.gz STQYYKWQZPDFEH-DPLHUUCSSA-N 2 0 468.690 3.917 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313886350 1071470884 /nfs/dbraw/zinc/47/08/84/1071470884.db2.gz SDDBZHKJBWINMZ-FGZHOGPDSA-N 2 0 470.662 3.517 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313886869 1071471657 /nfs/dbraw/zinc/47/16/57/1071471657.db2.gz BYWHVODTJGJWBC-IBGZPJMESA-N 2 0 475.479 3.970 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001313892211 1071486388 /nfs/dbraw/zinc/48/63/88/1071486388.db2.gz CFQJTNLNAYIDHF-HSZRJFAPSA-N 2 0 454.663 3.995 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001313894909 1071494900 /nfs/dbraw/zinc/49/49/00/1071494900.db2.gz JOTALOMPTSEEOO-OAQYLSRUSA-N 2 0 454.663 3.530 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313896946 1071501442 /nfs/dbraw/zinc/50/14/42/1071501442.db2.gz RWVODXZRSSPPGD-HSZRJFAPSA-N 2 0 468.690 3.776 20 0 JHADRP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313904696 1071519334 /nfs/dbraw/zinc/51/93/34/1071519334.db2.gz KSVCTYJEOMRGCR-FQEVSTJZSA-N 2 0 492.510 3.887 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313907009 1071525794 /nfs/dbraw/zinc/52/57/94/1071525794.db2.gz VIUXAVCNEMKYFP-FQEVSTJZSA-N 2 0 458.676 3.594 20 0 JHADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001313944719 1071625005 /nfs/dbraw/zinc/62/50/05/1071625005.db2.gz GECWDWQRPGMCRW-HSZRJFAPSA-N 2 0 474.097 3.545 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313949372 1071635779 /nfs/dbraw/zinc/63/57/79/1071635779.db2.gz PHMWMFPTJJTYQB-DHIUTWEWSA-N 2 0 486.730 3.766 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313951965 1071643596 /nfs/dbraw/zinc/64/35/96/1071643596.db2.gz WTFFRTSLEROHFU-XMMPIXPASA-N 2 0 481.733 3.777 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)CCOC1 ZINC001314125185 1072032133 /nfs/dbraw/zinc/03/21/33/1072032133.db2.gz OPNOVSBBDLNBJW-HHHXNRCGSA-N 2 0 490.737 3.753 20 0 JHADRP CCc1ccc(-c2nnc(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001305934713 1068235653 /nfs/dbraw/zinc/23/56/53/1068235653.db2.gz DJVAGXHNTZIEDM-FDFHNCONSA-N 2 0 468.690 3.783 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001305985073 1068334185 /nfs/dbraw/zinc/33/41/85/1068334185.db2.gz DOWYKQDBLFZDIV-NHCUHLMSSA-N 2 0 454.663 3.680 20 0 JHADRP CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC001306319826 1068746657 /nfs/dbraw/zinc/74/66/57/1068746657.db2.gz NMYNTAJWPLPOLP-YADHBBJMSA-N 2 0 458.651 3.658 20 0 JHADRP CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306427386 1068922762 /nfs/dbraw/zinc/92/27/62/1068922762.db2.gz PNFVKALOOGRTAS-UBFVSLLYSA-N 2 0 484.689 3.678 20 0 JHADRP CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC001306440635 1068948364 /nfs/dbraw/zinc/94/83/64/1068948364.db2.gz OAMLIXKOHLSKQS-HSZRJFAPSA-N 2 0 486.680 3.820 20 0 JHADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164813528 720206055 /nfs/dbraw/zinc/20/60/55/720206055.db2.gz QUAVIRJVCZPHIS-NFBKMPQASA-N 2 0 467.004 3.841 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164842349 720707354 /nfs/dbraw/zinc/70/73/54/720707354.db2.gz YRZAHDKIDQKZML-XMMPIXPASA-N 2 0 450.627 3.816 20 0 JHADRP c1ncn(C[C@@H]2C[C@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745200 720850314 /nfs/dbraw/zinc/85/03/14/720850314.db2.gz MPJPVXWGDVUPTB-SONWIMMPSA-N 2 0 457.626 3.806 20 0 JHADRP COc1cc2cc[nH+]c(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2cc1OC ZINC001164780020 721352212 /nfs/dbraw/zinc/35/22/12/721352212.db2.gz YMBMZLOUDKMYHL-AREMUKBSSA-N 2 0 466.582 3.976 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@]4(CCC[C@H]4COCc4ccncc4)C3)c2)CC1 ZINC001164781912 721386844 /nfs/dbraw/zinc/38/68/44/721386844.db2.gz KXDRKZHUHVCGFE-BKMJKUGQSA-N 2 0 452.599 3.542 20 0 JHADRP CCOC(=O)c1c[nH]c2cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]cc12 ZINC001164906189 721722066 /nfs/dbraw/zinc/72/20/66/721722066.db2.gz KRVFNAJODFAJFQ-HSZRJFAPSA-N 2 0 455.509 3.872 20 0 JHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC3)C2)cc1 ZINC001164938951 721923749 /nfs/dbraw/zinc/92/37/49/721923749.db2.gz CTZNXYFOXAIKCC-UHFFFAOYSA-N 2 0 456.034 3.777 20 0 JHADRP Cc1cncc(COCc2cnc3n2CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)[C@@H]3C)c1 ZINC001164964437 722063318 /nfs/dbraw/zinc/06/33/18/722063318.db2.gz GSHKGAJYUPEIKV-HXUWFJFHSA-N 2 0 462.598 3.753 20 0 JHADRP c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@H]5C[NH+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974947 722109149 /nfs/dbraw/zinc/10/91/49/722109149.db2.gz JDIRNMNLTIBDSD-IAPPQJPRSA-N 2 0 469.633 3.762 20 0 JHADRP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306626479 1069322202 /nfs/dbraw/zinc/32/22/02/1069322202.db2.gz YYUBHOHFRWTOCE-YCAMKHIRSA-N 2 0 476.710 3.577 20 0 JHADRP CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC001306633427 1069336467 /nfs/dbraw/zinc/33/64/67/1069336467.db2.gz BMWAYSZNOHNAEL-OLKYXYMISA-N 2 0 490.737 3.618 20 0 JHADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001311440195 1069381033 /nfs/dbraw/zinc/38/10/33/1069381033.db2.gz CGQWZTKFBZXVNB-CLJLJLNGSA-N 2 0 458.691 3.718 20 0 JHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC001311497917 1069406950 /nfs/dbraw/zinc/40/69/50/1069406950.db2.gz SGCQHZLBVWKYPC-RLWLMLJZSA-N 2 0 450.627 3.627 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001306681244 1069409882 /nfs/dbraw/zinc/40/98/82/1069409882.db2.gz UNMQJXKANNCTRL-XZOQPEGZSA-N 2 0 487.737 3.583 20 0 JHADRP CCC(CC)[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC001311536589 1069429055 /nfs/dbraw/zinc/42/90/55/1069429055.db2.gz XNKZYBFEGKHDSB-LEWJYISDSA-N 2 0 458.569 3.744 20 0 JHADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306725765 1069466913 /nfs/dbraw/zinc/46/69/13/1069466913.db2.gz HHJCTGGPSZRJML-DEOSSOPVSA-N 2 0 453.679 3.885 20 0 JHADRP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)cc1 ZINC001311758455 1069534922 /nfs/dbraw/zinc/53/49/22/1069534922.db2.gz LWYMRGDDRPUWFK-LVXARBLLSA-N 2 0 450.627 3.727 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001306781171 1069578996 /nfs/dbraw/zinc/57/89/96/1069578996.db2.gz HNKXDPZQYKHSIH-BHIFYINESA-N 2 0 491.725 3.511 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001306784909 1069585919 /nfs/dbraw/zinc/58/59/19/1069585919.db2.gz OZQXIQXEJZSQOA-PZJWPPBQSA-N 2 0 453.660 3.873 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001306808455 1069625029 /nfs/dbraw/zinc/62/50/29/1069625029.db2.gz MDWIKRFYRBTZRM-YSFYHYPLSA-N 2 0 491.725 3.700 20 0 JHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001311956049 1069634621 /nfs/dbraw/zinc/63/46/21/1069634621.db2.gz FXHQKLXSOQIUPC-WIOPSUGQSA-N 2 0 450.627 3.729 20 0 JHADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC001311958109 1069636571 /nfs/dbraw/zinc/63/65/71/1069636571.db2.gz ZAICCYDWZINZKG-UHFFFAOYSA-N 2 0 450.627 3.887 20 0 JHADRP CCC[NH+]1CCC(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001307033889 1069748847 /nfs/dbraw/zinc/74/88/47/1069748847.db2.gz NMRARRBQAQYLOS-HXUWFJFHSA-N 2 0 470.662 3.615 20 0 JHADRP CCC[NH+]1CCC(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC([NH+](CC)CC)CC2)CC1 ZINC001307041332 1069768505 /nfs/dbraw/zinc/76/85/05/1069768505.db2.gz IBXJPOJKMYTJDL-UHFFFAOYSA-N 2 0 470.710 3.572 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)C)CC2)C1 ZINC001307046194 1069784579 /nfs/dbraw/zinc/78/45/79/1069784579.db2.gz PFLWSAOIMAZIDJ-FQEVSTJZSA-N 2 0 461.054 3.773 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(CC[NH+](C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046960 1069787263 /nfs/dbraw/zinc/78/72/63/1069787263.db2.gz OVMTWVXYIOFFDH-VWLOTQADSA-N 2 0 481.733 3.562 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001307048778 1069794813 /nfs/dbraw/zinc/79/48/13/1069794813.db2.gz YRSFNZXNDKNALY-QFIPXVFZSA-N 2 0 486.680 3.820 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001307057639 1069835537 /nfs/dbraw/zinc/83/55/37/1069835537.db2.gz WLUDQDXIYXEUEC-VWNXMTODSA-N 2 0 454.663 3.786 20 0 JHADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC001312500282 1069975874 /nfs/dbraw/zinc/97/58/74/1069975874.db2.gz OTBVIVXBZYJCAB-AZGAKELHSA-N 2 0 458.691 3.862 20 0 JHADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001307669890 1070114560 /nfs/dbraw/zinc/11/45/60/1070114560.db2.gz KCJIPUCIGKPDLW-REWPJTCUSA-N 2 0 458.647 3.524 20 0 JHADRP CCOCc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001314378219 1070221251 /nfs/dbraw/zinc/22/12/51/1070221251.db2.gz JRPBKUANTOOWOB-QHCPKHFHSA-N 2 0 472.653 3.786 20 0 JHADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(Cl)c1OCC(N)=O ZINC001308344173 1070359465 /nfs/dbraw/zinc/35/94/65/1070359465.db2.gz XRUVCOGSXVJKOE-TUNNFDKTSA-N 2 0 458.002 3.603 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1CC ZINC001314499154 1070426216 /nfs/dbraw/zinc/42/62/16/1070426216.db2.gz MEIUWDATVCBVLL-XQUALCHDSA-N 2 0 476.710 3.577 20 0 JHADRP C[NH+](C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccco1 ZINC001314648847 1070753655 /nfs/dbraw/zinc/75/36/55/1070753655.db2.gz JIXMYVIZXOIRLQ-OAQYLSRUSA-N 2 0 451.619 3.794 20 0 JHADRP C[NH+](C)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001314661367 1070786353 /nfs/dbraw/zinc/78/63/53/1070786353.db2.gz XHYWMIHHVYPBMU-NHCUHLMSSA-N 2 0 460.711 3.992 20 0 JHADRP Cn1cccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001314668867 1070806315 /nfs/dbraw/zinc/80/63/15/1070806315.db2.gz RNWQDHUBJDJAFK-UHFFFAOYSA-N 2 0 493.700 3.831 20 0 JHADRP CN(c1nnc(C(C)(C)C)n1CCN1CC[NH+](C)C(C)(C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314676245 1070821454 /nfs/dbraw/zinc/82/14/54/1070821454.db2.gz ASWBVSHWROXKHR-DEOSSOPVSA-N 2 0 481.733 3.702 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313656233 1070849594 /nfs/dbraw/zinc/84/95/94/1070849594.db2.gz HLKFGKIRNZWJBH-QUCCMNQESA-N 2 0 462.589 3.951 20 0 JHADRP CC[N@@H+]1CCCN(S(=O)(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC001309570382 1070864015 /nfs/dbraw/zinc/86/40/15/1070864015.db2.gz KJQYXCZULUWRAX-KSNOWIBYSA-N 2 0 459.631 3.540 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccsc1 ZINC001313666868 1070886995 /nfs/dbraw/zinc/88/69/95/1070886995.db2.gz YFKLZLUBSOLJGK-NKKJXINNSA-N 2 0 484.718 3.984 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001313675759 1070918110 /nfs/dbraw/zinc/91/81/10/1070918110.db2.gz BIEWIFBXKKFVEW-RPWUZVMVSA-N 2 0 454.663 3.786 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676777 1070922816 /nfs/dbraw/zinc/92/28/16/1070922816.db2.gz ZJRQPECLVCLYBJ-XMMPIXPASA-N 2 0 468.690 3.960 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001313677416 1070925280 /nfs/dbraw/zinc/92/52/80/1070925280.db2.gz KFBVFHUGNQCBPO-BJKOFHAPSA-N 2 0 454.663 3.643 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001313693493 1070954794 /nfs/dbraw/zinc/95/47/94/1070954794.db2.gz AFIQLCARCQBRIZ-DEOSSOPVSA-N 2 0 454.663 3.940 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001313694172 1070955985 /nfs/dbraw/zinc/95/59/85/1070955985.db2.gz PRTQMWQGABCMGR-HSZRJFAPSA-N 2 0 453.679 3.695 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001313694912 1070957276 /nfs/dbraw/zinc/95/72/76/1070957276.db2.gz XWQXSRAAAMRZIH-QFIPXVFZSA-N 2 0 453.679 3.839 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001313695269 1070959299 /nfs/dbraw/zinc/95/92/99/1070959299.db2.gz LDKIRWMQZNRZIO-QFIPXVFZSA-N 2 0 451.619 3.855 20 0 JHADRP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313703826 1070988472 /nfs/dbraw/zinc/98/84/72/1070988472.db2.gz GSDXLVHHKNZMHF-AWRGLXIESA-N 2 0 454.663 3.591 20 0 JHADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001313704017 1070989249 /nfs/dbraw/zinc/98/92/49/1070989249.db2.gz KYYHLDXUKWPJSX-VWLOTQADSA-N 2 0 495.716 3.537 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001313712221 1071008085 /nfs/dbraw/zinc/00/80/85/1071008085.db2.gz KZOQGOVRIRWNHZ-UHFFFAOYSA-N 2 0 475.479 3.972 20 0 JHADRP CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313715400 1071014069 /nfs/dbraw/zinc/01/40/69/1071014069.db2.gz ATCDOGUFTPNRMR-FQEVSTJZSA-N 2 0 490.643 3.569 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313724329 1071030547 /nfs/dbraw/zinc/03/05/47/1071030547.db2.gz QDWXMIXUUOJXOJ-IRLDBZIGSA-N 2 0 470.662 3.757 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC001310151302 1071157404 /nfs/dbraw/zinc/15/74/04/1071157404.db2.gz RJARFWURNBLOSW-HSZRJFAPSA-N 2 0 457.663 3.747 20 0 JHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC001310151303 1071157413 /nfs/dbraw/zinc/15/74/13/1071157413.db2.gz RJARFWURNBLOSW-QHCPKHFHSA-N 2 0 457.663 3.747 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313811942 1071248709 /nfs/dbraw/zinc/24/87/09/1071248709.db2.gz MVMRQEVCTZFICA-OAQYLSRUSA-N 2 0 470.662 3.757 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313860451 1071370269 /nfs/dbraw/zinc/37/02/69/1071370269.db2.gz KZOGXBKBQQOQIF-URVUXULASA-N 2 0 472.678 3.858 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313868651 1071405386 /nfs/dbraw/zinc/40/53/86/1071405386.db2.gz VPXQMRSJRIMKNL-SCPDWHHUSA-N 2 0 453.679 3.935 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313874279 1071427935 /nfs/dbraw/zinc/42/79/35/1071427935.db2.gz OLDXICNOYCZGHE-FUPPJEDESA-N 2 0 454.663 3.993 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313873623 1071425753 /nfs/dbraw/zinc/42/57/53/1071425753.db2.gz MOUCJIBBNPLHOL-UXHICEINSA-N 2 0 472.703 3.700 20 0 JHADRP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313879267 1071449494 /nfs/dbraw/zinc/44/94/94/1071449494.db2.gz ZSNWATMVZIYPGK-FUPPJEDESA-N 2 0 454.663 3.671 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001313906630 1071524914 /nfs/dbraw/zinc/52/49/14/1071524914.db2.gz YCBPETPDTIROQV-YPAWHYETSA-N 2 0 488.652 3.589 20 0 JHADRP CC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001313914729 1071548537 /nfs/dbraw/zinc/54/85/37/1071548537.db2.gz UGXRCSSJQZEVBT-UMXIMWEHSA-N 2 0 470.710 3.604 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919437 1071556898 /nfs/dbraw/zinc/55/68/98/1071556898.db2.gz BMIHBPFGFYRTGF-RPWUZVMVSA-N 2 0 473.754 3.908 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313925383 1071573494 /nfs/dbraw/zinc/57/34/94/1071573494.db2.gz PHRUQGFHDBHPOT-AQNXPRMDSA-N 2 0 492.087 3.683 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313928482 1071583868 /nfs/dbraw/zinc/58/38/68/1071583868.db2.gz PJIFABVDAFBNOY-QHCPKHFHSA-N 2 0 499.723 3.592 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC001313930236 1071588872 /nfs/dbraw/zinc/58/88/72/1071588872.db2.gz AKYMXNWNPQBOPB-LAUBAEHRSA-N 2 0 486.462 3.869 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313932011 1071594176 /nfs/dbraw/zinc/59/41/76/1071594176.db2.gz GQVWCVFUQOHCOJ-KSZLIROESA-N 2 0 478.483 3.687 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933178 1071597260 /nfs/dbraw/zinc/59/72/60/1071597260.db2.gz YFCYAQCOBCXBEM-JWQCQUIFSA-N 2 0 487.781 3.841 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313933879 1071599783 /nfs/dbraw/zinc/59/97/83/1071599783.db2.gz OBQLTFMNJGDHJW-KRWDZBQOSA-N 2 0 478.483 3.831 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313941474 1071617417 /nfs/dbraw/zinc/61/74/17/1071617417.db2.gz UYMNSUXKJISSAI-PKTZIBPZSA-N 2 0 468.690 3.867 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941961 1071618931 /nfs/dbraw/zinc/61/89/31/1071618931.db2.gz FRWJCEXUQUAEFV-KMDXXIMOSA-N 2 0 484.689 3.504 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313946873 1071630440 /nfs/dbraw/zinc/63/04/40/1071630440.db2.gz DQHAPBLQHZYMNZ-FKBYEOEOSA-N 2 0 489.709 3.612 20 0 JHADRP CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313955155 1071654751 /nfs/dbraw/zinc/65/47/51/1071654751.db2.gz XZISSGNCIGHOBV-RPBOFIJWSA-N 2 0 481.733 3.514 20 0 JHADRP CCc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCC[NH+]2CCN(CC)CC2)cc1 ZINC001305947425 1068264322 /nfs/dbraw/zinc/26/43/22/1068264322.db2.gz QDDSHSDIADSMIK-UHFFFAOYSA-N 2 0 481.733 3.846 20 0 JHADRP CCc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306182327 1068573091 /nfs/dbraw/zinc/57/30/91/1068573091.db2.gz FCLCEUSCRQBAGB-VWLOTQADSA-N 2 0 468.690 3.690 20 0 JHADRP CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001306322413 1068753101 /nfs/dbraw/zinc/75/31/01/1068753101.db2.gz GXSQTDJGSAMHCY-HSZRJFAPSA-N 2 0 470.710 3.715 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC2(SC)CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC001306620436 1069306398 /nfs/dbraw/zinc/30/63/98/1069306398.db2.gz OYUCXSMAACWVCF-OAQYLSRUSA-N 2 0 490.718 3.611 20 0 JHADRP CC(C)n1nc(CN(c2nccs2)c2cccc(OCC[NH+]3CCCC3)n2)c2c1C[NH2+]CC2 ZINC001164710773 720091588 /nfs/dbraw/zinc/09/15/88/720091588.db2.gz MIOPEFUOORIJKI-UHFFFAOYSA-N 2 0 467.643 3.774 20 0 JHADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164813530 720205198 /nfs/dbraw/zinc/20/51/98/720205198.db2.gz QUAVIRJVCZPHIS-NZQKXSOJSA-N 2 0 467.004 3.841 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164839309 720727796 /nfs/dbraw/zinc/72/77/96/720727796.db2.gz KUJUEFIPORMKIS-DEOSSOPVSA-N 2 0 450.627 3.720 20 0 JHADRP Clc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c(n1)C[NH2+]CC2 ZINC001164754999 720905803 /nfs/dbraw/zinc/90/58/03/720905803.db2.gz XSXLKROCEWDVAR-LVXARBLLSA-N 2 0 468.045 3.531 20 0 JHADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]cc21 ZINC001164746493 720906827 /nfs/dbraw/zinc/90/68/27/720906827.db2.gz AZAWDNNGSFBIEC-DFHRPNOPSA-N 2 0 489.620 3.890 20 0 JHADRP C[N@H+](Cc1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754608 720919031 /nfs/dbraw/zinc/91/90/31/720919031.db2.gz WEHLQFFUVHHLJD-NAKRPHOHSA-N 2 0 461.654 3.826 20 0 JHADRP COc1cc2cc[nH+]c(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2cc1OC ZINC001164780024 721352306 /nfs/dbraw/zinc/35/23/06/721352306.db2.gz YMBMZLOUDKMYHL-SANMLTNESA-N 2 0 466.582 3.976 20 0 JHADRP CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC[C@H]2C)CC[N@@H+]1CCOC ZINC001306633424 1069336283 /nfs/dbraw/zinc/33/62/83/1069336283.db2.gz BMWAYSZNOHNAEL-MOUTVQLLSA-N 2 0 490.737 3.618 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357382 1069340957 /nfs/dbraw/zinc/34/09/57/1069340957.db2.gz HHBJBCYMGXGGTH-OZXSUGGESA-N 2 0 455.691 3.620 20 0 JHADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC001311379591 1069352938 /nfs/dbraw/zinc/35/29/38/1069352938.db2.gz DGGRXBRHOZORLW-ZEQRLZLVSA-N 2 0 455.691 3.849 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001306679248 1069404439 /nfs/dbraw/zinc/40/44/39/1069404439.db2.gz PQWFFYHBVRAWIN-RUZDIDTESA-N 2 0 473.735 3.669 20 0 JHADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001311497966 1069407518 /nfs/dbraw/zinc/40/75/18/1069407518.db2.gz SHFMDCKHMIXCES-ZUVQJFRASA-N 2 0 450.627 3.758 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001306681228 1069410042 /nfs/dbraw/zinc/41/00/42/1069410042.db2.gz UIIBZNRQGZPLRZ-QFIPXVFZSA-N 2 0 461.743 3.550 20 0 JHADRP CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001306685761 1069421465 /nfs/dbraw/zinc/42/14/65/1069421465.db2.gz KMYSUYYKRGYNQS-DEOSSOPVSA-N 2 0 454.663 3.882 20 0 JHADRP C[C@H]1CCC[C@@](CNC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)([NH+](C)C)C1 ZINC001311651724 1069489241 /nfs/dbraw/zinc/48/92/41/1069489241.db2.gz AFPUGTXHWVFOMU-GBXCKJPGSA-N 2 0 450.071 3.662 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCC2)C1 ZINC001306778696 1069574471 /nfs/dbraw/zinc/57/44/71/1069574471.db2.gz AVQRSUOIUWULLQ-SFHVURJKSA-N 2 0 492.510 3.699 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(CC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001306787379 1069591127 /nfs/dbraw/zinc/59/11/27/1069591127.db2.gz CCCHFHVTJCVGEX-HSZRJFAPSA-N 2 0 453.679 3.956 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001306789412 1069595458 /nfs/dbraw/zinc/59/54/58/1069595458.db2.gz PDNDKULILXLPPA-QHCPKHFHSA-N 2 0 470.710 3.572 20 0 JHADRP CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC001307029677 1069736965 /nfs/dbraw/zinc/73/69/65/1069736965.db2.gz PZKIVDMOMPBGTJ-OAQYLSRUSA-N 2 0 487.737 3.629 20 0 JHADRP CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](CC)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001314197167 1069778501 /nfs/dbraw/zinc/77/85/01/1069778501.db2.gz JZJGIJSXBURXBW-FDFHNCONSA-N 2 0 470.662 3.832 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCCC2)CC1 ZINC001307049916 1069798934 /nfs/dbraw/zinc/79/89/34/1069798934.db2.gz ORZDCRZKRGQNHE-HXUWFJFHSA-N 2 0 458.626 3.964 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001307051913 1069805686 /nfs/dbraw/zinc/80/56/86/1069805686.db2.gz NXMDWOHNYCGLKW-NHCUHLMSSA-N 2 0 468.694 3.802 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001307056283 1069826187 /nfs/dbraw/zinc/82/61/87/1069826187.db2.gz SBUUBIKNHRFFKW-XPNTWCBSSA-N 2 0 476.710 3.718 20 0 JHADRP CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001307526065 1070035119 /nfs/dbraw/zinc/03/51/19/1070035119.db2.gz PZUZLGOZROTVJJ-VWLOTQADSA-N 2 0 452.668 3.770 20 0 JHADRP CN(C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001312672636 1070074128 /nfs/dbraw/zinc/07/41/28/1070074128.db2.gz VSTYGYGRLUCXSH-UHFFFAOYSA-N 2 0 456.553 3.718 20 0 JHADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001307669889 1070113715 /nfs/dbraw/zinc/11/37/15/1070113715.db2.gz KCJIPUCIGKPDLW-OFNKIYASSA-N 2 0 458.647 3.524 20 0 JHADRP CCOCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001314346252 1070151945 /nfs/dbraw/zinc/15/19/45/1070151945.db2.gz GSAFANSQHXALTG-UHFFFAOYSA-N 2 0 460.692 3.755 20 0 JHADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001312887214 1070167965 /nfs/dbraw/zinc/16/79/65/1070167965.db2.gz ZRPLLINUPQSGRB-KWXIBIRDSA-N 2 0 464.654 3.877 20 0 JHADRP CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001307886319 1070225758 /nfs/dbraw/zinc/22/57/58/1070225758.db2.gz QSTMDKFTJZRZNG-VWNXMTODSA-N 2 0 455.643 3.555 20 0 JHADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)C[C@H]1C[NH+](C)C ZINC001313089598 1070247157 /nfs/dbraw/zinc/24/71/57/1070247157.db2.gz HJCWPOUSRYGPAK-RTBURBONSA-N 2 0 479.547 3.774 20 0 JHADRP COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001308303767 1070354194 /nfs/dbraw/zinc/35/41/94/1070354194.db2.gz RHEDPSXZLPEZBQ-UHFFFAOYSA-N 2 0 451.398 3.872 20 0 JHADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC001308332131 1070358058 /nfs/dbraw/zinc/35/80/58/1070358058.db2.gz ZXWGHKOIHFFRGP-XZOQPEGZSA-N 2 0 450.465 3.771 20 0 JHADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(Cc4ccccc4Cl)c3)cc2)CC1 ZINC001308437322 1070375683 /nfs/dbraw/zinc/37/56/83/1070375683.db2.gz QXATWUCYDATTPD-UHFFFAOYSA-N 2 0 452.002 3.572 20 0 JHADRP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC001309294747 1070676665 /nfs/dbraw/zinc/67/66/65/1070676665.db2.gz KREFNUPIOOLHQK-IEZKXTBUSA-N 2 0 457.684 3.859 20 0 JHADRP C[NH+](C)CC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001314662896 1070790438 /nfs/dbraw/zinc/79/04/38/1070790438.db2.gz LVXRICUNNGAQPX-GOSISDBHSA-N 2 0 478.483 3.688 20 0 JHADRP C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001314663732 1070792895 /nfs/dbraw/zinc/79/28/95/1070792895.db2.gz YTHNPWMTQDFTCQ-IBGZPJMESA-N 2 0 479.044 3.626 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313665428 1070880180 /nfs/dbraw/zinc/88/01/80/1070880180.db2.gz DVMKBLNEYUYGRE-GOTSBHOMSA-N 2 0 454.663 3.879 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001313693029 1070954026 /nfs/dbraw/zinc/95/40/26/1070954026.db2.gz GRIBJROLHMRJMI-LJQANCHMSA-N 2 0 459.708 3.676 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001313694369 1070956662 /nfs/dbraw/zinc/95/66/62/1070956662.db2.gz IVTRVCSBAFXTOL-XMMPIXPASA-N 2 0 468.690 3.921 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001313709434 1071002066 /nfs/dbraw/zinc/00/20/66/1071002066.db2.gz DRWWWGPRWAGDBK-VUMQFKOGSA-N 2 0 460.711 3.851 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001313712294 1071008494 /nfs/dbraw/zinc/00/84/94/1071008494.db2.gz KIGFIWIWNTVVET-HSZRJFAPSA-N 2 0 460.711 3.680 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2ccccc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313713627 1071010609 /nfs/dbraw/zinc/01/06/09/1071010609.db2.gz AZGHOKSLUAQZMP-QFIPXVFZSA-N 2 0 454.663 3.675 20 0 JHADRP CC[NH+](CC)CCOCCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313719097 1071019808 /nfs/dbraw/zinc/01/98/08/1071019808.db2.gz XRMVJRGSTPHNFJ-HXUWFJFHSA-N 2 0 461.054 3.631 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001313727755 1071037613 /nfs/dbraw/zinc/03/76/13/1071037613.db2.gz FXUSXYXBXNDAQN-DSNGMDLFSA-N 2 0 481.733 3.998 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001313727816 1071038236 /nfs/dbraw/zinc/03/82/36/1071038236.db2.gz HYZTVADVONJPDP-ILBGXUMGSA-N 2 0 467.706 3.943 20 0 JHADRP C[N@H+](CCCn1c(N2CCC(C[NH+]3CCOCC3)CC2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314855642 1071236977 /nfs/dbraw/zinc/23/69/77/1071236977.db2.gz UFZGMVCZZHKBCZ-UHFFFAOYSA-N 2 0 460.711 3.779 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810755 1071242572 /nfs/dbraw/zinc/24/25/72/1071242572.db2.gz WQTYPIXGKNMOHG-WMZOPIPTSA-N 2 0 485.986 3.941 20 0 JHADRP CC[N@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818915 1071270351 /nfs/dbraw/zinc/27/03/51/1071270351.db2.gz SVDBAAVEVXKAFA-NRFANRHFSA-N 2 0 489.108 3.942 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2CCC[C@@H]2CO)C[C@H]1C ZINC001313859157 1071362458 /nfs/dbraw/zinc/36/24/58/1071362458.db2.gz DYDLSGZBKVTIQQ-ZRCGQRJVSA-N 2 0 475.081 3.754 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001313860249 1071368336 /nfs/dbraw/zinc/36/83/36/1071368336.db2.gz NBFLVXHJUXSLQB-VXKWHMMOSA-N 2 0 481.689 3.941 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313860415 1071369958 /nfs/dbraw/zinc/36/99/58/1071369958.db2.gz KLOQBJMFFYMBKL-QHAWAJNXSA-N 2 0 464.662 3.984 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001313862720 1071378378 /nfs/dbraw/zinc/37/83/78/1071378378.db2.gz QQPVXWQDBDAJKX-SLFFLAALSA-N 2 0 476.666 3.525 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001313862719 1071378647 /nfs/dbraw/zinc/37/86/47/1071378647.db2.gz QQPVXWQDBDAJKX-HSALFYBXSA-N 2 0 476.666 3.525 20 0 JHADRP CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1Cl ZINC001310420211 1071379659 /nfs/dbraw/zinc/37/96/59/1071379659.db2.gz NNEAWAHTLZLRMK-LEWJYISDSA-N 2 0 452.043 3.796 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313868076 1071402621 /nfs/dbraw/zinc/40/26/21/1071402621.db2.gz AIBAVMRTTNXGEJ-WATLYSKOSA-N 2 0 456.704 3.534 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001313868849 1071406388 /nfs/dbraw/zinc/40/63/88/1071406388.db2.gz BNEQVFSGMDGOSQ-JXALWOEJSA-N 2 0 465.621 3.625 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001313871117 1071415897 /nfs/dbraw/zinc/41/58/97/1071415897.db2.gz XBBKREYABZDSPE-BSRJHKFKSA-N 2 0 485.677 3.995 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313873704 1071425707 /nfs/dbraw/zinc/42/57/07/1071425707.db2.gz LPHVIGYVIUDNNS-HWBMXIPRSA-N 2 0 461.658 3.794 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313873620 1071425720 /nfs/dbraw/zinc/42/57/20/1071425720.db2.gz MOFQCGGIJNJFSI-PCCBWWKXSA-N 2 0 458.626 3.504 20 0 JHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493759 1071433505 /nfs/dbraw/zinc/43/35/05/1071433505.db2.gz KZOFYVURUSLSCY-ISJGIBHGSA-N 2 0 458.647 3.529 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001313878799 1071445998 /nfs/dbraw/zinc/44/59/98/1071445998.db2.gz VTSRGOGCBCVFDN-XZOQPEGZSA-N 2 0 454.663 3.960 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313879147 1071447516 /nfs/dbraw/zinc/44/75/16/1071447516.db2.gz YHFMGGLTOOSOFB-UFPGJGBJSA-N 2 0 486.730 3.830 20 0 JHADRP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313879269 1071449410 /nfs/dbraw/zinc/44/94/10/1071449410.db2.gz ZSNWATMVZIYPGK-QNWVGRARSA-N 2 0 454.663 3.671 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001313881756 1071456021 /nfs/dbraw/zinc/45/60/21/1071456021.db2.gz CRJICTLTBFNOAJ-IIZPIQPGSA-N 2 0 489.709 3.752 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313892347 1071487857 /nfs/dbraw/zinc/48/78/57/1071487857.db2.gz DWLSQMBLPDOZDN-JOCHJYFZSA-N 2 0 454.663 3.996 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313911961 1071538944 /nfs/dbraw/zinc/53/89/44/1071538944.db2.gz GCYWBQLCDHKMPN-OAQYLSRUSA-N 2 0 470.662 3.661 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C[C@@H]1C ZINC001313934721 1071602951 /nfs/dbraw/zinc/60/29/51/1071602951.db2.gz VCVCCTUTSYJMJP-PGRDOPGGSA-N 2 0 452.603 3.688 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCC[C@@H]2C)C[C@H]1C ZINC001313935800 1071607377 /nfs/dbraw/zinc/60/73/77/1071607377.db2.gz YXSXWRLIELPQHI-DLBZAZTESA-N 2 0 479.442 3.861 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313939923 1071614134 /nfs/dbraw/zinc/61/41/34/1071614134.db2.gz HVAJCPAXVPUPDC-NHCUHLMSSA-N 2 0 452.672 3.981 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001313946808 1071629880 /nfs/dbraw/zinc/62/98/80/1071629880.db2.gz CDOZXEJCPAJYPE-PKTZIBPZSA-N 2 0 484.689 3.764 20 0 JHADRP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314125667 1072033496 /nfs/dbraw/zinc/03/34/96/1072033496.db2.gz OZXQOHMWBUUUGL-XFAFFCHDSA-N 2 0 490.737 3.609 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001305985069 1068334044 /nfs/dbraw/zinc/33/40/44/1068334044.db2.gz DOWYKQDBLFZDIV-LEWJYISDSA-N 2 0 454.663 3.680 20 0 JHADRP CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306091630 1068515690 /nfs/dbraw/zinc/51/56/90/1068515690.db2.gz ZZXQSIBWKMIAKF-WNCULLNHSA-N 2 0 467.706 3.609 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001306418844 1068910564 /nfs/dbraw/zinc/91/05/64/1068910564.db2.gz JYRIEOQLEOTNKE-JOCHJYFZSA-N 2 0 472.653 3.753 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C[NH+](C)C)CC[N@@H+]1CCOC ZINC001306423387 1068916461 /nfs/dbraw/zinc/91/64/61/1068916461.db2.gz LEYYGNIYLROWEC-HXUWFJFHSA-N 2 0 467.662 3.561 20 0 JHADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC001310746170 1069148131 /nfs/dbraw/zinc/14/81/31/1069148131.db2.gz RQQNABOMZNUONA-FQEVSTJZSA-N 2 0 453.027 3.778 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CC=CCC2)CC[N@@H+]1CCOC ZINC001306620518 1069306138 /nfs/dbraw/zinc/30/61/38/1069306138.db2.gz PTLTUNUSGUWVLK-HSZRJFAPSA-N 2 0 473.065 3.798 20 0 JHADRP Clc1ncc2c(c1N1CCO[C@@H]3C[NH2+]CC[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164406970 718863605 /nfs/dbraw/zinc/86/36/05/718863605.db2.gz IDDLNDJOVFADDX-NZQKXSOJSA-N 2 0 469.029 3.571 20 0 JHADRP CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)CC1 ZINC001164617948 719036067 /nfs/dbraw/zinc/03/60/67/719036067.db2.gz QCOJFLBIUJOTDU-UHFFFAOYSA-N 2 0 483.003 3.901 20 0 JHADRP Fc1cccnc1N(c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164692076 719761426 /nfs/dbraw/zinc/76/14/26/719761426.db2.gz RLASTIORAWEUCC-AMGIVPHBSA-N 2 0 459.569 3.833 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001164821374 720355797 /nfs/dbraw/zinc/35/57/97/720355797.db2.gz ADDDLJJQKRLVGF-FGZHOGPDSA-N 2 0 494.030 3.568 20 0 JHADRP Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(N2CCCC2)[nH+]1 ZINC001164747237 720873863 /nfs/dbraw/zinc/87/38/63/720873863.db2.gz AUJVEJLJZXRVES-SHQCIBLASA-N 2 0 462.642 3.535 20 0 JHADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164747355 720908724 /nfs/dbraw/zinc/90/87/24/720908724.db2.gz CTBYEPYGHKFFMX-IAPPQJPRSA-N 2 0 461.654 3.828 20 0 JHADRP C[N@H+](Cc1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754607 720918401 /nfs/dbraw/zinc/91/84/01/720918401.db2.gz WEHLQFFUVHHLJD-LSYYVWMOSA-N 2 0 461.654 3.826 20 0 JHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866726 721195126 /nfs/dbraw/zinc/19/51/26/721195126.db2.gz CHJHCRVCZHDANG-RTWAWAEBSA-N 2 0 475.971 3.531 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164897467 721446276 /nfs/dbraw/zinc/44/62/76/721446276.db2.gz UDQGJRVQQCBJSE-SLQPCKNISA-N 2 0 455.691 3.784 20 0 JHADRP Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)C3)n1 ZINC001164962762 722027524 /nfs/dbraw/zinc/02/75/24/722027524.db2.gz RXGRJKJOWIEQCF-XNMGPUDCSA-N 2 0 466.626 3.850 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC001306647904 1069360487 /nfs/dbraw/zinc/36/04/87/1069360487.db2.gz QJBNMSDQMJGVCT-HXUWFJFHSA-N 2 0 458.626 3.506 20 0 JHADRP O=C(NCCCC[NH+]1CCOCC1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001311430174 1069376494 /nfs/dbraw/zinc/37/64/94/1069376494.db2.gz IDNHHRVVWIOXHE-SANMLTNESA-N 2 0 456.675 3.965 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001306682068 1069412489 /nfs/dbraw/zinc/41/24/89/1069412489.db2.gz BBRMFHDGLZQPBM-UHFFFAOYSA-N 2 0 475.081 3.879 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001306681241 1069409695 /nfs/dbraw/zinc/40/96/95/1069409695.db2.gz UNMQJXKANNCTRL-DHIUTWEWSA-N 2 0 487.737 3.583 20 0 JHADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001306725883 1069466975 /nfs/dbraw/zinc/46/69/75/1069466975.db2.gz HQEKIHLROGWMKE-KNQAVFIVSA-N 2 0 459.708 3.819 20 0 JHADRP COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001311757947 1069534915 /nfs/dbraw/zinc/53/49/15/1069534915.db2.gz DYDLPHYMKKHWFB-VWLOTQADSA-N 2 0 450.627 3.729 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC001306787396 1069591232 /nfs/dbraw/zinc/59/12/32/1069591232.db2.gz CJKJABPWDHERRY-ZDXQCDESSA-N 2 0 453.679 3.552 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001306805725 1069617331 /nfs/dbraw/zinc/61/73/31/1069617331.db2.gz WXOCROSRXNQDDW-UHFFFAOYSA-N 2 0 454.667 3.559 20 0 JHADRP CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[NH+]4C[C@@H]3C)n2CCC[N@H+](C)C(C)C)cc1OC ZINC001314169817 1069678019 /nfs/dbraw/zinc/67/80/19/1069678019.db2.gz NUBHVOPRNVUQQI-UNMCSNQZSA-N 2 0 470.662 3.756 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCOC)[C@H](CC)C2)C1 ZINC001307035452 1069753538 /nfs/dbraw/zinc/75/35/38/1069753538.db2.gz UMTFGRTXJGXAOB-NZQKXSOJSA-N 2 0 475.081 3.877 20 0 JHADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001312165011 1069759784 /nfs/dbraw/zinc/75/97/84/1069759784.db2.gz OCFRGVPBRSXSBS-KVVRFYPFSA-N 2 0 464.654 3.876 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001307039459 1069764367 /nfs/dbraw/zinc/76/43/67/1069764367.db2.gz AOXVCAUPRAFRAN-OAQYLSRUSA-N 2 0 454.663 3.576 20 0 JHADRP CC(C)OCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001312210665 1069784071 /nfs/dbraw/zinc/78/40/71/1069784071.db2.gz HMOFGBCJAAVYCR-UHFFFAOYSA-N 2 0 458.569 3.668 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001307048609 1069793879 /nfs/dbraw/zinc/79/38/79/1069793879.db2.gz FHTCLLNZSVILSK-QGZVFWFLSA-N 2 0 463.468 3.968 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001307048607 1069794170 /nfs/dbraw/zinc/79/41/70/1069794170.db2.gz FHTCLLNZSVILSK-KRWDZBQOSA-N 2 0 463.468 3.968 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001307049305 1069796661 /nfs/dbraw/zinc/79/66/61/1069796661.db2.gz JDYSAORGWMVDQK-HXUWFJFHSA-N 2 0 490.693 3.917 20 0 JHADRP Cc1cccc(C)c1OC[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC001312239450 1069801844 /nfs/dbraw/zinc/80/18/44/1069801844.db2.gz XEASDLYRLYXVDV-SDHSZQHLSA-N 2 0 452.643 3.804 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001307051063 1069802879 /nfs/dbraw/zinc/80/28/79/1069802879.db2.gz VYZIKWFGMQBNAQ-IBGZPJMESA-N 2 0 478.483 3.831 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001307053971 1069814566 /nfs/dbraw/zinc/81/45/66/1069814566.db2.gz JNTVOJVQRQPQJC-VXNXHJTFSA-N 2 0 459.727 3.661 20 0 JHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750285 1070165918 /nfs/dbraw/zinc/16/59/18/1070165918.db2.gz HTVSDFWFVFHBTJ-OAQYLSRUSA-N 2 0 458.647 3.688 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001314397911 1070258016 /nfs/dbraw/zinc/25/80/16/1070258016.db2.gz XKKIWZDUVKSBDG-QFIPXVFZSA-N 2 0 454.663 3.567 20 0 JHADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(Cl)c1OCC(N)=O ZINC001308344170 1070359302 /nfs/dbraw/zinc/35/93/02/1070359302.db2.gz XRUVCOGSXVJKOE-JAXLGGSGSA-N 2 0 458.002 3.603 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001313447115 1070365529 /nfs/dbraw/zinc/36/55/29/1070365529.db2.gz IVMWYVXXIZHHAN-SJBKTWHCSA-N 2 0 470.662 3.756 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1CC ZINC001314499152 1070426517 /nfs/dbraw/zinc/42/65/17/1070426517.db2.gz MEIUWDATVCBVLL-QPXUXIHVSA-N 2 0 476.710 3.577 20 0 JHADRP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)C1 ZINC001309255605 1070648170 /nfs/dbraw/zinc/64/81/70/1070648170.db2.gz XZPZHSDBHLLUKW-DSNGMDLFSA-N 2 0 459.631 3.540 20 0 JHADRP CN(c1nnc(C(C)(C)C)n1C[C@@H](c1ccsc1)[NH+](C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC001314651371 1070761255 /nfs/dbraw/zinc/76/12/55/1070761255.db2.gz AWDBDVNUQVSLJE-QFIPXVFZSA-N 2 0 484.718 3.737 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001313652683 1070830925 /nfs/dbraw/zinc/83/09/25/1070830925.db2.gz XKXRQVKXPCIDGI-LADGPHEKSA-N 2 0 481.689 3.942 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001313662829 1070871573 /nfs/dbraw/zinc/87/15/73/1070871573.db2.gz XHOUNVIBGYEPOI-HSZRJFAPSA-N 2 0 461.658 3.744 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001313693513 1070954706 /nfs/dbraw/zinc/95/47/06/1070954706.db2.gz AKJTWRQIRXXERM-NZQKXSOJSA-N 2 0 458.626 3.535 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001313695535 1070959963 /nfs/dbraw/zinc/95/99/63/1070959963.db2.gz BCXKKVCKPZARPL-RUZDIDTESA-N 2 0 472.703 3.702 20 0 JHADRP CC[NH+](CC)Cc1cccc(Cn2c(N3CC[NH+](C4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313704122 1070989689 /nfs/dbraw/zinc/98/96/89/1070989689.db2.gz VTKUOJMNRCOLLT-UHFFFAOYSA-N 2 0 468.690 3.767 20 0 JHADRP CC[NH+](CC)Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001313705348 1070993714 /nfs/dbraw/zinc/99/37/14/1070993714.db2.gz RFLHQAGJVCAESZ-UHFFFAOYSA-N 2 0 461.658 3.684 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001313706792 1070996843 /nfs/dbraw/zinc/99/68/43/1070996843.db2.gz FKRNMBAKDWTFSA-AOJNWGRGSA-N 2 0 455.695 3.962 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001313710653 1071005003 /nfs/dbraw/zinc/00/50/03/1071005003.db2.gz BIABIJPFSORIQU-REWPJTCUSA-N 2 0 470.662 3.547 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001313712666 1071009501 /nfs/dbraw/zinc/00/95/01/1071009501.db2.gz RIEUENMRYGDDRI-NRFANRHFSA-N 2 0 492.087 3.686 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313715633 1071014561 /nfs/dbraw/zinc/01/45/61/1071014561.db2.gz KWSZDRKHVQOOPQ-FCHUYYIVSA-N 2 0 456.683 3.501 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313715634 1071014744 /nfs/dbraw/zinc/01/47/44/1071014744.db2.gz KWSZDRKHVQOOPQ-FGZHOGPDSA-N 2 0 456.683 3.501 20 0 JHADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001310172450 1071178571 /nfs/dbraw/zinc/17/85/71/1071178571.db2.gz SMRDUINLILSTCT-UHFFFAOYSA-N 2 0 450.627 3.993 20 0 JHADRP CN(CCCc1ccccn1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001314839979 1071186003 /nfs/dbraw/zinc/18/60/03/1071186003.db2.gz RCUHHNAZVPKZRB-UHFFFAOYSA-N 2 0 476.673 3.647 20 0 JHADRP CC[N@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313802924 1071209848 /nfs/dbraw/zinc/20/98/48/1071209848.db2.gz KUPPIDUUHNXESU-QFIPXVFZSA-N 2 0 470.662 3.757 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313858900 1071361040 /nfs/dbraw/zinc/36/10/40/1071361040.db2.gz CKMLAXMGZQIIQW-HKBOAZHASA-N 2 0 458.626 3.962 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001313859782 1071365439 /nfs/dbraw/zinc/36/54/39/1071365439.db2.gz ICAOYHHSNOYUQK-AOHZBQACSA-N 2 0 498.716 3.801 20 0 JHADRP CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1Cl ZINC001310420213 1071379521 /nfs/dbraw/zinc/37/95/21/1071379521.db2.gz NNEAWAHTLZLRMK-RTWAWAEBSA-N 2 0 452.043 3.796 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313868074 1071402658 /nfs/dbraw/zinc/40/26/58/1071402658.db2.gz AIBAVMRTTNXGEJ-STWLZBDKSA-N 2 0 456.704 3.534 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001310462467 1071405051 /nfs/dbraw/zinc/40/50/51/1071405051.db2.gz QMEGOMZXBZFBAT-HXUWFJFHSA-N 2 0 452.525 3.771 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313871796 1071418310 /nfs/dbraw/zinc/41/83/10/1071418310.db2.gz HNXWSSFPTGETSG-FUDKSRODSA-N 2 0 456.679 3.773 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)C[C@H]1C ZINC001313872200 1071419785 /nfs/dbraw/zinc/41/97/85/1071419785.db2.gz VIMFOUDEZFPDJW-PKTZIBPZSA-N 2 0 460.711 3.678 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313873625 1071425572 /nfs/dbraw/zinc/42/55/72/1071425572.db2.gz MOUCJIBBNPLHOL-WOJBJXKFSA-N 2 0 472.703 3.700 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313874281 1071427861 /nfs/dbraw/zinc/42/78/61/1071427861.db2.gz OLDXICNOYCZGHE-QNWVGRARSA-N 2 0 454.663 3.993 20 0 JHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1)C[C@@H]1CCCCO1 ZINC001310490951 1071430103 /nfs/dbraw/zinc/43/01/03/1071430103.db2.gz RREDKTMPFJLYIS-VWLOTQADSA-N 2 0 459.679 3.614 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313879145 1071447692 /nfs/dbraw/zinc/44/76/92/1071447692.db2.gz YHFMGGLTOOSOFB-MCEYFSPLSA-N 2 0 486.730 3.830 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001313881758 1071455957 /nfs/dbraw/zinc/45/59/57/1071455957.db2.gz CRJICTLTBFNOAJ-XWUOBKMESA-N 2 0 489.709 3.752 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313886870 1071471469 /nfs/dbraw/zinc/47/14/69/1071471469.db2.gz BYWHVODTJGJWBC-LJQANCHMSA-N 2 0 475.479 3.970 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313904468 1071518333 /nfs/dbraw/zinc/51/83/33/1071518333.db2.gz IIRLZBSGZGZUAP-OAQYLSRUSA-N 2 0 472.703 3.984 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001313914728 1071548578 /nfs/dbraw/zinc/54/85/78/1071548578.db2.gz UGXRCSSJQZEVBT-QQKQFIJSSA-N 2 0 470.710 3.604 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313933272 1071597915 /nfs/dbraw/zinc/59/79/15/1071597915.db2.gz YLQNWOLPBOMAGH-QFIPXVFZSA-N 2 0 459.727 3.520 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933186 1071597971 /nfs/dbraw/zinc/59/79/71/1071597971.db2.gz YFCYAQCOBCXBEM-RPBOFIJWSA-N 2 0 487.781 3.841 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001313934018 1071600544 /nfs/dbraw/zinc/60/05/44/1071600544.db2.gz RIYGZJLQZVJKMS-KRWDZBQOSA-N 2 0 481.472 3.629 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313934254 1071601734 /nfs/dbraw/zinc/60/17/34/1071601734.db2.gz SUGBYZUHCQQPAH-FOIQADDNSA-N 2 0 499.548 3.737 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313934991 1071604268 /nfs/dbraw/zinc/60/42/68/1071604268.db2.gz UOVKZUMIPZPEBV-MOPGFXCFSA-N 2 0 492.510 3.841 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313934985 1071604344 /nfs/dbraw/zinc/60/43/44/1071604344.db2.gz UKJKECHEHKZOTF-GBXCKJPGSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313940465 1071614933 /nfs/dbraw/zinc/61/49/33/1071614933.db2.gz MCAYEBYWJSHVIZ-LPHOPBHVSA-N 2 0 459.689 3.529 20 0 JHADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001313945544 1071626825 /nfs/dbraw/zinc/62/68/25/1071626825.db2.gz QGDFVGQQDKOTFF-FQEVSTJZSA-N 2 0 492.087 3.542 20 0 JHADRP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001313951088 1071640653 /nfs/dbraw/zinc/64/06/53/1071640653.db2.gz FEOLCRMTYKSPIR-RUZDIDTESA-N 2 0 473.754 3.912 20 0 JHADRP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC001313952649 1071646589 /nfs/dbraw/zinc/64/65/89/1071646589.db2.gz SMULUFJUCIUJNV-UHFFFAOYSA-N 2 0 473.754 3.912 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314127100 1072037240 /nfs/dbraw/zinc/03/72/40/1072037240.db2.gz UZVPLJDIBWGDKD-AJTFRIOCSA-N 2 0 490.737 3.751 20 0 JHADRP CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306136157 1068538903 /nfs/dbraw/zinc/53/89/03/1068538903.db2.gz JJPSJMLAVILSKT-CWBXHPNXSA-N 2 0 460.711 3.534 20 0 JHADRP CCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001306164507 1068560142 /nfs/dbraw/zinc/56/01/42/1068560142.db2.gz JJCUWYLHPHKUEB-DEOSSOPVSA-N 2 0 468.690 3.778 20 0 JHADRP CC[C@H](Cn1c(N2CC[N@H+](CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC001306390418 1068829260 /nfs/dbraw/zinc/82/92/60/1068829260.db2.gz RVYKLPJXJGJPFV-LOSJGSFVSA-N 2 0 482.717 3.960 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306402488 1068863938 /nfs/dbraw/zinc/86/39/38/1068863938.db2.gz BAGSXNCGRXDYHZ-DHIUTWEWSA-N 2 0 484.620 3.836 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001306408402 1068885281 /nfs/dbraw/zinc/88/52/81/1068885281.db2.gz ILDFTPFWJCWHJT-IBGZPJMESA-N 2 0 481.472 3.895 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)C[NH+](C)C)CC[N@@H+]1CCOC ZINC001306408333 1068885386 /nfs/dbraw/zinc/88/53/86/1068885386.db2.gz APILJDAFCPHRHU-QFIPXVFZSA-N 2 0 479.673 3.628 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306412925 1068899079 /nfs/dbraw/zinc/89/90/79/1068899079.db2.gz XQBNFIUNIBPULO-WMTXJRDZSA-N 2 0 454.663 3.613 20 0 JHADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC001306586540 1069253516 /nfs/dbraw/zinc/25/35/16/1069253516.db2.gz IDBHYYYPZPCUQS-VWNXMTODSA-N 2 0 452.599 3.539 20 0 JHADRP CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCOC ZINC001306618305 1069301079 /nfs/dbraw/zinc/30/10/79/1069301079.db2.gz ONTVQYROOTXKHX-QHCPKHFHSA-N 2 0 456.679 3.623 20 0 JHADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)c2ccccc21 ZINC001164685509 719683343 /nfs/dbraw/zinc/68/33/43/719683343.db2.gz KWQCXXUWIABEGG-DEOSSOPVSA-N 2 0 475.681 3.771 20 0 JHADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)nc1 ZINC001164815232 720243505 /nfs/dbraw/zinc/24/35/05/720243505.db2.gz BVQUWZFZQRCTSI-QHCPKHFHSA-N 2 0 452.647 3.826 20 0 JHADRP C[N@H+](Cc1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754606 720919863 /nfs/dbraw/zinc/91/98/63/720919863.db2.gz WEHLQFFUVHHLJD-LEAFIULHSA-N 2 0 461.654 3.826 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H](c4ccccc4)[C@]4(CCN(c5cccnc5)C4=O)C3)c2)CC1 ZINC001164909795 721742407 /nfs/dbraw/zinc/74/24/07/721742407.db2.gz DQKANUPTVDBVBQ-WNJJXGMVSA-N 2 0 483.616 3.977 20 0 JHADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1 ZINC001165020441 721839968 /nfs/dbraw/zinc/83/99/68/721839968.db2.gz JEKKJAZMUFMQBR-UHFFFAOYSA-N 2 0 460.022 3.715 20 0 JHADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164924287 721875744 /nfs/dbraw/zinc/87/57/44/721875744.db2.gz KPCQZRDOIQVVAW-DQEYMECFSA-N 2 0 496.099 3.971 20 0 JHADRP c1ccc(C[N@@H+]2CCc3nc(N4CC[C@@H]5C[NH+](Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974949 722109014 /nfs/dbraw/zinc/10/90/14/722109014.db2.gz JDIRNMNLTIBDSD-IXCJQBJRSA-N 2 0 469.633 3.762 20 0 JHADRP c1ccc(C[N@@H+]2CCc3nc(N4CC[C@H]5C[NH+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974950 722109055 /nfs/dbraw/zinc/10/90/55/722109055.db2.gz JDIRNMNLTIBDSD-XCZPVHLTSA-N 2 0 469.633 3.762 20 0 JHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973123 722158276 /nfs/dbraw/zinc/15/82/76/722158276.db2.gz LHIPJFNMJZWIRM-NZQKXSOJSA-N 2 0 489.998 3.779 20 0 JHADRP O=C(NCCCC[NH+]1CCOCC1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001311430173 1069375842 /nfs/dbraw/zinc/37/58/42/1069375842.db2.gz IDNHHRVVWIOXHE-AREMUKBSSA-N 2 0 456.675 3.965 20 0 JHADRP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001311432284 1069377423 /nfs/dbraw/zinc/37/74/23/1069377423.db2.gz IBEFOQDNVOIWPT-UHFFFAOYSA-N 2 0 455.691 3.634 20 0 JHADRP CCCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001306689701 1069427001 /nfs/dbraw/zinc/42/70/01/1069427001.db2.gz YPBQZCMMYVCSRQ-FQEVSTJZSA-N 2 0 460.617 3.944 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001306726018 1069467726 /nfs/dbraw/zinc/46/77/26/1069467726.db2.gz JFAZMYGIAUQPJQ-CQOQZXRMSA-N 2 0 453.679 3.837 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C1 ZINC001306781172 1069578947 /nfs/dbraw/zinc/57/89/47/1069578947.db2.gz HNKXDPZQYKHSIH-FDFHNCONSA-N 2 0 491.725 3.511 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306804652 1069614420 /nfs/dbraw/zinc/61/44/20/1069614420.db2.gz PMHKTEKYMZBXGL-AOHZBQACSA-N 2 0 476.710 3.577 20 0 JHADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC001311966223 1069641243 /nfs/dbraw/zinc/64/12/43/1069641243.db2.gz YNHSJBZJRKHPHR-ZCYQVOJMSA-N 2 0 456.675 3.920 20 0 JHADRP CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC001314178183 1069713786 /nfs/dbraw/zinc/71/37/86/1069713786.db2.gz DFTIWSAKYDIZAB-LEWJYISDSA-N 2 0 470.662 3.615 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001307031650 1069741352 /nfs/dbraw/zinc/74/13/52/1069741352.db2.gz MHSOKRKMOKKAEV-RBUKOAKNSA-N 2 0 479.044 3.626 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001307031649 1069741662 /nfs/dbraw/zinc/74/16/62/1069741662.db2.gz MHSOKRKMOKKAEV-OALUTQOASA-N 2 0 479.044 3.626 20 0 JHADRP CCC[NH+]1CCC(Cn2c(-c3ccccc3OC)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001307037359 1069758429 /nfs/dbraw/zinc/75/84/29/1069758429.db2.gz BVIZNEDEZRNOMY-UHFFFAOYSA-N 2 0 454.663 3.854 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001307039894 1069765218 /nfs/dbraw/zinc/76/52/18/1069765218.db2.gz GFNPIPXDJHVMEE-QFIPXVFZSA-N 2 0 453.679 3.554 20 0 JHADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312219409 1069790425 /nfs/dbraw/zinc/79/04/25/1069790425.db2.gz VXDCADGSGGZSHE-JWQCQUIFSA-N 2 0 456.606 3.579 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001307048030 1069792655 /nfs/dbraw/zinc/79/26/55/1069792655.db2.gz KHGXEYREQVMTBI-IBGZPJMESA-N 2 0 460.617 3.942 20 0 JHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC001312232807 1069797306 /nfs/dbraw/zinc/79/73/06/1069797306.db2.gz ZTEBAWIPYQARLU-WMZOPIPTSA-N 2 0 457.432 3.577 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001307049536 1069797381 /nfs/dbraw/zinc/79/73/81/1069797381.db2.gz OBMBECUYWGRFJC-DEOSSOPVSA-N 2 0 481.689 3.798 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](CC)C2CC2)CC1 ZINC001307049647 1069797993 /nfs/dbraw/zinc/79/79/93/1069797993.db2.gz MJDDAKKNZZPRHW-UHFFFAOYSA-N 2 0 478.483 3.831 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001307051130 1069803085 /nfs/dbraw/zinc/80/30/85/1069803085.db2.gz XPCWHKZXPHJTKK-ICTDUYRTSA-N 2 0 490.737 3.751 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001307052621 1069808396 /nfs/dbraw/zinc/80/83/96/1069808396.db2.gz ANJKQZCXTQAKLR-JOCHJYFZSA-N 2 0 454.663 3.818 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001307057636 1069833870 /nfs/dbraw/zinc/83/38/70/1069833870.db2.gz WLUDQDXIYXEUEC-UPVQGACJSA-N 2 0 454.663 3.786 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC001312322090 1069862637 /nfs/dbraw/zinc/86/26/37/1069862637.db2.gz VXXMDAWFABHAEG-VQIMIIECSA-N 2 0 457.432 3.577 20 0 JHADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001307413271 1069972425 /nfs/dbraw/zinc/97/24/25/1069972425.db2.gz KNHJGMRZXWLCDO-OAQYLSRUSA-N 2 0 452.684 3.584 20 0 JHADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1Cl ZINC001307515369 1070028830 /nfs/dbraw/zinc/02/88/30/1070028830.db2.gz SREZDTJWPKDVRK-VWLOTQADSA-N 2 0 455.002 3.756 20 0 JHADRP CCOCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001314303532 1070089083 /nfs/dbraw/zinc/08/90/83/1070089083.db2.gz RYISJODFLKSGGE-VWNXMTODSA-N 2 0 454.663 3.790 20 0 JHADRP CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001314302433 1070087199 /nfs/dbraw/zinc/08/71/99/1070087199.db2.gz IUMMXRDUUPNDHA-JTHBVZDNSA-N 2 0 454.663 3.788 20 0 JHADRP CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N(CC(C)C)CC3CC[NH+](C)CC3)CC2)cc1 ZINC001312722012 1070093767 /nfs/dbraw/zinc/09/37/67/1070093767.db2.gz WEIYRZROGCXTCP-UHFFFAOYSA-N 2 0 457.663 3.619 20 0 JHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3ccccc3)[C@H](O)c3ccccc3)cc2)CC1 ZINC001307809716 1070193230 /nfs/dbraw/zinc/19/32/30/1070193230.db2.gz FAWHUKAOQKLJMO-WUFINQPMSA-N 2 0 458.606 3.832 20 0 JHADRP CCOCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001314384926 1070230052 /nfs/dbraw/zinc/23/00/52/1070230052.db2.gz LKYZXYULVNFTNG-HSZRJFAPSA-N 2 0 454.663 3.646 20 0 JHADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC001313397479 1070347925 /nfs/dbraw/zinc/34/79/25/1070347925.db2.gz QLYONLSYJQICKL-UHFFFAOYSA-N 2 0 450.627 3.652 20 0 JHADRP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001308280981 1070351444 /nfs/dbraw/zinc/35/14/44/1070351444.db2.gz CUEZDHQOJYCXHW-UHFFFAOYSA-N 2 0 454.018 3.783 20 0 JHADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC001308332124 1070357866 /nfs/dbraw/zinc/35/78/66/1070357866.db2.gz ZXWGHKOIHFFRGP-DHIUTWEWSA-N 2 0 450.465 3.771 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001313446663 1070363396 /nfs/dbraw/zinc/36/33/96/1070363396.db2.gz DPYZUBMCCMGYTM-HKBOAZHASA-N 2 0 458.626 3.962 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001313450449 1070377808 /nfs/dbraw/zinc/37/78/08/1070377808.db2.gz KSBQPEJGBWNNKU-VWLOTQADSA-N 2 0 481.733 4.000 20 0 JHADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(N4CCC[C@@H](C(=O)OC(C)(C)C)C4)o3)c2)CC1 ZINC001308486895 1070380747 /nfs/dbraw/zinc/38/07/47/1070380747.db2.gz BQLBRXDRNLBWIR-LJQANCHMSA-N 2 0 455.603 3.597 20 0 JHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001308685055 1070418485 /nfs/dbraw/zinc/41/84/85/1070418485.db2.gz JYMJWDIBFPALFC-JOCHJYFZSA-N 2 0 452.684 3.584 20 0 JHADRP CCCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313501256 1070524720 /nfs/dbraw/zinc/52/47/20/1070524720.db2.gz CUTDJHUNNBIAPW-FCHUYYIVSA-N 2 0 482.673 3.923 20 0 JHADRP C[NH+](C)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCOCC1 ZINC001314653968 1070767189 /nfs/dbraw/zinc/76/71/89/1070767189.db2.gz SWDNVJXOWFNVOL-UHFFFAOYSA-N 2 0 490.096 3.663 20 0 JHADRP C[NH+](C)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001314654687 1070769438 /nfs/dbraw/zinc/76/94/38/1070769438.db2.gz LCQVJFADDDWQMB-OAQYLSRUSA-N 2 0 458.626 3.647 20 0 JHADRP C[NH+](C)[C@@]1(Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCSC1 ZINC001314658065 1070778421 /nfs/dbraw/zinc/77/84/21/1070778421.db2.gz PYWIZJCNEBIMDW-HSZRJFAPSA-N 2 0 462.733 3.678 20 0 JHADRP CN(c1nnc(C(C)(C)C)n1CC1([NH+](C)C)CCCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC001314678292 1070825283 /nfs/dbraw/zinc/82/52/83/1070825283.db2.gz QOIKGNLWEGDFAQ-UHFFFAOYSA-N 2 0 470.710 3.637 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313661318 1070868537 /nfs/dbraw/zinc/86/85/37/1070868537.db2.gz DMJLEOFTKHOYPQ-OAQYLSRUSA-N 2 0 456.683 3.501 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC=C(C)CC1 ZINC001313664378 1070876684 /nfs/dbraw/zinc/87/66/84/1070876684.db2.gz BSIAWZLZTUEPOP-XMMPIXPASA-N 2 0 465.690 3.530 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001313667168 1070888321 /nfs/dbraw/zinc/88/83/21/1070888321.db2.gz JSPHCUVFYSTDNL-RJGXRXQPSA-N 2 0 461.743 3.592 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC001313671142 1070898984 /nfs/dbraw/zinc/89/89/84/1070898984.db2.gz GMKKDAGWNFQDFW-QFIPXVFZSA-N 2 0 468.675 3.847 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001313693265 1070954002 /nfs/dbraw/zinc/95/40/02/1070954002.db2.gz BHRNILGOYWMSIY-VWLOTQADSA-N 2 0 472.703 3.702 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001313694974 1070958609 /nfs/dbraw/zinc/95/86/09/1070958609.db2.gz YVZLKMHQNQOVCR-XMMPIXPASA-N 2 0 467.706 3.943 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001313695031 1070958776 /nfs/dbraw/zinc/95/87/76/1070958776.db2.gz ZXVJZKGPPAALGN-QFIPXVFZSA-N 2 0 467.687 3.939 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCCC2)CC1 ZINC001313696327 1070962585 /nfs/dbraw/zinc/96/25/85/1070962585.db2.gz GHFWXGFJDUPDJE-DHIUTWEWSA-N 2 0 460.711 3.993 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001313697360 1070966432 /nfs/dbraw/zinc/96/64/32/1070966432.db2.gz NEUKMVBUUUQXDM-RUZDIDTESA-N 2 0 490.693 3.744 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001313701173 1070979547 /nfs/dbraw/zinc/97/95/47/1070979547.db2.gz BWZAKCWEFIQNGX-CJFMBICVSA-N 2 0 472.703 3.559 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001313702102 1070982746 /nfs/dbraw/zinc/98/27/46/1070982746.db2.gz MXNGFJLEHDIELQ-FQEVSTJZSA-N 2 0 475.081 3.613 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313710664 1071005066 /nfs/dbraw/zinc/00/50/66/1071005066.db2.gz BQLUZBBNNUAESC-DHIUTWEWSA-N 2 0 453.679 3.552 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001313714410 1071012352 /nfs/dbraw/zinc/01/23/52/1071012352.db2.gz YNLSSEPEHGDTII-NRFANRHFSA-N 2 0 459.708 3.534 20 0 JHADRP CC[NH+](CC)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001313720910 1071022204 /nfs/dbraw/zinc/02/22/04/1071022204.db2.gz URNVYIRZCPGTLQ-GMKZXUHWSA-N 2 0 490.737 3.618 20 0 JHADRP C[N@H+](CCCn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001314844985 1071199714 /nfs/dbraw/zinc/19/97/14/1071199714.db2.gz IVARSJXYYWEZSW-UHFFFAOYSA-N 2 0 468.694 3.948 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313860414 1071368943 /nfs/dbraw/zinc/36/89/43/1071368943.db2.gz KLOQBJMFFYMBKL-NJYVYQBISA-N 2 0 464.662 3.984 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001313860419 1071369875 /nfs/dbraw/zinc/36/98/75/1071369875.db2.gz KLUFOHYZMCUVHS-ZNMIVQPWSA-N 2 0 455.470 3.638 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868182 1071403341 /nfs/dbraw/zinc/40/33/41/1071403341.db2.gz BEFUIMVTJQBMEX-XZOQPEGZSA-N 2 0 461.658 3.705 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313868647 1071405406 /nfs/dbraw/zinc/40/54/06/1071405406.db2.gz VPXQMRSJRIMKNL-MQFRRQCYSA-N 2 0 453.679 3.935 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313869744 1071410385 /nfs/dbraw/zinc/41/03/85/1071410385.db2.gz QMHYSPYLSAGYKJ-QTEQDKRBSA-N 2 0 475.081 3.874 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313869256 1071408385 /nfs/dbraw/zinc/40/83/85/1071408385.db2.gz OZMIZEATOHFJLS-ZSXJVMONSA-N 2 0 460.711 3.849 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)C[C@H]1C ZINC001313872196 1071419833 /nfs/dbraw/zinc/41/98/33/1071419833.db2.gz VIMFOUDEZFPDJW-DHIUTWEWSA-N 2 0 460.711 3.678 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313873226 1071424727 /nfs/dbraw/zinc/42/47/27/1071424727.db2.gz KIAQLTWJTKFHJP-LUKWVAJMSA-N 2 0 467.706 3.939 20 0 JHADRP CC[NH+]1CCC(CCn2c(COc3ccccc3OC)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001313880888 1071453215 /nfs/dbraw/zinc/45/32/15/1071453215.db2.gz BRGQXVJSNMINKT-UHFFFAOYSA-N 2 0 470.662 3.518 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001313891327 1071484637 /nfs/dbraw/zinc/48/46/37/1071484637.db2.gz UZGJFZZSEZVWOZ-JOCHJYFZSA-N 2 0 454.663 3.818 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001313892405 1071487828 /nfs/dbraw/zinc/48/78/28/1071487828.db2.gz FFCPCEUXDMUJQJ-LJQANCHMSA-N 2 0 492.510 3.841 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001313897135 1071501390 /nfs/dbraw/zinc/50/13/90/1071501390.db2.gz UHGWXRUMYOFPJZ-MJGOQNOKSA-N 2 0 481.472 3.893 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927397 1071580045 /nfs/dbraw/zinc/58/00/45/1071580045.db2.gz KIZHCOOYKXXANZ-BJKOFHAPSA-N 2 0 481.733 3.702 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313932010 1071594098 /nfs/dbraw/zinc/59/40/98/1071594098.db2.gz GQVWCVFUQOHCOJ-BZSNNMDCSA-N 2 0 478.483 3.687 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001313932593 1071595678 /nfs/dbraw/zinc/59/56/78/1071595678.db2.gz IMTDDOGDFPRTLC-AVRDEDQJSA-N 2 0 454.644 3.849 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001313933880 1071599846 /nfs/dbraw/zinc/59/98/46/1071599846.db2.gz OBQLTFMNJGDHJW-QGZVFWFLSA-N 2 0 478.483 3.831 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC001313933932 1071600382 /nfs/dbraw/zinc/60/03/82/1071600382.db2.gz PAGQKICCIBSDSR-MRJKTFCFSA-N 2 0 498.716 3.979 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313940574 1071615666 /nfs/dbraw/zinc/61/56/66/1071615666.db2.gz OAQRBDSMGVXNIJ-FQEVSTJZSA-N 2 0 459.708 3.820 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[N@H+](CC)[C@H](C)C1)c1ccsc1 ZINC001313940329 1071614970 /nfs/dbraw/zinc/61/49/70/1071614970.db2.gz VWAPOYUKCMTORL-KNQAVFIVSA-N 2 0 455.676 3.959 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001313944461 1071624849 /nfs/dbraw/zinc/62/48/49/1071624849.db2.gz CDELGQCEFBASKS-NFBKMPQASA-N 2 0 474.097 3.545 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951301 1071641847 /nfs/dbraw/zinc/64/18/47/1071641847.db2.gz FJCJXNKNSKDOMR-AZGAKELHSA-N 2 0 495.760 3.808 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)CCOC1 ZINC001314126433 1072034834 /nfs/dbraw/zinc/03/48/34/1072034834.db2.gz QVZFJYSEBWFXQU-AREMUKBSSA-N 2 0 476.710 3.505 20 0 JHADRP CCc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC[NH+]2CCN(CC)CC2)cc1 ZINC001305944891 1068258003 /nfs/dbraw/zinc/25/80/03/1068258003.db2.gz GRMLETIHQVFWPH-UHFFFAOYSA-N 2 0 481.733 3.846 20 0 JHADRP CCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001306135721 1068538978 /nfs/dbraw/zinc/53/89/78/1068538978.db2.gz DIRDPFARCCBMSF-FGZHOGPDSA-N 2 0 460.711 3.821 20 0 JHADRP CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC(OCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001306321932 1068752438 /nfs/dbraw/zinc/75/24/38/1068752438.db2.gz FSSOSFXHGSTIJX-JOCHJYFZSA-N 2 0 460.711 3.921 20 0 JHADRP CC[C@@H](Cn1c(N2CC[N@H+](CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC001306390416 1068828900 /nfs/dbraw/zinc/82/89/00/1068828900.db2.gz RVYKLPJXJGJPFV-DQEYMECFSA-N 2 0 482.717 3.960 20 0 JHADRP CC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306450384 1068968685 /nfs/dbraw/zinc/96/86/85/1068968685.db2.gz MGFPQCNGYHJAJT-DQEYMECFSA-N 2 0 482.717 3.731 20 0 JHADRP [NH3+]CC1(F)CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)CC1 ZINC001164392386 718812883 /nfs/dbraw/zinc/81/28/83/718812883.db2.gz MKDRKULLMJSGNC-UHFFFAOYSA-N 2 0 458.965 3.664 20 0 JHADRP c1cncc(CN(c2ccc3nc(C4CC[NH2+]CC4)nn3c2)c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001164636601 719138870 /nfs/dbraw/zinc/13/88/70/719138870.db2.gz ZHBSEFJLSWTHEN-UHFFFAOYSA-N 2 0 468.609 3.920 20 0 JHADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164685554 719673474 /nfs/dbraw/zinc/67/34/74/719673474.db2.gz VIXUKSKGGXUSPL-QFIPXVFZSA-N 2 0 461.654 3.775 20 0 JHADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)c2ccccc21 ZINC001164681920 719679324 /nfs/dbraw/zinc/67/93/24/719679324.db2.gz OKSBTXHYBISODX-HSZRJFAPSA-N 2 0 475.681 3.769 20 0 JHADRP Cc1nc(COC[C@H]2CCC[C@@]23CN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CCO3)cs1 ZINC001164782349 721445419 /nfs/dbraw/zinc/44/54/19/721445419.db2.gz JASZCEPCNXOJRL-CJFMBICVSA-N 2 0 472.655 3.912 20 0 JHADRP COc1ccc([C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[NH+](C)C)cc1OC ZINC001311350590 1069337385 /nfs/dbraw/zinc/33/73/85/1069337385.db2.gz VTOCYPYDICQDDR-AUSIDOKSSA-N 2 0 454.615 3.831 20 0 JHADRP CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306635624 1069343237 /nfs/dbraw/zinc/34/32/37/1069343237.db2.gz RJHZLVMUCGNBSG-XPWALMASSA-N 2 0 476.710 3.577 20 0 JHADRP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001311370780 1069348539 /nfs/dbraw/zinc/34/85/39/1069348539.db2.gz VHDCBGVXGTZUTJ-CLJLJLNGSA-N 2 0 455.691 3.630 20 0 JHADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)CC2)c1 ZINC001311379981 1069354167 /nfs/dbraw/zinc/35/41/67/1069354167.db2.gz HDJBXQFRPDKJTA-AREMUKBSSA-N 2 0 455.691 3.851 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306648481 1069360287 /nfs/dbraw/zinc/36/02/87/1069360287.db2.gz RHJXYLLWMUEIRN-ISKFKSNPSA-N 2 0 468.690 3.923 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001306677870 1069401853 /nfs/dbraw/zinc/40/18/53/1069401853.db2.gz CXMCPIGQVYKKBZ-UHFFFAOYSA-N 2 0 468.694 3.948 20 0 JHADRP CCC(CC)[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC001311536590 1069428984 /nfs/dbraw/zinc/42/89/84/1069428984.db2.gz XNKZYBFEGKHDSB-NHCUHLMSSA-N 2 0 458.569 3.744 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001306722424 1069460433 /nfs/dbraw/zinc/46/04/33/1069460433.db2.gz LBGBZFBDJMYINL-SMIHKQSGSA-N 2 0 459.727 3.662 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001306783531 1069582987 /nfs/dbraw/zinc/58/29/87/1069582987.db2.gz JNHZRPYYVGJQRX-SFTDATJTSA-N 2 0 475.081 3.735 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001306798137 1069603460 /nfs/dbraw/zinc/60/34/60/1069603460.db2.gz NXKUYXJCIHAFKW-NHCUHLMSSA-N 2 0 458.626 3.964 20 0 JHADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC001312024322 1069677670 /nfs/dbraw/zinc/67/76/70/1069677670.db2.gz GSDZQLFHNGWXKX-UHFFFAOYSA-N 2 0 455.569 3.519 20 0 JHADRP CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC001314177443 1069711006 /nfs/dbraw/zinc/71/10/06/1069711006.db2.gz RVAIYBZWAGKLDN-QFIPXVFZSA-N 2 0 470.662 3.757 20 0 JHADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001312181094 1069769056 /nfs/dbraw/zinc/76/90/56/1069769056.db2.gz XBDFJPMFCOWBCT-UHFFFAOYSA-N 2 0 457.663 3.612 20 0 JHADRP CCC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001307041979 1069770783 /nfs/dbraw/zinc/77/07/83/1069770783.db2.gz ODJPYXKNOISPCT-UHFFFAOYSA-N 2 0 452.691 3.963 20 0 JHADRP CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](CC)[C@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001314197168 1069778404 /nfs/dbraw/zinc/77/84/04/1069778404.db2.gz JZJGIJSXBURXBW-YPAWHYETSA-N 2 0 470.662 3.832 20 0 JHADRP CCC[NH+]1CCC(Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001307045910 1069783076 /nfs/dbraw/zinc/78/30/76/1069783076.db2.gz HMIZHXFIMJYGBN-HHHXNRCGSA-N 2 0 490.737 3.751 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001307048173 1069793465 /nfs/dbraw/zinc/79/34/65/1069793465.db2.gz PDMRUDXDMBFFDD-DEOSSOPVSA-N 2 0 453.679 3.695 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001307048360 1069793853 /nfs/dbraw/zinc/79/38/53/1069793853.db2.gz RQVDRTWCUWPDTB-FCHUYYIVSA-N 2 0 453.679 3.695 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCCC2)CC1 ZINC001307049915 1069798975 /nfs/dbraw/zinc/79/89/75/1069798975.db2.gz ORZDCRZKRGQNHE-FQEVSTJZSA-N 2 0 458.626 3.964 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001307048872 1069795249 /nfs/dbraw/zinc/79/52/49/1069795249.db2.gz ALISJZFXYBIQDU-HSZRJFAPSA-N 2 0 481.733 3.838 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001307050750 1069801615 /nfs/dbraw/zinc/80/16/15/1069801615.db2.gz ZGIHTMRQOKAOTB-UHFFFAOYSA-N 2 0 467.706 3.592 20 0 JHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001307594553 1070070736 /nfs/dbraw/zinc/07/07/36/1070070736.db2.gz WHOUNLXRHUBRDW-BQQUOAEZSA-N 2 0 453.602 3.883 20 0 JHADRP CCC[N@H+](C)[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674998 1070075622 /nfs/dbraw/zinc/07/56/22/1070075622.db2.gz NJCYVSUYJWUUEX-GOTSBHOMSA-N 2 0 450.071 3.533 20 0 JHADRP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC001307621283 1070084510 /nfs/dbraw/zinc/08/45/10/1070084510.db2.gz MKYJWEYPUZOCJN-SFHVURJKSA-N 2 0 452.624 3.873 20 0 JHADRP COc1ccc(C(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c2ccc(OC)cc2)cc1 ZINC001307725149 1070149428 /nfs/dbraw/zinc/14/94/28/1070149428.db2.gz MLJFKRLTSMIPIC-UHFFFAOYSA-N 2 0 451.611 3.717 20 0 JHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC001313074647 1070241581 /nfs/dbraw/zinc/24/15/81/1070241581.db2.gz NWLPXTMEHABZEN-FERLCFGISA-N 2 0 451.453 3.910 20 0 JHADRP CCOCc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001314397134 1070256388 /nfs/dbraw/zinc/25/63/88/1070256388.db2.gz ZVGUFKPQEDMACI-UHFFFAOYSA-N 2 0 460.692 3.566 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001313447119 1070365250 /nfs/dbraw/zinc/36/52/50/1070365250.db2.gz IVMWYVXXIZHHAN-VWPQPMDRSA-N 2 0 470.662 3.756 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[NH+]2CC)C[C@@H]1CC ZINC001314495587 1070414521 /nfs/dbraw/zinc/41/45/21/1070414521.db2.gz IRTPHVYCXCAXBD-ZEQRLZLVSA-N 2 0 454.663 3.757 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1CC ZINC001314496103 1070416329 /nfs/dbraw/zinc/41/63/29/1070416329.db2.gz NFRFFRZJYWHDTM-ATIYNZHBSA-N 2 0 486.730 3.628 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C[C@@H]1CC ZINC001314499693 1070427970 /nfs/dbraw/zinc/42/79/70/1070427970.db2.gz DKHJBWJGOVSGHQ-VWLOTQADSA-N 2 0 496.744 3.903 20 0 JHADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4cc(Br)ccc4C3)cc2)CC1 ZINC001308821427 1070443405 /nfs/dbraw/zinc/44/34/05/1070443405.db2.gz YSNGJGUJKMGMMY-HSZRJFAPSA-N 2 0 456.428 3.794 20 0 JHADRP C[NH+](C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC001314649840 1070757602 /nfs/dbraw/zinc/75/76/02/1070757602.db2.gz DYHWZEQLFSMNRF-DHIUTWEWSA-N 2 0 460.711 3.993 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001314654685 1070769791 /nfs/dbraw/zinc/76/97/91/1070769791.db2.gz LCQVJFADDDWQMB-NRFANRHFSA-N 2 0 458.626 3.647 20 0 JHADRP C[NH+](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1cccs1 ZINC001314657226 1070776195 /nfs/dbraw/zinc/77/61/95/1070776195.db2.gz WXAWJZXXIQIHNS-HXUWFJFHSA-N 2 0 453.660 3.549 20 0 JHADRP C[NH+](C)[C@]1(Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCSC1 ZINC001314658066 1070778393 /nfs/dbraw/zinc/77/83/93/1070778393.db2.gz PYWIZJCNEBIMDW-QHCPKHFHSA-N 2 0 462.733 3.678 20 0 JHADRP C[NH+](C)[C@]1(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCSC1 ZINC001314658277 1070778910 /nfs/dbraw/zinc/77/89/10/1070778910.db2.gz WXUXQUKXYJXEEC-VWLOTQADSA-N 2 0 490.693 3.744 20 0 JHADRP C[NH+](C)C1(Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCOCC1 ZINC001314659816 1070782834 /nfs/dbraw/zinc/78/28/34/1070782834.db2.gz QMKZFOWSSFOBQU-UHFFFAOYSA-N 2 0 486.680 3.677 20 0 JHADRP Cn1cc(C[N@@H+]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CC(C)(C)C[NH+](C)C)CC2)cn1 ZINC001314665195 1070796719 /nfs/dbraw/zinc/79/67/19/1070796719.db2.gz DRMNJXOISJXMIG-UHFFFAOYSA-N 2 0 499.107 3.556 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313656232 1070848468 /nfs/dbraw/zinc/84/84/68/1070848468.db2.gz HLKFGKIRNZWJBH-ICSRJNTNSA-N 2 0 462.589 3.951 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001313657691 1070856388 /nfs/dbraw/zinc/85/63/88/1070856388.db2.gz NPNAFOOYCCAIDD-YPAWHYETSA-N 2 0 471.694 3.572 20 0 JHADRP Cc1ccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001309571881 1070864686 /nfs/dbraw/zinc/86/46/86/1070864686.db2.gz TUNGSEVQNQXVHX-AYRHNUGRSA-N 2 0 455.668 3.614 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC001313663481 1070872405 /nfs/dbraw/zinc/87/24/05/1070872405.db2.gz DEIJYXZFCHKYHA-SANMLTNESA-N 2 0 467.706 3.664 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)c1ccco1 ZINC001313663905 1070874280 /nfs/dbraw/zinc/87/42/80/1070874280.db2.gz IPLLFVNPKKDASM-VNXZQDSDSA-N 2 0 499.704 3.793 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccsc1 ZINC001313675203 1070915176 /nfs/dbraw/zinc/91/51/76/1070915176.db2.gz YALZUPNKPFLBLU-NRFANRHFSA-N 2 0 470.691 3.744 20 0 JHADRP CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001313700406 1070977479 /nfs/dbraw/zinc/97/74/79/1070977479.db2.gz TVDFZUKTIJIVPG-UHFFFAOYSA-N 2 0 495.716 3.715 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](C)[NH+](C)C)C1 ZINC001313703504 1070986720 /nfs/dbraw/zinc/98/67/20/1070986720.db2.gz XREWONFLYWABGI-ROUUACIJSA-N 2 0 493.494 3.834 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313713758 1071010821 /nfs/dbraw/zinc/01/08/21/1071010821.db2.gz UFVUHGPKSGUXPR-ISKFKSNPSA-N 2 0 453.679 3.552 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313727607 1071037203 /nfs/dbraw/zinc/03/72/03/1071037203.db2.gz VQZSTAKMTFKOSP-CAOCKLPOSA-N 2 0 484.737 3.961 20 0 JHADRP CC[N@H+](CCn1c(C2CCCC2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C)CCC(F)(F)F ZINC001313814965 1071259947 /nfs/dbraw/zinc/25/99/47/1071259947.db2.gz RTAFXQWYLBJHBT-IBGZPJMESA-N 2 0 486.627 3.900 20 0 JHADRP CC[N@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001313819579 1071274599 /nfs/dbraw/zinc/27/45/99/1071274599.db2.gz CENVRYOGGRLROX-UHFFFAOYSA-N 2 0 458.626 3.791 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313859288 1071363475 /nfs/dbraw/zinc/36/34/75/1071363475.db2.gz FNKZYMIJWSNHHL-LNLFQRSKSA-N 2 0 480.499 3.931 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313860827 1071371833 /nfs/dbraw/zinc/37/18/33/1071371833.db2.gz OPVFDGKMTLNWGE-YZIHRLCOSA-N 2 0 499.729 3.503 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001313860417 1071370052 /nfs/dbraw/zinc/37/00/52/1071370052.db2.gz KLUFOHYZMCUVHS-KFWWJZLASA-N 2 0 455.470 3.638 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001313860418 1071370212 /nfs/dbraw/zinc/37/02/12/1071370212.db2.gz KLUFOHYZMCUVHS-KKUMJFAQSA-N 2 0 455.470 3.638 20 0 JHADRP C[N@@H+]1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001314930419 1071373754 /nfs/dbraw/zinc/37/37/54/1071373754.db2.gz DXCNOLJPNINVPZ-UHFFFAOYSA-N 2 0 474.097 3.545 20 0 JHADRP C[N@@H+]1CCN(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC001314931125 1071374829 /nfs/dbraw/zinc/37/48/29/1071374829.db2.gz NNIXUMFQCMNKLD-UHFFFAOYSA-N 2 0 473.754 3.595 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313865911 1071394633 /nfs/dbraw/zinc/39/46/33/1071394633.db2.gz IWICSRXZRUETOO-NHCUHLMSSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313869748 1071410136 /nfs/dbraw/zinc/41/01/36/1071410136.db2.gz QMHYSPYLSAGYKJ-SXWKCWPCSA-N 2 0 475.081 3.874 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001313869694 1071409176 /nfs/dbraw/zinc/40/91/76/1071409176.db2.gz QLJKXOZLGWTBMK-CNNODRBYSA-N 2 0 482.629 3.777 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313871562 1071417438 /nfs/dbraw/zinc/41/74/38/1071417438.db2.gz UKPLFYBWCMWGRR-QZTJIDSGSA-N 2 0 479.044 3.767 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313871799 1071418232 /nfs/dbraw/zinc/41/82/32/1071418232.db2.gz HNXWSSFPTGETSG-QNWVGRARSA-N 2 0 456.679 3.773 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@@H]1C ZINC001313872806 1071422071 /nfs/dbraw/zinc/42/20/71/1071422071.db2.gz XIZKWPBUFKVKRR-VXKWHMMOSA-N 2 0 460.711 3.819 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313873618 1071425624 /nfs/dbraw/zinc/42/56/24/1071425624.db2.gz MOFQCGGIJNJFSI-ACRUOGEOSA-N 2 0 458.626 3.504 20 0 JHADRP CC[NH+]1CCC(CCn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313880238 1071451879 /nfs/dbraw/zinc/45/18/79/1071451879.db2.gz RHOOMFWBQWNZFV-HSZRJFAPSA-N 2 0 460.711 3.852 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001313890663 1071483282 /nfs/dbraw/zinc/48/32/82/1071483282.db2.gz OIGVCLXBZMYARI-FQEVSTJZSA-N 2 0 470.662 3.615 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001313892488 1071487631 /nfs/dbraw/zinc/48/76/31/1071487631.db2.gz YPXRCHJZKJUDFY-GOSISDBHSA-N 2 0 493.469 3.967 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001313892490 1071487804 /nfs/dbraw/zinc/48/78/04/1071487804.db2.gz YPXRCHJZKJUDFY-SFHVURJKSA-N 2 0 493.469 3.967 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313911592 1071537620 /nfs/dbraw/zinc/53/76/20/1071537620.db2.gz DPDNZSQLGNKQOH-OAQYLSRUSA-N 2 0 470.662 3.661 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313923922 1071568849 /nfs/dbraw/zinc/56/88/49/1071568849.db2.gz BBDAURNDGLCHLR-IBGZPJMESA-N 2 0 492.087 3.684 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313926023 1071574678 /nfs/dbraw/zinc/57/46/78/1071574678.db2.gz DKXIFBGMGSWNRZ-RUZDIDTESA-N 2 0 495.760 3.790 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313928481 1071583704 /nfs/dbraw/zinc/58/37/04/1071583704.db2.gz PJIFABVDAFBNOY-HSZRJFAPSA-N 2 0 499.723 3.592 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313931187 1071591021 /nfs/dbraw/zinc/59/10/21/1071591021.db2.gz BKABDMYQDCDTIW-PKTZIBPZSA-N 2 0 481.689 3.942 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313935853 1071607322 /nfs/dbraw/zinc/60/73/22/1071607322.db2.gz JRNTXHJIGKGKTH-YADHBBJMSA-N 2 0 454.663 3.996 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001313940854 1071615483 /nfs/dbraw/zinc/61/54/83/1071615483.db2.gz PNKOBHAVHHKWJG-CTNGQTDRSA-N 2 0 459.708 3.532 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1C ZINC001313937927 1071611574 /nfs/dbraw/zinc/61/15/74/1071611574.db2.gz XNTDHLWMOWUGTG-LJQANCHMSA-N 2 0 484.048 3.513 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1)c1ccsc1 ZINC001313940331 1071614723 /nfs/dbraw/zinc/61/47/23/1071614723.db2.gz VWAPOYUKCMTORL-UGKGYDQZSA-N 2 0 455.676 3.959 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313942564 1071620760 /nfs/dbraw/zinc/62/07/60/1071620760.db2.gz KAAGIYXPJBITBY-PKTZIBPZSA-N 2 0 454.663 3.552 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313946697 1071629229 /nfs/dbraw/zinc/62/92/29/1071629229.db2.gz TZOZGOIPQPOCOB-XPWALMASSA-N 2 0 468.690 3.776 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313947172 1071631194 /nfs/dbraw/zinc/63/11/94/1071631194.db2.gz FZQUPBOZMVEJAA-PWRODBHTSA-N 2 0 478.751 3.555 20 0 JHADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccccc4C)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001313947517 1071632343 /nfs/dbraw/zinc/63/23/43/1071632343.db2.gz BASLWVBYXWNUDQ-SANMLTNESA-N 2 0 481.733 3.512 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001313949032 1071634579 /nfs/dbraw/zinc/63/45/79/1071634579.db2.gz GSBJLZBKZNXCPU-JOCHJYFZSA-N 2 0 488.124 3.793 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313949378 1071636346 /nfs/dbraw/zinc/63/63/46/1071636346.db2.gz PLAWZCTUUUNNFZ-MDNUFGMLSA-N 2 0 460.711 3.992 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313949379 1071636423 /nfs/dbraw/zinc/63/64/23/1071636423.db2.gz PLAWZCTUUUNNFZ-YMPZKCBVSA-N 2 0 460.711 3.992 20 0 JHADRP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)CCOC1 ZINC001314125186 1072032008 /nfs/dbraw/zinc/03/20/08/1072032008.db2.gz OPNOVSBBDLNBJW-MHZLTWQESA-N 2 0 490.737 3.753 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314125665 1072033606 /nfs/dbraw/zinc/03/36/06/1072033606.db2.gz OZXQOHMWBUUUGL-ONBPZOJHSA-N 2 0 490.737 3.609 20 0 JHADRP CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986501 1068338155 /nfs/dbraw/zinc/33/81/55/1068338155.db2.gz XLUSGKUODPSSQZ-LEWJYISDSA-N 2 0 454.663 3.823 20 0 JHADRP CCc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001306208353 1068599757 /nfs/dbraw/zinc/59/97/57/1068599757.db2.gz YJKZKIZPLASUGK-UHFFFAOYSA-N 2 0 456.635 3.538 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCCC[C@H]2CC)CC[NH+]1CCOC ZINC001306317682 1068739103 /nfs/dbraw/zinc/73/91/03/1068739103.db2.gz BNYARSILBKAYMR-FGZHOGPDSA-N 2 0 472.653 3.896 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)CC[N@@H+]1CCOC ZINC001306406528 1068877252 /nfs/dbraw/zinc/87/72/52/1068877252.db2.gz YZEURNCDEOYRIT-PKTZIBPZSA-N 2 0 472.678 3.762 20 0 JHADRP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306439972 1068947170 /nfs/dbraw/zinc/94/71/70/1068947170.db2.gz CEVKBEGPTMGWKH-VDKIKQQVSA-N 2 0 497.732 3.567 20 0 JHADRP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC001306586538 1069253325 /nfs/dbraw/zinc/25/33/25/1069253325.db2.gz IDBHYYYPZPCUQS-LADGPHEKSA-N 2 0 452.599 3.539 20 0 JHADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001306599256 1069275156 /nfs/dbraw/zinc/27/51/56/1069275156.db2.gz UMJUOPAYSVNFKX-UHFFFAOYSA-N 2 0 451.434 3.561 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H](c4ncn5c4cccc5Br)C3)c2)CC1 ZINC001164416684 718891165 /nfs/dbraw/zinc/89/11/65/718891165.db2.gz FPRUUBVGDGAQNE-LJQANCHMSA-N 2 0 472.387 3.543 20 0 JHADRP CCOC(=O)c1c[nH]c2cc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)[nH+]cc21 ZINC001164710441 720136844 /nfs/dbraw/zinc/13/68/44/720136844.db2.gz BMWVLGYLDSDLRD-HXUWFJFHSA-N 2 0 463.582 3.642 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831167 720351061 /nfs/dbraw/zinc/35/10/61/720351061.db2.gz XXPIADCGGMLPBC-SDHSZQHLSA-N 2 0 453.675 3.930 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4nc(C(=O)NCc5ccccc5)sc4CC3)c2)CC1 ZINC001164844885 720747241 /nfs/dbraw/zinc/74/72/41/720747241.db2.gz UZXGNDNEUVIGGE-UHFFFAOYSA-N 2 0 477.634 3.546 20 0 JHADRP c1ncn(C[C@H]2C[C@@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745201 720850474 /nfs/dbraw/zinc/85/04/74/720850474.db2.gz MPJPVXWGDVUPTB-VDKIKQQVSA-N 2 0 457.626 3.806 20 0 JHADRP C[N@H+](Cc1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754605 720919419 /nfs/dbraw/zinc/91/94/19/720919419.db2.gz WEHLQFFUVHHLJD-LBNVMWSVSA-N 2 0 461.654 3.826 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164897471 721446527 /nfs/dbraw/zinc/44/65/27/721446527.db2.gz UDQGJRVQQCBJSE-WEWMWRJBSA-N 2 0 455.691 3.784 20 0 JHADRP CNC(=O)N[C@@H]1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)c2ccc(C)cc21 ZINC001164898199 721493057 /nfs/dbraw/zinc/49/30/57/721493057.db2.gz GAUFHPOUBDNNIB-XMMPIXPASA-N 2 0 463.626 3.775 20 0 JHADRP FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)cn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912274 721737127 /nfs/dbraw/zinc/73/71/27/721737127.db2.gz NPTCIPZJNVHGHN-DEOSSOPVSA-N 2 0 457.569 3.593 20 0 JHADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164924289 721875834 /nfs/dbraw/zinc/87/58/34/721875834.db2.gz KPCQZRDOIQVVAW-LOSJGSFVSA-N 2 0 496.099 3.971 20 0 JHADRP Cc1cncc(COCc2cnc3n2CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)[C@H]3C)c1 ZINC001164964433 722063405 /nfs/dbraw/zinc/06/34/05/722063405.db2.gz GSHKGAJYUPEIKV-FQEVSTJZSA-N 2 0 462.598 3.753 20 0 JHADRP Cc1nc(CO[C@@H]2COC3(C2)CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)cs1 ZINC001165010997 722273311 /nfs/dbraw/zinc/27/33/11/722273311.db2.gz YOCPENZIYYAFEG-QFIPXVFZSA-N 2 0 458.628 3.664 20 0 JHADRP COc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC001311343286 1069330530 /nfs/dbraw/zinc/33/05/30/1069330530.db2.gz CRXFFLZPYSYRBI-NZJKTDFXSA-N 2 0 450.627 3.899 20 0 JHADRP COc1ccc([C@H](CNC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC001311350619 1069336892 /nfs/dbraw/zinc/33/68/92/1069336892.db2.gz WKDKCAUAIICQNN-NVQXNPDNSA-N 2 0 454.615 3.518 20 0 JHADRP CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)NC[C@H](C(C)C)[NH+]3CCC(C)CC3)CC2)cc1 ZINC001311393659 1069360113 /nfs/dbraw/zinc/36/01/13/1069360113.db2.gz SQNJXXXQXZLYLB-RUZDIDTESA-N 2 0 457.663 3.665 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306648486 1069360032 /nfs/dbraw/zinc/36/00/32/1069360032.db2.gz RHJXYLLWMUEIRN-UPVQGACJSA-N 2 0 468.690 3.923 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC ZINC001306652774 1069364348 /nfs/dbraw/zinc/36/43/48/1069364348.db2.gz YDYXMXZCUIOMCQ-ZEQRLZLVSA-N 2 0 454.663 3.757 20 0 JHADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001311440196 1069381211 /nfs/dbraw/zinc/38/12/11/1069381211.db2.gz CGQWZTKFBZXVNB-FTJBHMTQSA-N 2 0 458.691 3.718 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001306681486 1069410486 /nfs/dbraw/zinc/41/04/86/1069410486.db2.gz ZUWQVCATRWRDMB-UHFFFAOYSA-N 2 0 487.737 3.727 20 0 JHADRP CCCC[N@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001306686269 1069422352 /nfs/dbraw/zinc/42/23/52/1069422352.db2.gz CQKTWBIDZBEGQR-CTNGQTDRSA-N 2 0 461.054 3.915 20 0 JHADRP CC1CC[NH+]([C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cccs2)CC1 ZINC001311569760 1069442136 /nfs/dbraw/zinc/44/21/36/1069442136.db2.gz GTSZLGOMXRNCDF-DHIUTWEWSA-N 2 0 456.656 3.587 20 0 JHADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001311725264 1069522633 /nfs/dbraw/zinc/52/26/33/1069522633.db2.gz ALOZBXOMFWWQTN-SANMLTNESA-N 2 0 450.627 3.629 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306786994 1069590487 /nfs/dbraw/zinc/59/04/87/1069590487.db2.gz ZFFYQYJQEWMGGB-UKILVPOCSA-N 2 0 468.690 3.778 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC001306805304 1069615658 /nfs/dbraw/zinc/61/56/58/1069615658.db2.gz XVDWIIJEUDNZHI-VWNXMTODSA-N 2 0 454.663 3.962 20 0 JHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001311956046 1069634765 /nfs/dbraw/zinc/63/47/65/1069634765.db2.gz FXHQKLXSOQIUPC-RDGATRHJSA-N 2 0 450.627 3.729 20 0 JHADRP CCC[NH+]1CCC(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001307033887 1069749072 /nfs/dbraw/zinc/74/90/72/1069749072.db2.gz NMRARRBQAQYLOS-FQEVSTJZSA-N 2 0 470.662 3.615 20 0 JHADRP CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC001307043890 1069775338 /nfs/dbraw/zinc/77/53/38/1069775338.db2.gz MAWTXDSJVZTBOA-UHFFFAOYSA-N 2 0 487.781 3.984 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC001307044570 1069777783 /nfs/dbraw/zinc/77/77/83/1069777783.db2.gz RCVFUGTYJGULGI-SMIHKQSGSA-N 2 0 473.754 3.593 20 0 JHADRP CCC[NH+]1CCC(Cn2c(COc3ccccc3OC)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001307046565 1069786186 /nfs/dbraw/zinc/78/61/86/1069786186.db2.gz QOYBQXBQXYJZCF-UHFFFAOYSA-N 2 0 484.689 3.908 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001307047988 1069792125 /nfs/dbraw/zinc/79/21/25/1069792125.db2.gz IUJMIDDXZZGIDF-QHCPKHFHSA-N 2 0 453.679 3.839 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001307048031 1069792585 /nfs/dbraw/zinc/79/25/85/1069792585.db2.gz KHGXEYREQVMTBI-LJQANCHMSA-N 2 0 460.617 3.942 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCSCC2)CC1 ZINC001307052703 1069809325 /nfs/dbraw/zinc/80/93/25/1069809325.db2.gz FCYIKMLTEINLCA-UHFFFAOYSA-N 2 0 472.703 3.525 20 0 JHADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001307057453 1069833998 /nfs/dbraw/zinc/83/39/98/1069833998.db2.gz FWXBJPNBUNASKE-NRFANRHFSA-N 2 0 459.708 3.819 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001307058169 1069835835 /nfs/dbraw/zinc/83/58/35/1069835835.db2.gz YIGOFYLFJJSDOO-IFMALSPDSA-N 2 0 470.662 3.757 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC001312657465 1070066228 /nfs/dbraw/zinc/06/62/28/1070066228.db2.gz XGNCBOQOUIOIAN-FQEVSTJZSA-N 2 0 451.453 3.929 20 0 JHADRP CCC[N@H+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674997 1070076157 /nfs/dbraw/zinc/07/61/57/1070076157.db2.gz NJCYVSUYJWUUEX-DHIUTWEWSA-N 2 0 450.071 3.533 20 0 JHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC001307743403 1070162118 /nfs/dbraw/zinc/16/21/18/1070162118.db2.gz GNCYUWGBPGMLMP-UHFFFAOYSA-N 2 0 453.602 3.850 20 0 JHADRP CCOCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001314384160 1070228036 /nfs/dbraw/zinc/22/80/36/1070228036.db2.gz BJZIDMOYVZHBBT-QFIPXVFZSA-N 2 0 470.662 3.581 20 0 JHADRP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[NH+]2CCCCCC2)cc1 ZINC001309049395 1070507612 /nfs/dbraw/zinc/50/76/12/1070507612.db2.gz CKBYZQUHFRIOQY-IZZNHLLZSA-N 2 0 455.668 3.758 20 0 JHADRP C[NH+](C)Cc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001314667089 1070800780 /nfs/dbraw/zinc/80/07/80/1070800780.db2.gz DNSWGHNQPDPCQU-UHFFFAOYSA-N 2 0 461.658 3.684 20 0 JHADRP C[NH+](C)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314671780 1070816268 /nfs/dbraw/zinc/81/62/68/1070816268.db2.gz WCBGBQHINKHTBX-UHFFFAOYSA-N 2 0 454.619 3.580 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)c1ccco1 ZINC001313663907 1070874212 /nfs/dbraw/zinc/87/42/12/1070874212.db2.gz IPLLFVNPKKDASM-XPPIMPSXSA-N 2 0 499.704 3.793 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001313695507 1070960095 /nfs/dbraw/zinc/96/00/95/1070960095.db2.gz PRNITSXPILSDIY-UPVQGACJSA-N 2 0 454.663 3.786 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[NH+]2CCC[C@@H]2CO)C1 ZINC001314748222 1070997050 /nfs/dbraw/zinc/99/70/50/1070997050.db2.gz BZONZLUCMXKEBV-BJKOFHAPSA-N 2 0 468.690 3.523 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001313711980 1071007472 /nfs/dbraw/zinc/00/74/72/1071007472.db2.gz JTWMDFGJPXERSP-XZOQPEGZSA-N 2 0 453.679 3.552 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001313725427 1071032643 /nfs/dbraw/zinc/03/26/43/1071032643.db2.gz IXSWOJFXOWGJQN-QPPBQGQZSA-N 2 0 454.663 3.522 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001313727756 1071037698 /nfs/dbraw/zinc/03/76/98/1071037698.db2.gz FXUSXYXBXNDAQN-ISJGIBHGSA-N 2 0 481.733 3.998 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+]2CCCC[C@@H]2C1)C(C)C ZINC001313802246 1071208230 /nfs/dbraw/zinc/20/82/30/1071208230.db2.gz CVQUHPAMNQAEKJ-HXUWFJFHSA-N 2 0 462.589 3.951 20 0 JHADRP CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC001313807713 1071229464 /nfs/dbraw/zinc/22/94/64/1071229464.db2.gz WEUXPYZYZIPNLF-UHFFFAOYSA-N 2 0 454.663 3.532 20 0 JHADRP CC[N@H+](CCn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313810195 1071240174 /nfs/dbraw/zinc/24/01/74/1071240174.db2.gz MATARRWTDNGILI-UHFFFAOYSA-N 2 0 465.568 3.679 20 0 JHADRP CC[N@H+](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](C(C)C)CC1)C(C)C ZINC001313810899 1071244014 /nfs/dbraw/zinc/24/40/14/1071244014.db2.gz ZZYYQHSGXMVCLQ-UHFFFAOYSA-N 2 0 451.619 3.861 20 0 JHADRP CC[N@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)C ZINC001313819022 1071271097 /nfs/dbraw/zinc/27/10/97/1071271097.db2.gz FUHMGJHEZBLUTQ-BJKOFHAPSA-N 2 0 499.773 3.703 20 0 JHADRP CC[N@H+](CCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313822647 1071286266 /nfs/dbraw/zinc/28/62/66/1071286266.db2.gz UKMCGCIIQMTTNR-QHCPKHFHSA-N 2 0 484.689 3.585 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001313859783 1071365934 /nfs/dbraw/zinc/36/59/34/1071365934.db2.gz ICAOYHHSNOYUQK-FIXSFTCYSA-N 2 0 498.716 3.801 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001313859284 1071362958 /nfs/dbraw/zinc/36/29/58/1071362958.db2.gz FJVUWKLXVHMUBQ-SLFFLAALSA-N 2 0 458.626 3.960 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CC=CCC2)C[C@H]1C ZINC001313859711 1071364427 /nfs/dbraw/zinc/36/44/27/1071364427.db2.gz GXSMGEMJVKTIEM-HKBOAZHASA-N 2 0 456.610 3.738 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001313859784 1071365259 /nfs/dbraw/zinc/36/52/59/1071365259.db2.gz ICAOYHHSNOYUQK-GPXNEJASSA-N 2 0 498.716 3.801 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313861281 1071372931 /nfs/dbraw/zinc/37/29/31/1071372931.db2.gz QCGFUZUVOKHETK-FCHUYYIVSA-N 2 0 482.677 3.501 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C)C(C)C)C[C@H]1C ZINC001313864604 1071387704 /nfs/dbraw/zinc/38/77/04/1071387704.db2.gz ZDCTWUHFVHDJAU-QZTJIDSGSA-N 2 0 463.468 3.967 20 0 JHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1)C[C@H]1CCCCO1 ZINC001310489569 1071427591 /nfs/dbraw/zinc/42/75/91/1071427591.db2.gz IGFCSVBFZWNRGD-SDHSZQHLSA-N 2 0 458.647 3.529 20 0 JHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1)C[C@@H]1CCCCO1 ZINC001310489567 1071427624 /nfs/dbraw/zinc/42/76/24/1071427624.db2.gz IGFCSVBFZWNRGD-GVAUOCQISA-N 2 0 458.647 3.529 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313874506 1071428913 /nfs/dbraw/zinc/42/89/13/1071428913.db2.gz IHLCEZHFNMUAIF-PTUXOGIPSA-N 2 0 470.710 3.569 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313874507 1071428970 /nfs/dbraw/zinc/42/89/70/1071428970.db2.gz IHLCEZHFNMUAIF-VJBMBRPKSA-N 2 0 470.710 3.569 20 0 JHADRP CC[NH+]1CCC(CCn2c(C(C)C)nnc2N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001313875731 1071436134 /nfs/dbraw/zinc/43/61/34/1071436134.db2.gz JVGACRYHGICTTM-UHFFFAOYSA-N 2 0 467.706 3.782 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001313878797 1071445903 /nfs/dbraw/zinc/44/59/03/1071445903.db2.gz VTSRGOGCBCVFDN-GOTSBHOMSA-N 2 0 454.663 3.960 20 0 JHADRP CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001313882870 1071459642 /nfs/dbraw/zinc/45/96/42/1071459642.db2.gz NRWYYYBOKZNFKZ-OAQYLSRUSA-N 2 0 454.663 3.530 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001313890143 1071482459 /nfs/dbraw/zinc/48/24/59/1071482459.db2.gz MIXQFFPZKNQXNV-QZTJIDSGSA-N 2 0 491.478 3.588 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313896188 1071499375 /nfs/dbraw/zinc/49/93/75/1071499375.db2.gz NFXLCPXLXSAGAD-QFIPXVFZSA-N 2 0 470.662 3.756 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313905727 1071522150 /nfs/dbraw/zinc/52/21/50/1071522150.db2.gz QXRVCINHWCDACU-JOCHJYFZSA-N 2 0 470.662 3.757 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313934992 1071604187 /nfs/dbraw/zinc/60/41/87/1071604187.db2.gz UOVKZUMIPZPEBV-OALUTQOASA-N 2 0 492.510 3.841 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC001313942376 1071620241 /nfs/dbraw/zinc/62/02/41/1071620241.db2.gz IFAUDUCJDMJYMJ-DHIUTWEWSA-N 2 0 478.689 3.800 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001313944462 1071624930 /nfs/dbraw/zinc/62/49/30/1071624930.db2.gz CDELGQCEFBASKS-NZQKXSOJSA-N 2 0 474.097 3.545 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001313946650 1071629139 /nfs/dbraw/zinc/62/91/39/1071629139.db2.gz SOQMCTNGEUQEKX-OFNKIYASSA-N 2 0 454.663 3.528 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001313948592 1071633874 /nfs/dbraw/zinc/63/38/74/1071633874.db2.gz LSLNSOHZMJXMHH-HSZRJFAPSA-N 2 0 499.773 3.683 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCC[C@@H]2C)C[C@H]1C ZINC001313948934 1071634475 /nfs/dbraw/zinc/63/44/75/1071634475.db2.gz MHIQFLWFTIFIJA-VQTJNVASSA-N 2 0 458.676 3.594 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313949373 1071635802 /nfs/dbraw/zinc/63/58/02/1071635802.db2.gz PHMWMFPTJJTYQB-GOTSBHOMSA-N 2 0 486.730 3.766 20 0 JHADRP CCN1CC[NH+](CCCCn2c(-c3cccc(Cl)c3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001313952111 1071644473 /nfs/dbraw/zinc/64/44/73/1071644473.db2.gz NCGLCRBNGNHRFV-OAQYLSRUSA-N 2 0 474.097 3.547 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCOC1 ZINC001314125661 1072033569 /nfs/dbraw/zinc/03/35/69/1072033569.db2.gz OZXQOHMWBUUUGL-FKCDAAJZSA-N 2 0 490.737 3.609 20 0 JHADRP CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306091561 1068515313 /nfs/dbraw/zinc/51/53/13/1068515313.db2.gz ZDHUEFMMFXZPFT-DNQXCXABSA-N 2 0 481.733 3.855 20 0 JHADRP CC[C@H]1CN(c2nnc(C(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001306386598 1068820492 /nfs/dbraw/zinc/82/04/92/1068820492.db2.gz JYVFWKFOVOYSCN-LEWJYISDSA-N 2 0 460.692 3.847 20 0 JHADRP CC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001306391024 1068830574 /nfs/dbraw/zinc/83/05/74/1068830574.db2.gz VMNVFBAFCPSVJK-UKILVPOCSA-N 2 0 498.716 3.968 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306402491 1068863889 /nfs/dbraw/zinc/86/38/89/1068863889.db2.gz BAGSXNCGRXDYHZ-XZOQPEGZSA-N 2 0 484.620 3.836 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC001306408647 1068886592 /nfs/dbraw/zinc/88/65/92/1068886592.db2.gz CNDXUPXOELAVTP-QHCPKHFHSA-N 2 0 454.663 3.757 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306410133 1068890090 /nfs/dbraw/zinc/89/00/90/1068890090.db2.gz CYHIWYCYGZHQCQ-BHDDXSALSA-N 2 0 472.653 3.752 20 0 JHADRP CC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306424903 1068918223 /nfs/dbraw/zinc/91/82/23/1068918223.db2.gz HIMXUAHTVVJMNZ-GGAORHGYSA-N 2 0 460.711 3.993 20 0 JHADRP CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC001306440636 1068948238 /nfs/dbraw/zinc/94/82/38/1068948238.db2.gz OAMLIXKOHLSKQS-QHCPKHFHSA-N 2 0 486.680 3.820 20 0 JHADRP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306447697 1068962137 /nfs/dbraw/zinc/96/21/37/1068962137.db2.gz VNDKURVCJZDNGV-CQOQZXRMSA-N 2 0 460.711 3.678 20 0 JHADRP CC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306450392 1068969532 /nfs/dbraw/zinc/96/95/32/1068969532.db2.gz MGFPQCNGYHJAJT-LOSJGSFVSA-N 2 0 482.717 3.731 20 0 JHADRP CC[NH+]1CCN(c2cccc(NC(=O)Nc3ccc(N4CC[NH+](CC)CC4)cc3C)c2)CC1 ZINC001310595757 1069039358 /nfs/dbraw/zinc/03/93/58/1069039358.db2.gz CCXOZEPRIVXZML-UHFFFAOYSA-N 2 0 450.631 3.923 20 0 JHADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC(C4C[NH2+]C4)CC3)c21 ZINC001164615885 719037440 /nfs/dbraw/zinc/03/74/40/719037440.db2.gz RRNARWVPYPYAFQ-UHFFFAOYSA-N 2 0 467.013 3.833 20 0 JHADRP CC(C)n1nc(CN(c2nccs2)c2cc(OC3CC[NH+](C)CC3)ccn2)c2c1C[NH2+]CC2 ZINC001164710690 720091604 /nfs/dbraw/zinc/09/16/04/720091604.db2.gz LCPJDYKPORYWRR-UHFFFAOYSA-N 2 0 467.643 3.773 20 0 JHADRP c1ncn(C[C@H]2C[C@@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738367 720821730 /nfs/dbraw/zinc/82/17/30/720821730.db2.gz FBOGPNIDCPZKEB-STROYTFGSA-N 2 0 483.664 3.611 20 0 JHADRP Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(N2CCCC2)[nH+]1 ZINC001164747234 720874001 /nfs/dbraw/zinc/87/40/01/720874001.db2.gz AUJVEJLJZXRVES-IGKIAQTJSA-N 2 0 462.642 3.535 20 0 JHADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164784486 721460932 /nfs/dbraw/zinc/46/09/32/721460932.db2.gz IKQJEHUROTXDLF-JOCHJYFZSA-N 2 0 469.626 3.986 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2)CC1 ZINC001164913990 721734764 /nfs/dbraw/zinc/73/47/64/721734764.db2.gz ZVWIUXJJMUEHLY-DEOSSOPVSA-N 3 0 457.569 3.687 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)cc2)CC1 ZINC001311358293 1069341820 /nfs/dbraw/zinc/34/18/20/1069341820.db2.gz RDSJRPNZZDXBCP-JOCHJYFZSA-N 2 0 451.659 3.753 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC001306646586 1069357137 /nfs/dbraw/zinc/35/71/37/1069357137.db2.gz LZTMOGAULACWOG-RTWAWAEBSA-N 2 0 475.081 3.877 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306648484 1069359751 /nfs/dbraw/zinc/35/97/51/1069359751.db2.gz RHJXYLLWMUEIRN-LADGPHEKSA-N 2 0 468.690 3.923 20 0 JHADRP CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001306654680 1069366453 /nfs/dbraw/zinc/36/64/53/1069366453.db2.gz QZSYSNWBMLCQDB-ZEQRLZLVSA-N 2 0 467.706 3.752 20 0 JHADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001311432634 1069377528 /nfs/dbraw/zinc/37/75/28/1069377528.db2.gz JENWUGXVXSGYDA-RRPNLBNLSA-N 2 0 481.660 3.511 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC[NH+](CC)C2)CC1 ZINC001306677701 1069401532 /nfs/dbraw/zinc/40/15/32/1069401532.db2.gz AYOFNONLRABGDV-QHCPKHFHSA-N 2 0 453.679 3.939 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001306678179 1069402653 /nfs/dbraw/zinc/40/26/53/1069402653.db2.gz JBUUNENVHHREEX-DEOSSOPVSA-N 2 0 490.737 3.703 20 0 JHADRP CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001306679366 1069405078 /nfs/dbraw/zinc/40/50/78/1069405078.db2.gz IIQZFZWDGIZIAX-QHCPKHFHSA-N 2 0 467.662 3.554 20 0 JHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC001311497915 1069407202 /nfs/dbraw/zinc/40/72/02/1069407202.db2.gz SGCQHZLBVWKYPC-QFQXNSOFSA-N 2 0 450.627 3.627 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001306722423 1069460229 /nfs/dbraw/zinc/46/02/29/1069460229.db2.gz LBGBZFBDJMYINL-RBZQAINGSA-N 2 0 459.727 3.662 20 0 JHADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001306722396 1069460316 /nfs/dbraw/zinc/46/03/16/1069460316.db2.gz KQDZVIWZBAYEMG-QFIPXVFZSA-N 2 0 496.704 3.891 20 0 JHADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001306725888 1069467749 /nfs/dbraw/zinc/46/77/49/1069467749.db2.gz HQEKIHLROGWMKE-UGKGYDQZSA-N 2 0 459.708 3.819 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001306726019 1069467795 /nfs/dbraw/zinc/46/77/95/1069467795.db2.gz JFAZMYGIAUQPJQ-WMTXJRDZSA-N 2 0 453.679 3.837 20 0 JHADRP CC[NH+]1CCC(N2CCCN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)CC2)CC1 ZINC001311728240 1069524569 /nfs/dbraw/zinc/52/45/69/1069524569.db2.gz TWGUEABJFUETOP-UHFFFAOYSA-N 2 0 455.691 3.764 20 0 JHADRP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819244 1069559344 /nfs/dbraw/zinc/55/93/44/1069559344.db2.gz HSGLXZZLGMBGNM-NFBKMPQASA-N 2 0 453.606 3.554 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001306779691 1069575836 /nfs/dbraw/zinc/57/58/36/1069575836.db2.gz IMAKEMZMMPIDIF-RUZDIDTESA-N 2 0 481.733 3.562 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[NH+](CC)C2)C1 ZINC001306780012 1069576818 /nfs/dbraw/zinc/57/68/18/1069576818.db2.gz KRPLACYGFNBDBL-RBUKOAKNSA-N 2 0 492.510 3.556 20 0 JHADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC001306985475 1069694308 /nfs/dbraw/zinc/69/43/08/1069694308.db2.gz BGUVXRYFDXIQJZ-UHFFFAOYSA-N 2 0 450.418 3.808 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001307032099 1069743132 /nfs/dbraw/zinc/74/31/32/1069743132.db2.gz AIKNTFNWMQXWDX-OAQYLSRUSA-N 2 0 454.663 3.996 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCOC)[C@@H](CC)C2)C1 ZINC001307035454 1069753830 /nfs/dbraw/zinc/75/38/30/1069753830.db2.gz UMTFGRTXJGXAOB-REWPJTCUSA-N 2 0 475.081 3.877 20 0 JHADRP CCC[NH+]1CCC(Cn2c(-c3ccccc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001307038463 1069761236 /nfs/dbraw/zinc/76/12/36/1069761236.db2.gz JXBVACARUDSAIQ-UHFFFAOYSA-N 2 0 454.663 3.996 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)C2CC[NH+](CCC)CC2)C1 ZINC001307046029 1069783773 /nfs/dbraw/zinc/78/37/73/1069783773.db2.gz QAJHVPKYUFRZMF-OAQYLSRUSA-N 2 0 454.663 3.996 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001307046945 1069787162 /nfs/dbraw/zinc/78/71/62/1069787162.db2.gz UJNRYCAGVGWHJC-VXKWHMMOSA-N 2 0 454.663 3.682 20 0 JHADRP CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001314201232 1069795199 /nfs/dbraw/zinc/79/51/99/1069795199.db2.gz VOTIJDFJPXRHIN-QFIPXVFZSA-N 2 0 482.673 3.999 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001307048114 1069792633 /nfs/dbraw/zinc/79/26/33/1069792633.db2.gz NHRQIHJJFLIIPU-ZEQRLZLVSA-N 2 0 482.717 3.987 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001307048155 1069793151 /nfs/dbraw/zinc/79/31/51/1069793151.db2.gz OTTUGRMPOPIUGH-QFIPXVFZSA-N 2 0 486.680 3.820 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001307049537 1069797984 /nfs/dbraw/zinc/79/79/84/1069797984.db2.gz OBMBECUYWGRFJC-XMMPIXPASA-N 2 0 481.689 3.798 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001307053169 1069811101 /nfs/dbraw/zinc/81/11/01/1069811101.db2.gz LJJUSXQLVUWKTM-QHCPKHFHSA-N 2 0 470.710 3.715 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001307053973 1069814664 /nfs/dbraw/zinc/81/46/64/1069814664.db2.gz JNTVOJVQRQPQJC-WXFUMESZSA-N 2 0 459.727 3.661 20 0 JHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001307511001 1070026123 /nfs/dbraw/zinc/02/61/23/1070026123.db2.gz UETDMHCCILRRQS-QFIPXVFZSA-N 2 0 458.474 3.861 20 0 JHADRP CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001314303530 1070089178 /nfs/dbraw/zinc/08/91/78/1070089178.db2.gz RYISJODFLKSGGE-LADGPHEKSA-N 2 0 454.663 3.790 20 0 JHADRP CCOCc1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314323431 1070108747 /nfs/dbraw/zinc/10/87/47/1070108747.db2.gz RUPZJVZINVPBLI-LEWJYISDSA-N 2 0 454.663 3.570 20 0 JHADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C[C@H]1C[NH+](C)C ZINC001312821931 1070143112 /nfs/dbraw/zinc/14/31/12/1070143112.db2.gz KWEWTATWXDQJEV-ZOCZFRKYSA-N 2 0 476.463 3.689 20 0 JHADRP CCOCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314389875 1070242452 /nfs/dbraw/zinc/24/24/52/1070242452.db2.gz FCXBGLLRUVLZAX-WLXPTCNVSA-N 2 0 460.711 3.883 20 0 JHADRP CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314395799 1070254828 /nfs/dbraw/zinc/25/48/28/1070254828.db2.gz GYVFRGQCGRWWLM-OFNKIYASSA-N 2 0 468.671 3.890 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001314397909 1070257962 /nfs/dbraw/zinc/25/79/62/1070257962.db2.gz XKKIWZDUVKSBDG-JOCHJYFZSA-N 2 0 454.663 3.567 20 0 JHADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001313137681 1070265929 /nfs/dbraw/zinc/26/59/29/1070265929.db2.gz FDUMHYIKOADIOQ-DGWZTRNLSA-N 2 0 455.691 3.631 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313449383 1070374695 /nfs/dbraw/zinc/37/46/95/1070374695.db2.gz DYFUICNQUOTBHU-FQEVSTJZSA-N 2 0 460.617 3.942 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1CC ZINC001314496105 1070416155 /nfs/dbraw/zinc/41/61/55/1070416155.db2.gz NFRFFRZJYWHDTM-GJZUVCINSA-N 2 0 486.730 3.628 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313656809 1070852842 /nfs/dbraw/zinc/85/28/42/1070852842.db2.gz LVEXHXJMDVULBN-FGZHOGPDSA-N 2 0 479.673 3.689 20 0 JHADRP Cc1ccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001309571882 1070864894 /nfs/dbraw/zinc/86/48/94/1070864894.db2.gz TUNGSEVQNQXVHX-DMTNHVFBSA-N 2 0 455.668 3.614 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313665433 1070880035 /nfs/dbraw/zinc/88/00/35/1070880035.db2.gz DVMKBLNEYUYGRE-PKTZIBPZSA-N 2 0 454.663 3.879 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001313668684 1070892750 /nfs/dbraw/zinc/89/27/50/1070892750.db2.gz RTHHQPDIIKNNQR-BJKOFHAPSA-N 2 0 498.716 3.894 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001313671042 1070898669 /nfs/dbraw/zinc/89/86/69/1070898669.db2.gz NLZWTQYSAKGDRT-DHIUTWEWSA-N 2 0 461.658 3.705 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccco1 ZINC001313672205 1070903347 /nfs/dbraw/zinc/90/33/47/1070903347.db2.gz FMCVNYHHOFAPCD-JOCHJYFZSA-N 2 0 451.619 3.983 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001313675758 1070918340 /nfs/dbraw/zinc/91/83/40/1070918340.db2.gz BIEWIFBXKKFVEW-DNQXCXABSA-N 2 0 454.663 3.786 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001313677419 1070925235 /nfs/dbraw/zinc/92/52/35/1070925235.db2.gz KFBVFHUGNQCBPO-ZEQRLZLVSA-N 2 0 454.663 3.643 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313691866 1070952662 /nfs/dbraw/zinc/95/26/62/1070952662.db2.gz ZJZCTZAZVGDPAM-FGZHOGPDSA-N 2 0 496.704 3.604 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001313693537 1070954591 /nfs/dbraw/zinc/95/45/91/1070954591.db2.gz ATLMHFFGAIIZPK-HSZRJFAPSA-N 2 0 460.711 3.995 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001313697468 1070967008 /nfs/dbraw/zinc/96/70/08/1070967008.db2.gz PRILIJXMKCMPNQ-UHFFFAOYSA-N 2 0 470.710 3.572 20 0 JHADRP CC[NH+](CC)Cc1ccccc1Cn1c(C(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001313701991 1070982008 /nfs/dbraw/zinc/98/20/08/1070982008.db2.gz DZUCKFLWLACXFD-UHFFFAOYSA-N 2 0 468.690 3.840 20 0 JHADRP CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC001313702021 1070982713 /nfs/dbraw/zinc/98/27/13/1070982713.db2.gz FRIXQLJUYUDISL-ZJSXRUAMSA-N 2 0 454.663 3.940 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[NH+]2CCC[C@@H]2CO)C1 ZINC001314748223 1070997067 /nfs/dbraw/zinc/99/70/67/1070997067.db2.gz BZONZLUCMXKEBV-DNQXCXABSA-N 2 0 468.690 3.523 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001313710651 1071004717 /nfs/dbraw/zinc/00/47/17/1071004717.db2.gz BIABIJPFSORIQU-NZQKXSOJSA-N 2 0 470.662 3.547 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313710667 1071005024 /nfs/dbraw/zinc/00/50/24/1071005024.db2.gz BQLUZBBNNUAESC-XZOQPEGZSA-N 2 0 453.679 3.552 20 0 JHADRP CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)CCC(F)(F)F ZINC001313810155 1071240451 /nfs/dbraw/zinc/24/04/51/1071240451.db2.gz LNRBBCAVRKNXBV-IBGZPJMESA-N 2 0 467.584 3.623 20 0 JHADRP CC[N@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C)CC1)C(C)C ZINC001313820445 1071277997 /nfs/dbraw/zinc/27/79/97/1071277997.db2.gz VZROYKSFFQFWCG-RUZDIDTESA-N 2 0 481.733 4.000 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313860448 1071369748 /nfs/dbraw/zinc/36/97/48/1071369748.db2.gz KZOGXBKBQQOQIF-JAXLGGSGSA-N 2 0 472.678 3.858 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001313864059 1071385545 /nfs/dbraw/zinc/38/55/45/1071385545.db2.gz FULNRCGOQFYXBP-VQTJNVASSA-N 2 0 470.662 3.756 20 0 JHADRP CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Cl ZINC001310447586 1071396386 /nfs/dbraw/zinc/39/63/86/1071396386.db2.gz UYMJVTPANMBRFY-QGZVFWFLSA-N 2 0 452.043 3.654 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001313868506 1071404355 /nfs/dbraw/zinc/40/43/55/1071404355.db2.gz NWHONMXFJQGGRO-DHIUTWEWSA-N 2 0 468.690 3.867 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313869739 1071410072 /nfs/dbraw/zinc/41/00/72/1071410072.db2.gz QMHYSPYLSAGYKJ-JTAQYXEDSA-N 2 0 475.081 3.874 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001313868851 1071406679 /nfs/dbraw/zinc/40/66/79/1071406679.db2.gz BNEQVFSGMDGOSQ-MZLICYQSSA-N 2 0 465.621 3.625 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001313869702 1071409351 /nfs/dbraw/zinc/40/93/51/1071409351.db2.gz QLJKXOZLGWTBMK-IPJJNNNSSA-N 2 0 482.629 3.777 20 0 JHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1)C[C@@H]1CCCCO1 ZINC001310489568 1071427664 /nfs/dbraw/zinc/42/76/64/1071427664.db2.gz IGFCSVBFZWNRGD-ISJGIBHGSA-N 2 0 458.647 3.529 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313874842 1071428533 /nfs/dbraw/zinc/42/85/33/1071428533.db2.gz OFRNEIQPUDGUOO-ZLNRFVROSA-N 2 0 461.658 3.703 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313878929 1071447012 /nfs/dbraw/zinc/44/70/12/1071447012.db2.gz WITVUJXYGZWPCK-DNQXCXABSA-N 2 0 498.716 3.628 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313887335 1071473136 /nfs/dbraw/zinc/47/31/36/1071473136.db2.gz UWGJUPFUNPSCPX-IBGZPJMESA-N 2 0 475.479 3.970 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313894615 1071493346 /nfs/dbraw/zinc/49/33/46/1071493346.db2.gz JDARQKXQYICTCV-NRFANRHFSA-N 2 0 459.708 3.532 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313946874 1071630390 /nfs/dbraw/zinc/63/03/90/1071630390.db2.gz DQHAPBLQHZYMNZ-FSSWDIPSSA-N 2 0 489.709 3.612 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313947196 1071630867 /nfs/dbraw/zinc/63/08/67/1071630867.db2.gz GJJQTWFSWNRZGM-UXHICEINSA-N 2 0 484.670 3.761 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001313947452 1071632362 /nfs/dbraw/zinc/63/23/62/1071632362.db2.gz HHLJVECSHAMBPP-SQJMNOBHSA-N 2 0 484.689 3.907 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001313948591 1071634170 /nfs/dbraw/zinc/63/41/70/1071634170.db2.gz LRICYCNZMBNJSA-LJQANCHMSA-N 2 0 458.676 3.594 20 0 JHADRP CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313955150 1071654911 /nfs/dbraw/zinc/65/49/11/1071654911.db2.gz XZISSGNCIGHOBV-JWQCQUIFSA-N 2 0 481.733 3.514 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313959087 1071665709 /nfs/dbraw/zinc/66/57/09/1071665709.db2.gz ZFZDVKQAZVPFDY-RUZDIDTESA-N 2 0 495.760 3.648 20 0 JHADRP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CCOC1 ZINC001314127925 1072038622 /nfs/dbraw/zinc/03/86/22/1072038622.db2.gz ZDXPYNAAUAAPCT-OFVILXPXSA-N 2 0 490.718 3.605 20 0 JHADRP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)CCOC1 ZINC001314127924 1072038857 /nfs/dbraw/zinc/03/88/57/1072038857.db2.gz ZDXPYNAAUAAPCT-BWKNWUBXSA-N 2 0 490.718 3.605 20 0 JHADRP CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001306091626 1068515086 /nfs/dbraw/zinc/51/50/86/1068515086.db2.gz ZZXQSIBWKMIAKF-HOFKKMOUSA-N 2 0 467.706 3.609 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCCC[C@@H]2CC)CC[NH+]1CCOC ZINC001306319823 1068746070 /nfs/dbraw/zinc/74/60/70/1068746070.db2.gz NMYNTAJWPLPOLP-FCHUYYIVSA-N 2 0 458.651 3.658 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306402489 1068864244 /nfs/dbraw/zinc/86/42/44/1068864244.db2.gz BAGSXNCGRXDYHZ-GOTSBHOMSA-N 2 0 484.620 3.836 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1CCOC ZINC001306413068 1068899559 /nfs/dbraw/zinc/89/95/59/1068899559.db2.gz YAXVWVOAOLOFEX-NRFANRHFSA-N 2 0 490.096 3.663 20 0 JHADRP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306447696 1068962259 /nfs/dbraw/zinc/96/22/59/1068962259.db2.gz VNDKURVCJZDNGV-AOHZBQACSA-N 2 0 460.711 3.678 20 0 JHADRP CCC[C@@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCOC ZINC001306615132 1069295390 /nfs/dbraw/zinc/29/53/90/1069295390.db2.gz DRBLRKHFTYUIJO-CLJLJLNGSA-N 2 0 468.690 3.826 20 0 JHADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164620774 719007994 /nfs/dbraw/zinc/00/79/94/719007994.db2.gz ZLVZTPBWAMEGML-SVEHJYQDSA-N 2 0 474.649 3.789 20 0 JHADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)nc1 ZINC001164687869 719687157 /nfs/dbraw/zinc/68/71/57/719687157.db2.gz WLUMYNXKFAJNAO-VWLOTQADSA-N 2 0 493.700 3.880 20 0 JHADRP Clc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c(n1)C[NH2+]CC2 ZINC001164755001 720905500 /nfs/dbraw/zinc/90/55/00/720905500.db2.gz XSXLKROCEWDVAR-QFQXNSOFSA-N 2 0 468.045 3.531 20 0 JHADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164747075 720937014 /nfs/dbraw/zinc/93/70/14/720937014.db2.gz BWCFITFRPWFGPG-UHSQPCAPSA-N 2 0 491.680 3.610 20 0 JHADRP c1ccc(C[NH+]2CCc3nc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164869450 721071553 /nfs/dbraw/zinc/07/15/53/721071553.db2.gz STYOVJIPQXFJDU-CLJLJLNGSA-N 2 0 455.606 3.515 20 0 JHADRP FC1(F)CCN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908707 721718536 /nfs/dbraw/zinc/71/85/36/721718536.db2.gz YSHFTWKJGNFTCY-DEOSSOPVSA-N 2 0 457.569 3.689 20 0 JHADRP FC1(F)CCN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164908710 721718655 /nfs/dbraw/zinc/71/86/55/721718655.db2.gz YSHFTWKJGNFTCY-XMMPIXPASA-N 2 0 457.569 3.689 20 0 JHADRP C[NH+](C)[C@H]1CCCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)C1 ZINC001165037844 721894727 /nfs/dbraw/zinc/89/47/27/721894727.db2.gz ZOKWIKYOOFZPQJ-IBGZPJMESA-N 2 0 455.002 3.927 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357594 1069340759 /nfs/dbraw/zinc/34/07/59/1069340759.db2.gz JVENAXOZTSLWSS-ATIYNZHBSA-N 2 0 451.659 3.623 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[NH+](C(C)(C)CC(C)(C)C)CC3)cc2)CC1 ZINC001311359514 1069343483 /nfs/dbraw/zinc/34/34/83/1069343483.db2.gz ZHAJJCBYBMEUDM-UHFFFAOYSA-N 2 0 457.707 3.866 20 0 JHADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC001311379582 1069352998 /nfs/dbraw/zinc/35/29/98/1069352998.db2.gz DGGRXBRHOZORLW-BJKOFHAPSA-N 2 0 455.691 3.849 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC ZINC001306652772 1069363951 /nfs/dbraw/zinc/36/39/51/1069363951.db2.gz YDYXMXZCUIOMCQ-DNQXCXABSA-N 2 0 454.663 3.757 20 0 JHADRP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001311440198 1069380938 /nfs/dbraw/zinc/38/09/38/1069380938.db2.gz CGQWZTKFBZXVNB-UIOOFZCWSA-N 2 0 458.691 3.718 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306682980 1069415344 /nfs/dbraw/zinc/41/53/44/1069415344.db2.gz RYOOTZJTYAGWCE-UHFFFAOYSA-N 2 0 479.044 3.771 20 0 JHADRP CCCC[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001306686496 1069423277 /nfs/dbraw/zinc/42/32/77/1069423277.db2.gz DCNPSJSFSWKYDV-XZOQPEGZSA-N 2 0 454.663 3.879 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306722729 1069461677 /nfs/dbraw/zinc/46/16/77/1069461677.db2.gz NDPSLMZCGVFSSS-WXFUMESZSA-N 2 0 460.711 3.995 20 0 JHADRP COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001311757946 1069534845 /nfs/dbraw/zinc/53/48/45/1069534845.db2.gz DYDLPHYMKKHWFB-RUZDIDTESA-N 2 0 450.627 3.729 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306786992 1069590620 /nfs/dbraw/zinc/59/06/20/1069590620.db2.gz ZFFYQYJQEWMGGB-ILBGXUMGSA-N 2 0 468.690 3.778 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001306802184 1069607969 /nfs/dbraw/zinc/60/79/69/1069607969.db2.gz HLRUBENIYAKCBJ-DLBZAZTESA-N 2 0 466.472 3.687 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306804653 1069614315 /nfs/dbraw/zinc/61/43/15/1069614315.db2.gz PMHKTEKYMZBXGL-ZDXQCDESSA-N 2 0 476.710 3.577 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001306808454 1069624848 /nfs/dbraw/zinc/62/48/48/1069624848.db2.gz MDWIKRFYRBTZRM-MYGLTJDJSA-N 2 0 491.725 3.700 20 0 JHADRP CC[NH+]1CCC(N2CCCN(C(=O)NCC3([NH2+][C@H](C)c4ccccc4)CCCC3)CC2)CC1 ZINC001311997580 1069658956 /nfs/dbraw/zinc/65/89/56/1069658956.db2.gz YUSHHDMSFQTPLZ-HSZRJFAPSA-N 2 0 455.691 3.852 20 0 JHADRP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001312180302 1069768418 /nfs/dbraw/zinc/76/84/18/1069768418.db2.gz UKUZMUUBBDFJLM-UHFFFAOYSA-N 2 0 456.675 3.871 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001307048264 1069793362 /nfs/dbraw/zinc/79/33/62/1069793362.db2.gz BVACIZZZPQDNKI-MHZLTWQESA-N 2 0 490.737 3.894 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001307048366 1069794003 /nfs/dbraw/zinc/79/40/03/1069794003.db2.gz RQVDRTWCUWPDTB-YADHBBJMSA-N 2 0 453.679 3.695 20 0 JHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC001312232799 1069796615 /nfs/dbraw/zinc/79/66/15/1069796615.db2.gz ZTEBAWIPYQARLU-AEFFLSMTSA-N 2 0 457.432 3.577 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001307052622 1069807952 /nfs/dbraw/zinc/80/79/52/1069807952.db2.gz ANJKQZCXTQAKLR-QFIPXVFZSA-N 2 0 454.663 3.818 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001307052356 1069808125 /nfs/dbraw/zinc/80/81/25/1069808125.db2.gz YGRNFQUCSOQSHX-JOCHJYFZSA-N 2 0 451.619 3.855 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001307053168 1069810719 /nfs/dbraw/zinc/81/07/19/1069810719.db2.gz LJJUSXQLVUWKTM-HSZRJFAPSA-N 2 0 470.710 3.715 20 0 JHADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001307056726 1069829668 /nfs/dbraw/zinc/82/96/68/1069829668.db2.gz FMBWFKXFQWBPJW-PKTZIBPZSA-N 2 0 460.711 3.680 20 0 JHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001312498406 1069974667 /nfs/dbraw/zinc/97/46/67/1069974667.db2.gz CKRQDZNPJCVNIM-SANMLTNESA-N 2 0 450.627 3.584 20 0 JHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@]3(C)CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001312615548 1070045882 /nfs/dbraw/zinc/04/58/82/1070045882.db2.gz OIFCDPAQVWVVSU-MHZLTWQESA-N 2 0 450.627 3.825 20 0 JHADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312801729 1070130723 /nfs/dbraw/zinc/13/07/23/1070130723.db2.gz ANULDHVVGPYXEO-FQEVSTJZSA-N 2 0 450.071 3.756 20 0 JHADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001312885019 1070167288 /nfs/dbraw/zinc/16/72/88/1070167288.db2.gz IMUZYKOOBCVCAE-IFMALSPDSA-N 2 0 470.580 3.582 20 0 JHADRP CCOCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314377180 1070218193 /nfs/dbraw/zinc/21/81/93/1070218193.db2.gz BPXDECXRBSQPFO-QHCPKHFHSA-N 2 0 458.626 3.711 20 0 JHADRP CCOCc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314376213 1070216169 /nfs/dbraw/zinc/21/61/69/1070216169.db2.gz LZOVMKRSICHMAT-UHFFFAOYSA-N 2 0 468.690 3.962 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314399868 1070260771 /nfs/dbraw/zinc/26/07/71/1070260771.db2.gz HGFKPGTXTCFGGA-DHIUTWEWSA-N 2 0 454.663 3.566 20 0 JHADRP FC(F)(F)c1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc4c(cn3)OCCO4)CC2)c1 ZINC001308195369 1070339261 /nfs/dbraw/zinc/33/92/61/1070339261.db2.gz AGEZKGWOVPCRDV-UHFFFAOYSA-N 2 0 450.505 3.564 20 0 JHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC001308226468 1070343586 /nfs/dbraw/zinc/34/35/86/1070343586.db2.gz SZNURKADUUYIQC-KRWDZBQOSA-N 2 0 457.924 3.640 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1CC ZINC001314492922 1070405972 /nfs/dbraw/zinc/40/59/72/1070405972.db2.gz BZORYYLUWOAXPO-DHLKQENFSA-N 2 0 468.690 3.785 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(N3CCC(C[NH+]4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313574649 1070689758 /nfs/dbraw/zinc/68/97/58/1070689758.db2.gz KSURXWXUZYSDDO-UHFFFAOYSA-N 2 0 468.690 3.624 20 0 JHADRP CN(c1nnc(CC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC001314667180 1070801284 /nfs/dbraw/zinc/80/12/84/1070801284.db2.gz IGNALKVFIUGWBT-UHFFFAOYSA-N 2 0 492.716 3.774 20 0 JHADRP C[NH+](C)CCOc1cccc(Cn2c(C3CCCC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001314668894 1070805843 /nfs/dbraw/zinc/80/58/43/1070805843.db2.gz SILUIHGGXOLBMG-UHFFFAOYSA-N 2 0 454.663 3.845 20 0 JHADRP CN(c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314692414 1070852967 /nfs/dbraw/zinc/85/29/67/1070852967.db2.gz BUIGPHAAUNCAFW-QHCPKHFHSA-N 2 0 468.690 3.688 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313667526 1070889342 /nfs/dbraw/zinc/88/93/42/1070889342.db2.gz LHKYHPLUGGMAEM-OAQYLSRUSA-N 2 0 472.678 3.907 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313667843 1070890260 /nfs/dbraw/zinc/89/02/60/1070890260.db2.gz LQEAUSHHOYIVMD-PCCBWWKXSA-N 2 0 491.725 3.700 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001313671833 1070900873 /nfs/dbraw/zinc/90/08/73/1070900873.db2.gz SXFUZDXJHRUFMZ-UKILVPOCSA-N 2 0 467.706 3.943 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313672341 1070903438 /nfs/dbraw/zinc/90/34/38/1070903438.db2.gz VQYJOESTZYXFPQ-FDFHNCONSA-N 2 0 488.746 3.986 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C(C)C)CC1)c1ccco1 ZINC001313673423 1070907082 /nfs/dbraw/zinc/90/70/82/1070907082.db2.gz QZVPYGZALIFECG-QFIPXVFZSA-N 2 0 451.619 3.855 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313691782 1070951926 /nfs/dbraw/zinc/95/19/26/1070951926.db2.gz XALAJMVSMNLPOP-WCYRKSIYSA-N 2 0 490.737 3.750 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313691780 1070952025 /nfs/dbraw/zinc/95/20/25/1070952025.db2.gz XALAJMVSMNLPOP-NOTUOJBMSA-N 2 0 490.737 3.750 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001313691781 1070952045 /nfs/dbraw/zinc/95/20/45/1070952045.db2.gz XALAJMVSMNLPOP-OBTVHEKISA-N 2 0 490.737 3.750 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001313694973 1070958843 /nfs/dbraw/zinc/95/88/43/1070958843.db2.gz YVZLKMHQNQOVCR-DEOSSOPVSA-N 2 0 467.706 3.943 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313695021 1070958861 /nfs/dbraw/zinc/95/88/61/1070958861.db2.gz ZQRQSVLGHMXJED-DHIUTWEWSA-N 2 0 467.706 3.943 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001313696923 1070965126 /nfs/dbraw/zinc/96/51/26/1070965126.db2.gz ZYQKLULFZHHWHA-OAQYLSRUSA-N 2 0 454.663 3.996 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001313698300 1070970296 /nfs/dbraw/zinc/97/02/96/1070970296.db2.gz WVYWDCHVNJWESX-UHFFFAOYSA-N 2 0 463.095 3.958 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001313701176 1070979461 /nfs/dbraw/zinc/97/94/61/1070979461.db2.gz BWZAKCWEFIQNGX-NLFFAJNJSA-N 2 0 472.703 3.559 20 0 JHADRP CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC001313702020 1070982771 /nfs/dbraw/zinc/98/27/71/1070982771.db2.gz FRIXQLJUYUDISL-XUZZJYLKSA-N 2 0 454.663 3.940 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[NH+]2CCC[C@H]2CO)C1 ZINC001314748224 1070996860 /nfs/dbraw/zinc/99/68/60/1070996860.db2.gz BZONZLUCMXKEBV-RPWUZVMVSA-N 2 0 468.690 3.523 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001313721073 1071022788 /nfs/dbraw/zinc/02/27/88/1071022788.db2.gz DHVDILZMQOGMML-MOPGFXCFSA-N 2 0 479.044 3.626 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313721345 1071023984 /nfs/dbraw/zinc/02/39/84/1071023984.db2.gz KIKSHIUGMWCWLW-IAGOWNOFSA-N 2 0 499.523 3.656 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313727336 1071036655 /nfs/dbraw/zinc/03/66/55/1071036655.db2.gz POXBRONLANBFBK-DHIUTWEWSA-N 2 0 454.663 3.879 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313811941 1071248636 /nfs/dbraw/zinc/24/86/36/1071248636.db2.gz MVMRQEVCTZFICA-NRFANRHFSA-N 2 0 470.662 3.757 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[NH+](C(C)C)CC1)C(C)C ZINC001313812226 1071249416 /nfs/dbraw/zinc/24/94/16/1071249416.db2.gz SZDLVKJUHQJQNQ-UHFFFAOYSA-N 2 0 493.494 3.977 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313860922 1071372077 /nfs/dbraw/zinc/37/20/77/1071372077.db2.gz NFKVCRCDUFAQGQ-WWMYMODYSA-N 2 0 475.479 3.967 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001313862721 1071378318 /nfs/dbraw/zinc/37/83/18/1071378318.db2.gz QQPVXWQDBDAJKX-UFYCRDLUSA-N 2 0 476.666 3.525 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001313867069 1071397183 /nfs/dbraw/zinc/39/71/83/1071397183.db2.gz JFWKFDPDHWOKJI-BJKOFHAPSA-N 2 0 481.733 3.998 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313868286 1071404343 /nfs/dbraw/zinc/40/43/43/1071404343.db2.gz NJBSCPSEGAZTHK-NJYVYQBISA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313873622 1071425412 /nfs/dbraw/zinc/42/54/12/1071425412.db2.gz MOUCJIBBNPLHOL-PMACEKPBSA-N 2 0 472.703 3.700 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313877309 1071440874 /nfs/dbraw/zinc/44/08/74/1071440874.db2.gz WMTQBAWTGUAICN-ODAXIHTASA-N 2 0 455.695 3.961 20 0 JHADRP CC[NH+]1CCC(CCn2c([C@H]3CCCOC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313880239 1071451896 /nfs/dbraw/zinc/45/18/96/1071451896.db2.gz RHOOMFWBQWNZFV-QHCPKHFHSA-N 2 0 460.711 3.852 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001313885614 1071467154 /nfs/dbraw/zinc/46/71/54/1071467154.db2.gz FEUSFMGXOIFBOZ-SFHVURJKSA-N 2 0 461.054 3.869 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313925386 1071574078 /nfs/dbraw/zinc/57/40/78/1071574078.db2.gz PHRUQGFHDBHPOT-ZCNNSNEGSA-N 2 0 492.087 3.683 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313928384 1071583821 /nfs/dbraw/zinc/58/38/21/1071583821.db2.gz BNTSAHQPHIWFRM-VWNXMTODSA-N 2 0 498.716 3.801 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCC[C@H]2C)C[C@@H]1C ZINC001313935803 1071607359 /nfs/dbraw/zinc/60/73/59/1071607359.db2.gz YXSXWRLIELPQHI-SJORKVTESA-N 2 0 479.442 3.861 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001313940856 1071615435 /nfs/dbraw/zinc/61/54/35/1071615435.db2.gz PNKOBHAVHHKWJG-PZJWPPBQSA-N 2 0 459.708 3.532 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313940575 1071615684 /nfs/dbraw/zinc/61/56/84/1071615684.db2.gz OAQRBDSMGVXNIJ-HXUWFJFHSA-N 2 0 459.708 3.820 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001313942773 1071621450 /nfs/dbraw/zinc/62/14/50/1071621450.db2.gz NOPWSVQCNFAUFM-LADGPHEKSA-N 2 0 498.716 3.532 20 0 JHADRP CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313953061 1071647747 /nfs/dbraw/zinc/64/77/47/1071647747.db2.gz FWASJFGOABNSCL-ZEQRLZLVSA-N 2 0 467.706 3.590 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCC[N@H+](C)C2CCCCC2)CCOC1 ZINC001314125138 1072031559 /nfs/dbraw/zinc/03/15/59/1072031559.db2.gz OHDVIKGAZXKWPT-HHHXNRCGSA-N 2 0 490.737 3.895 20 0 JHADRP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314127102 1072037177 /nfs/dbraw/zinc/03/71/77/1072037177.db2.gz UZVPLJDIBWGDKD-CUNXSJBXSA-N 2 0 490.737 3.751 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)C[NH+](C)C ZINC001305986462 1068337554 /nfs/dbraw/zinc/33/75/54/1068337554.db2.gz OFLCNBUTRJMFFR-QFIPXVFZSA-N 2 0 498.716 3.697 20 0 JHADRP CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306091563 1068515044 /nfs/dbraw/zinc/51/50/44/1068515044.db2.gz ZDHUEFMMFXZPFT-PSWAGMNNSA-N 2 0 481.733 3.855 20 0 JHADRP CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001306319349 1068744717 /nfs/dbraw/zinc/74/47/17/1068744717.db2.gz KMUPEDULDNFCMU-JOCHJYFZSA-N 2 0 470.662 3.757 20 0 JHADRP CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1CCOC ZINC001306387365 1068822258 /nfs/dbraw/zinc/82/22/58/1068822258.db2.gz PPLWXZGIKFKLNF-XMMPIXPASA-N 2 0 454.663 3.593 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[NH+](CC(C)C)C2)CC[N@@H+]1CCOC ZINC001306406529 1068876982 /nfs/dbraw/zinc/87/69/82/1068876982.db2.gz YZEURNCDEOYRIT-XZOQPEGZSA-N 2 0 472.678 3.762 20 0 JHADRP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306424905 1068919076 /nfs/dbraw/zinc/91/90/76/1068919076.db2.gz HIMXUAHTVVJMNZ-JTHBVZDNSA-N 2 0 460.711 3.993 20 0 JHADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164616481 719011833 /nfs/dbraw/zinc/01/18/33/719011833.db2.gz KTFWPCMRZOUOIH-HYBUGGRVSA-N 2 0 495.014 3.806 20 0 JHADRP [NH3+]C1([C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@H]2CF)CC1 ZINC001164622518 719121459 /nfs/dbraw/zinc/12/14/59/719121459.db2.gz PELSCDHPWCSLBQ-QUCCMNQESA-N 2 0 485.003 3.910 20 0 JHADRP C[NH+]1CCC(Oc2ccnc(N(Cc3cccnc3)c3ccc4nc(C5CC[NH2+]CC5)nn4c3)c2)CC1 ZINC001164630038 719138616 /nfs/dbraw/zinc/13/86/16/719138616.db2.gz FPTHHFVEVVLKNJ-UHFFFAOYSA-N 2 0 498.635 3.798 20 0 JHADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)c2ccccc21 ZINC001164685514 719683119 /nfs/dbraw/zinc/68/31/19/719683119.db2.gz KWQCXXUWIABEGG-XMMPIXPASA-N 2 0 475.681 3.771 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164840994 720679216 /nfs/dbraw/zinc/67/92/16/720679216.db2.gz GTXZXBPHFTYZRU-OAQYLSRUSA-N 2 0 456.034 3.857 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@]4(CCC[C@@H]4COCc4ccncc4)C3)c2)CC1 ZINC001164781910 721386711 /nfs/dbraw/zinc/38/67/11/721386711.db2.gz KXDRKZHUHVCGFE-ATIYNZHBSA-N 2 0 452.599 3.542 20 0 JHADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891950 721419221 /nfs/dbraw/zinc/41/92/21/721419221.db2.gz WXKPOGKULFQKIM-UFHPHHKVSA-N 2 0 459.638 3.850 20 0 JHADRP Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)C3)n1 ZINC001164962761 722027435 /nfs/dbraw/zinc/02/74/35/722027435.db2.gz RXGRJKJOWIEQCF-VPUSJEBWSA-N 2 0 466.626 3.850 20 0 JHADRP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306632554 1069334160 /nfs/dbraw/zinc/33/41/60/1069334160.db2.gz ZWESHCSPNZYKNI-FCHUYYIVSA-N 2 0 462.727 3.924 20 0 JHADRP CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306635622 1069342791 /nfs/dbraw/zinc/34/27/91/1069342791.db2.gz RJHZLVMUCGNBSG-DNVJHFABSA-N 2 0 476.710 3.577 20 0 JHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422348 1069370052 /nfs/dbraw/zinc/37/00/52/1069370052.db2.gz HQHSMDABYGCPRS-MZKUHISZSA-N 2 0 455.691 3.661 20 0 JHADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1cccc(OC)c1 ZINC001311471067 1069394317 /nfs/dbraw/zinc/39/43/17/1069394317.db2.gz UWQLBMAFUDNTQK-ARMFNRFLSA-N 2 0 450.627 3.994 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001306678180 1069402667 /nfs/dbraw/zinc/40/26/67/1069402667.db2.gz JBUUNENVHHREEX-XMMPIXPASA-N 2 0 490.737 3.703 20 0 JHADRP COc1ccccc1[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001311574370 1069445709 /nfs/dbraw/zinc/44/57/09/1069445709.db2.gz RVGPBBNUDYUJMP-ZCYQVOJMSA-N 2 0 450.627 3.996 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001306722425 1069460381 /nfs/dbraw/zinc/46/03/81/1069460381.db2.gz LBGBZFBDJMYINL-VXNXHJTFSA-N 2 0 459.727 3.662 20 0 JHADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001306722387 1069460481 /nfs/dbraw/zinc/46/04/81/1069460481.db2.gz KETJUBVDNMYOEH-DEOSSOPVSA-N 2 0 487.737 3.773 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001306725881 1069466926 /nfs/dbraw/zinc/46/69/26/1069466926.db2.gz HQEKIHLROGWMKE-DENIHFKCSA-N 2 0 459.708 3.819 20 0 JHADRP COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC001311868650 1069587975 /nfs/dbraw/zinc/58/79/75/1069587975.db2.gz DCAPZYPUTHPAIY-IZZNHLLZSA-N 2 0 450.627 3.694 20 0 JHADRP CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](CC)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001314197166 1069778555 /nfs/dbraw/zinc/77/85/55/1069778555.db2.gz JZJGIJSXBURXBW-BHIFYINESA-N 2 0 470.662 3.832 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001307045730 1069783131 /nfs/dbraw/zinc/78/31/31/1069783131.db2.gz LUCVRHQCHHLAGL-JOCHJYFZSA-N 2 0 490.096 3.661 20 0 JHADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312219411 1069790321 /nfs/dbraw/zinc/79/03/21/1069790321.db2.gz VXDCADGSGGZSHE-RPBOFIJWSA-N 2 0 456.606 3.579 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccsc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001307053182 1069811392 /nfs/dbraw/zinc/81/13/92/1069811392.db2.gz MCBGVANMQSXXQL-QHCPKHFHSA-N 2 0 462.733 3.678 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001307053967 1069814955 /nfs/dbraw/zinc/81/49/55/1069814955.db2.gz JNTVOJVQRQPQJC-RBZQAINGSA-N 2 0 459.727 3.661 20 0 JHADRP Cc1ccc(-c2noc(CCC[NH+]3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)n2)cc1F ZINC001307491312 1070015323 /nfs/dbraw/zinc/01/53/23/1070015323.db2.gz UCAXXAYKUCOUIG-UHFFFAOYSA-N 2 0 459.610 3.533 20 0 JHADRP CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001307593426 1070071062 /nfs/dbraw/zinc/07/10/62/1070071062.db2.gz ZBXPTYSVLCNAGJ-RUZDIDTESA-N 2 0 459.034 3.961 20 0 JHADRP CCOCc1nnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314343918 1070147330 /nfs/dbraw/zinc/14/73/30/1070147330.db2.gz LVUYXLSWQMJHRG-HSZRJFAPSA-N 2 0 454.663 3.790 20 0 JHADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001307862324 1070215724 /nfs/dbraw/zinc/21/57/24/1070215724.db2.gz DUVYKRRTPFEHDJ-UEVCKROQSA-N 2 0 458.647 3.581 20 0 JHADRP CCOCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314377177 1070218118 /nfs/dbraw/zinc/21/81/18/1070218118.db2.gz BPXDECXRBSQPFO-HSZRJFAPSA-N 2 0 458.626 3.711 20 0 JHADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC001308332127 1070357698 /nfs/dbraw/zinc/35/76/98/1070357698.db2.gz ZXWGHKOIHFFRGP-GOTSBHOMSA-N 2 0 450.465 3.771 20 0 JHADRP CC(=O)NC1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001308814855 1070442026 /nfs/dbraw/zinc/44/20/26/1070442026.db2.gz IYRLAMCHQKNMET-UHFFFAOYSA-N 2 0 458.647 3.583 20 0 JHADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4cc(Br)ccc4C3)cc2)CC1 ZINC001308821430 1070443661 /nfs/dbraw/zinc/44/36/61/1070443661.db2.gz YSNGJGUJKMGMMY-QHCPKHFHSA-N 2 0 456.428 3.794 20 0 JHADRP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001308918080 1070459107 /nfs/dbraw/zinc/45/91/07/1070459107.db2.gz HWQKAVRWHUCRFQ-HXUWFJFHSA-N 2 0 453.574 3.638 20 0 JHADRP C[C@H]([NH2+]CCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001308931494 1070461430 /nfs/dbraw/zinc/46/14/30/1070461430.db2.gz KJLWGPCPKBBPIY-IBGZPJMESA-N 2 0 454.656 3.554 20 0 JHADRP C[C@@H](CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001309059607 1070514428 /nfs/dbraw/zinc/51/44/28/1070514428.db2.gz IDZRKFQDSCMSEM-YGKRLXNZSA-N 2 0 473.658 3.976 20 0 JHADRP Cc1ccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001309200717 1070601182 /nfs/dbraw/zinc/60/11/82/1070601182.db2.gz GWOJYSHHJFSDII-DMTNHVFBSA-N 2 0 455.668 3.566 20 0 JHADRP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)C1 ZINC001309255602 1070648240 /nfs/dbraw/zinc/64/82/40/1070648240.db2.gz XZPZHSDBHLLUKW-CCDWMCETSA-N 2 0 459.631 3.540 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC[NH+](C(C)C)CC2)c1 ZINC001313574610 1070688957 /nfs/dbraw/zinc/68/89/57/1070688957.db2.gz KDVNWWPACGXQOS-UHFFFAOYSA-N 2 0 461.658 3.684 20 0 JHADRP C[NH+](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314647998 1070751261 /nfs/dbraw/zinc/75/12/61/1070751261.db2.gz WQQCWPDEJVMMEE-HSZRJFAPSA-N 2 0 499.679 3.514 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314650517 1070758528 /nfs/dbraw/zinc/75/85/28/1070758528.db2.gz RPCOERRSJHIZSB-QHCPKHFHSA-N 2 0 480.636 3.735 20 0 JHADRP C[NH+](C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC001314649841 1070757350 /nfs/dbraw/zinc/75/73/50/1070757350.db2.gz DYHWZEQLFSMNRF-GOTSBHOMSA-N 2 0 460.711 3.993 20 0 JHADRP C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1)c1cccs1 ZINC001314650603 1070759506 /nfs/dbraw/zinc/75/95/06/1070759506.db2.gz JWCGJDDIHQXADI-OAQYLSRUSA-N 2 0 474.719 3.780 20 0 JHADRP C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1)c1cccc(F)c1 ZINC001314657078 1070776289 /nfs/dbraw/zinc/77/62/89/1070776289.db2.gz VPJREIPXVWYUDH-XMMPIXPASA-N 2 0 486.680 3.857 20 0 JHADRP C[NH+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001314667536 1070801771 /nfs/dbraw/zinc/80/17/71/1070801771.db2.gz OHCGMQGOEHHRQQ-UHFFFAOYSA-N 2 0 475.685 3.932 20 0 JHADRP C[NH+](C)CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314668208 1070803606 /nfs/dbraw/zinc/80/36/06/1070803606.db2.gz AQPIEIKJECYZMN-UHFFFAOYSA-N 2 0 456.679 3.776 20 0 JHADRP C[NH+](C)CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001314668264 1070804063 /nfs/dbraw/zinc/80/40/63/1070804063.db2.gz BZVJCQSMRNUAHX-UHFFFAOYSA-N 2 0 454.663 3.845 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC001313665184 1070879088 /nfs/dbraw/zinc/87/90/88/1070879088.db2.gz PVZXCZAYDDEXSS-BJKOFHAPSA-N 2 0 481.689 3.564 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC001313665187 1070879314 /nfs/dbraw/zinc/87/93/14/1070879314.db2.gz PVZXCZAYDDEXSS-ZEQRLZLVSA-N 2 0 481.689 3.564 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313668663 1070893055 /nfs/dbraw/zinc/89/30/55/1070893055.db2.gz RHBVWCRTBJOAEN-ZEQRLZLVSA-N 2 0 498.716 3.894 20 0 JHADRP CN(CC(C)(C)C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001314714974 1070904760 /nfs/dbraw/zinc/90/47/60/1070904760.db2.gz CJQCVWOSGPUNAH-UHFFFAOYSA-N 2 0 467.706 3.609 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001313706795 1070996786 /nfs/dbraw/zinc/99/67/86/1070996786.db2.gz FKRNMBAKDWTFSA-UFPGJGBJSA-N 2 0 455.695 3.962 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313710665 1071005123 /nfs/dbraw/zinc/00/51/23/1071005123.db2.gz BQLUZBBNNUAESC-GOTSBHOMSA-N 2 0 453.679 3.552 20 0 JHADRP CC[N@H+](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC001313802624 1071209038 /nfs/dbraw/zinc/20/90/38/1071209038.db2.gz GVRMVFHQLJUMTQ-UHFFFAOYSA-N 2 0 464.662 3.986 20 0 JHADRP CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001313820111 1071276342 /nfs/dbraw/zinc/27/63/42/1071276342.db2.gz UMJJTOHRCBTAGC-UHFFFAOYSA-N 2 0 473.754 3.736 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313858022 1071357885 /nfs/dbraw/zinc/35/78/85/1071357885.db2.gz FBPHXQCVBFBTSJ-VJBMBRPKSA-N 2 0 481.689 3.798 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313860820 1071372162 /nfs/dbraw/zinc/37/21/62/1071372162.db2.gz OPVFDGKMTLNWGE-SWYRRKHMSA-N 2 0 499.729 3.503 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001313864061 1071384758 /nfs/dbraw/zinc/38/47/58/1071384758.db2.gz FULNRCGOQFYXBP-WOJBJXKFSA-N 2 0 470.662 3.756 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001313867072 1071397852 /nfs/dbraw/zinc/39/78/52/1071397852.db2.gz JFWKFDPDHWOKJI-ZEQRLZLVSA-N 2 0 481.733 3.998 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313869254 1071408272 /nfs/dbraw/zinc/40/82/72/1071408272.db2.gz OZMIZEATOHFJLS-VHJOFQCFSA-N 2 0 460.711 3.849 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001313871104 1071415799 /nfs/dbraw/zinc/41/57/99/1071415799.db2.gz WWGLXJFHSRIYGL-SFTDATJTSA-N 2 0 451.663 3.788 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313871448 1071416841 /nfs/dbraw/zinc/41/68/41/1071416841.db2.gz ZIDXGSRFRRVIAE-YADHBBJMSA-N 2 0 470.731 3.810 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313873621 1071425458 /nfs/dbraw/zinc/42/54/58/1071425458.db2.gz MOFQCGGIJNJFSI-QHAWAJNXSA-N 2 0 458.626 3.504 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313874469 1071428741 /nfs/dbraw/zinc/42/87/41/1071428741.db2.gz IARCCWFNDZDACS-MCEYFSPLSA-N 2 0 486.730 3.830 20 0 JHADRP CC[NH+]1CCC(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001313878131 1071443921 /nfs/dbraw/zinc/44/39/21/1071443921.db2.gz VKUOTTFFIXXFOU-UHFFFAOYSA-N 2 0 481.689 3.800 20 0 JHADRP CC[NH+]1CCC(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001313881082 1071453949 /nfs/dbraw/zinc/45/39/49/1071453949.db2.gz PCEAAUJLRLEOFR-HXUWFJFHSA-N 2 0 470.662 3.615 20 0 JHADRP CC[NH+]1CCC(CCn2c(CCc3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001313881979 1071456465 /nfs/dbraw/zinc/45/64/65/1071456465.db2.gz DYTZILREWLRVPG-QFIPXVFZSA-N 2 0 468.690 3.724 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313886304 1071469800 /nfs/dbraw/zinc/46/98/00/1071469800.db2.gz RKIRXANBWLSVJD-DXBBTUNJSA-N 2 0 492.778 3.943 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001313886462 1071470871 /nfs/dbraw/zinc/47/08/71/1071470871.db2.gz CKBGLTXSOMNCOG-QHCPKHFHSA-N 2 0 460.711 3.537 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001313928339 1071583714 /nfs/dbraw/zinc/58/37/14/1071583714.db2.gz ATMREGRGCPORSY-NFBKMPQASA-N 2 0 454.663 3.952 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931378 1071591761 /nfs/dbraw/zinc/59/17/61/1071591761.db2.gz YOIAOCPGVCOCBW-RGSZASNESA-N 2 0 495.760 3.992 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313932748 1071596533 /nfs/dbraw/zinc/59/65/33/1071596533.db2.gz IFHNXJRILXKZOB-QFIPXVFZSA-N 2 0 481.689 3.942 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941960 1071618845 /nfs/dbraw/zinc/61/88/45/1071618845.db2.gz FRWJCEXUQUAEFV-HJOGWXRNSA-N 2 0 484.689 3.504 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313946696 1071629218 /nfs/dbraw/zinc/62/92/18/1071629218.db2.gz TZOZGOIPQPOCOB-DNVJHFABSA-N 2 0 468.690 3.776 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001313946809 1071629822 /nfs/dbraw/zinc/62/98/22/1071629822.db2.gz CDOZXEJCPAJYPE-XZOQPEGZSA-N 2 0 484.689 3.764 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001313949108 1071635232 /nfs/dbraw/zinc/63/52/32/1071635232.db2.gz HUPKBZITJPSSLP-VQTJNVASSA-N 2 0 492.087 3.542 20 0 JHADRP CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306132634 1068535130 /nfs/dbraw/zinc/53/51/30/1068535130.db2.gz FXGXSRYEDDFQEY-NRFANRHFSA-N 2 0 460.692 3.534 20 0 JHADRP CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001306322402 1068753165 /nfs/dbraw/zinc/75/31/65/1068753165.db2.gz JVWPXQVJTFZLIK-OAQYLSRUSA-N 2 0 454.667 3.558 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306410136 1068890160 /nfs/dbraw/zinc/89/01/60/1068890160.db2.gz CYHIWYCYGZHQCQ-BHIFYINESA-N 2 0 472.653 3.752 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306412922 1068898884 /nfs/dbraw/zinc/89/88/84/1068898884.db2.gz XQBNFIUNIBPULO-AOHZBQACSA-N 2 0 454.663 3.613 20 0 JHADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C[C@H]1C[NH+](C)C ZINC001310582529 1069029771 /nfs/dbraw/zinc/02/97/71/1069029771.db2.gz BCXXEGOFYOECMI-BFYDXBDKSA-N 2 0 454.459 3.690 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)nc1 ZINC001164815230 720244374 /nfs/dbraw/zinc/24/43/74/720244374.db2.gz BVQUWZFZQRCTSI-HSZRJFAPSA-N 2 0 452.647 3.826 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1 ZINC001164747599 720856619 /nfs/dbraw/zinc/85/66/19/720856619.db2.gz IEGIRMIFXQQJQI-QEGGNFSNSA-N 2 0 463.674 3.990 20 0 JHADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164747064 720936016 /nfs/dbraw/zinc/93/60/16/720936016.db2.gz BWCFITFRPWFGPG-GGXMVOPNSA-N 2 0 491.680 3.610 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@]4(CC(C(=O)Nc5cccc(Cl)c5)=NO4)C3)c2)CC1 ZINC001164798761 721605672 /nfs/dbraw/zinc/60/56/72/721605672.db2.gz IBEFKMRXZDDUIP-VWLOTQADSA-N 2 0 484.000 3.962 20 0 JHADRP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164924290 721875793 /nfs/dbraw/zinc/87/57/93/721875793.db2.gz KPCQZRDOIQVVAW-RPBOFIJWSA-N 2 0 496.099 3.971 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C[C@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164951263 721991401 /nfs/dbraw/zinc/99/14/01/721991401.db2.gz LQONGRYTWWFROG-PFATUAPWSA-N 2 0 476.687 3.618 20 0 JHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973131 722157692 /nfs/dbraw/zinc/15/76/92/722157692.db2.gz LHIPJFNMJZWIRM-REWPJTCUSA-N 2 0 489.998 3.779 20 0 JHADRP COc1ccc([C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[NH+](C)C)cc1OC ZINC001311350593 1069337260 /nfs/dbraw/zinc/33/72/60/1069337260.db2.gz VTOCYPYDICQDDR-XXBNENTESA-N 2 0 454.615 3.831 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357381 1069341504 /nfs/dbraw/zinc/34/15/04/1069341504.db2.gz HHBJBCYMGXGGTH-JYFHCDHNSA-N 2 0 455.691 3.620 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC001306646581 1069357426 /nfs/dbraw/zinc/35/74/26/1069357426.db2.gz LZTMOGAULACWOG-LEWJYISDSA-N 2 0 475.081 3.877 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306681034 1069408359 /nfs/dbraw/zinc/40/83/59/1069408359.db2.gz HBAYJBHRQLQWBC-XMMPIXPASA-N 2 0 488.124 3.935 20 0 JHADRP CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001306680896 1069409113 /nfs/dbraw/zinc/40/91/13/1069409113.db2.gz VVNFTSFOVPOEAA-UHFFFAOYSA-N 2 0 481.689 3.944 20 0 JHADRP CCCC[N@H+](C)CCn1c(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001306689032 1069425776 /nfs/dbraw/zinc/42/57/76/1069425776.db2.gz UDNSZACINVWATM-RBBKRZOGSA-N 2 0 458.699 3.560 20 0 JHADRP CCCC[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001306689385 1069426772 /nfs/dbraw/zinc/42/67/72/1069426772.db2.gz VTRCERMPSIHAHR-UHFFFAOYSA-N 2 0 453.679 3.697 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001306721352 1069457384 /nfs/dbraw/zinc/45/73/84/1069457384.db2.gz XKGZCFNYROFYFV-HSZRJFAPSA-N 2 0 473.710 3.526 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001306784907 1069586038 /nfs/dbraw/zinc/58/60/38/1069586038.db2.gz OZQXIQXEJZSQOA-CTNGQTDRSA-N 2 0 453.660 3.873 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(CC(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC001306787909 1069592895 /nfs/dbraw/zinc/59/28/95/1069592895.db2.gz JDUKXJGYPKDVPG-JOCHJYFZSA-N 2 0 453.679 3.997 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001306789352 1069594818 /nfs/dbraw/zinc/59/48/18/1069594818.db2.gz VZQURQJCXWXZOR-WFIHMLKPSA-N 2 0 467.706 3.943 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306803561 1069612253 /nfs/dbraw/zinc/61/22/53/1069612253.db2.gz YXWRWNUBNPNUIX-UHFFFAOYSA-N 2 0 464.662 3.988 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCOC)[C@@H](CC)C2)C1 ZINC001307035453 1069753626 /nfs/dbraw/zinc/75/36/26/1069753626.db2.gz UMTFGRTXJGXAOB-OFNKIYASSA-N 2 0 475.081 3.877 20 0 JHADRP C[C@@H]1CN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC001312160924 1069757692 /nfs/dbraw/zinc/75/76/92/1069757692.db2.gz NRKHRKACUDBEPG-HSZRJFAPSA-N 2 0 452.643 3.566 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307046881 1069786695 /nfs/dbraw/zinc/78/66/95/1069786695.db2.gz SHQSPVSJOKUCTC-OAQYLSRUSA-N 2 0 458.626 3.649 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001307046943 1069787619 /nfs/dbraw/zinc/78/76/19/1069787619.db2.gz UJNRYCAGVGWHJC-FCHUYYIVSA-N 2 0 454.663 3.682 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001307047848 1069791972 /nfs/dbraw/zinc/79/19/72/1069791972.db2.gz BVLIRCUCZGGZLA-GOTSBHOMSA-N 2 0 467.706 3.943 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307048113 1069792798 /nfs/dbraw/zinc/79/27/98/1069792798.db2.gz NHRQIHJJFLIIPU-PSWAGMNNSA-N 2 0 482.717 3.987 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001307048263 1069793346 /nfs/dbraw/zinc/79/33/46/1069793346.db2.gz BVACIZZZPQDNKI-HHHXNRCGSA-N 2 0 490.737 3.894 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001307052368 1069808656 /nfs/dbraw/zinc/80/86/56/1069808656.db2.gz YTKHIXTVFNUKIP-HSZRJFAPSA-N 2 0 454.667 3.556 20 0 JHADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001307058171 1069836181 /nfs/dbraw/zinc/83/61/81/1069836181.db2.gz YIGOFYLFJJSDOO-IRLDBZIGSA-N 2 0 470.662 3.757 20 0 JHADRP CCOc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001314225840 1069892771 /nfs/dbraw/zinc/89/27/71/1069892771.db2.gz BAUFJHPEXRVNEO-UHFFFAOYSA-N 2 0 484.689 3.908 20 0 JHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC001312499020 1069974694 /nfs/dbraw/zinc/97/46/94/1069974694.db2.gz FTDHVZLHKQYMKO-SANMLTNESA-N 2 0 450.627 3.503 20 0 JHADRP C[C@H]1C[N@H+](CCCNC(=O)N[C@]2(C)C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCO1 ZINC001312499575 1069975828 /nfs/dbraw/zinc/97/58/28/1069975828.db2.gz KJGCVYQGMGSPGK-PAUTXSKSSA-N 2 0 464.654 3.845 20 0 JHADRP CCOCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001314303531 1070089287 /nfs/dbraw/zinc/08/92/87/1070089287.db2.gz RYISJODFLKSGGE-UPVQGACJSA-N 2 0 454.663 3.790 20 0 JHADRP CCOCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314342526 1070144278 /nfs/dbraw/zinc/14/42/78/1070144278.db2.gz HIARCCKTIXENDL-JOCHJYFZSA-N 2 0 458.651 3.803 20 0 JHADRP CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001307886318 1070225725 /nfs/dbraw/zinc/22/57/25/1070225725.db2.gz QSTMDKFTJZRZNG-UPVQGACJSA-N 2 0 455.643 3.555 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001313446664 1070363180 /nfs/dbraw/zinc/36/31/80/1070363180.db2.gz DPYZUBMCCMGYTM-NJYVYQBISA-N 2 0 458.626 3.962 20 0 JHADRP CC(C)(C)OC(=O)NCC1CCC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC001308435419 1070375421 /nfs/dbraw/zinc/37/54/21/1070375421.db2.gz BYQFAKRTKYTIHR-UHFFFAOYSA-N 2 0 458.647 3.557 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313452431 1070382457 /nfs/dbraw/zinc/38/24/57/1070382457.db2.gz HNSNYGZCDKRNOG-NRFANRHFSA-N 2 0 472.703 3.984 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2CC2CC[NH+](C3CC3)CC2)C[C@H]1CC ZINC001314500522 1070431665 /nfs/dbraw/zinc/43/16/65/1070431665.db2.gz JIQCDCIAOXKBMA-JOCHJYFZSA-N 2 0 460.711 3.678 20 0 JHADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(Br)cc1OCCCO ZINC001308793476 1070438853 /nfs/dbraw/zinc/43/88/53/1070438853.db2.gz QFYBXXJZOWLDBS-QXAHSBQVSA-N 2 0 455.437 3.894 20 0 JHADRP C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001314663733 1070793065 /nfs/dbraw/zinc/79/30/65/1070793065.db2.gz YTHNPWMTQDFTCQ-LJQANCHMSA-N 2 0 479.044 3.626 20 0 JHADRP CN(c1nnc(C(C)(C)C)n1CCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314676246 1070820969 /nfs/dbraw/zinc/82/09/69/1070820969.db2.gz ASWBVSHWROXKHR-XMMPIXPASA-N 2 0 481.733 3.702 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001313655983 1070848296 /nfs/dbraw/zinc/84/82/96/1070848296.db2.gz CBFYJALTXOEVPX-QHCPKHFHSA-N 2 0 497.732 3.679 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001313657658 1070856591 /nfs/dbraw/zinc/85/65/91/1070856591.db2.gz NEYVEBPPHSDEHP-LEWJYISDSA-N 2 0 475.081 3.877 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313669836 1070895264 /nfs/dbraw/zinc/89/52/64/1070895264.db2.gz DQUMOUCDAFRJJQ-HKBOAZHASA-N 2 0 451.663 3.999 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccco1 ZINC001313672438 1070904108 /nfs/dbraw/zinc/90/41/08/1070904108.db2.gz OCKDRVQZRKRJHZ-QFIPXVFZSA-N 2 0 480.661 3.969 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313695023 1070958594 /nfs/dbraw/zinc/95/85/94/1070958594.db2.gz ZQRQSVLGHMXJED-ZRZAMGCNSA-N 2 0 467.706 3.943 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001313693539 1070954604 /nfs/dbraw/zinc/95/46/04/1070954604.db2.gz ATLMHFFGAIIZPK-QHCPKHFHSA-N 2 0 460.711 3.995 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001313694367 1070956509 /nfs/dbraw/zinc/95/65/09/1070956509.db2.gz IVTRVCSBAFXTOL-DEOSSOPVSA-N 2 0 468.690 3.921 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001313695267 1070959411 /nfs/dbraw/zinc/95/94/11/1070959411.db2.gz LDKIRWMQZNRZIO-JOCHJYFZSA-N 2 0 451.619 3.855 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001313695504 1070960054 /nfs/dbraw/zinc/96/00/54/1070960054.db2.gz PRNITSXPILSDIY-LADGPHEKSA-N 2 0 454.663 3.786 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001313697361 1070966382 /nfs/dbraw/zinc/96/63/82/1070966382.db2.gz NEUKMVBUUUQXDM-VWLOTQADSA-N 2 0 490.693 3.744 20 0 JHADRP CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001313705253 1070992459 /nfs/dbraw/zinc/99/24/59/1070992459.db2.gz PGONZHOVXIWRRI-XMMPIXPASA-N 2 0 454.663 3.593 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001313709435 1071002165 /nfs/dbraw/zinc/00/21/65/1071002165.db2.gz DRWWWGPRWAGDBK-WOLJRWFJSA-N 2 0 460.711 3.851 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313713760 1071010684 /nfs/dbraw/zinc/01/06/84/1071010684.db2.gz UFVUHGPKSGUXPR-UPVQGACJSA-N 2 0 453.679 3.552 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001313714398 1071012011 /nfs/dbraw/zinc/01/20/11/1071012011.db2.gz YEGRMJUGTPWRNZ-SSPYTLHUSA-N 2 0 472.653 3.782 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313725757 1071033547 /nfs/dbraw/zinc/03/35/47/1071033547.db2.gz QPNNZZGWEUNOGH-NFBKMPQASA-N 2 0 470.662 3.832 20 0 JHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001310239039 1071228645 /nfs/dbraw/zinc/22/86/45/1071228645.db2.gz JTNTVLTWFMOEBC-KRWDZBQOSA-N 2 0 454.497 3.635 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC001313808344 1071232566 /nfs/dbraw/zinc/23/25/66/1071232566.db2.gz FRFONGMWROKEGN-UHFFFAOYSA-N 2 0 475.081 3.877 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C)CCC(F)(F)F ZINC001313810754 1071242709 /nfs/dbraw/zinc/24/27/09/1071242709.db2.gz WQTYPIXGKNMOHG-SJLPKXTDSA-N 2 0 485.986 3.941 20 0 JHADRP CC[N@H+](CCn1c(C2CCCC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)CCC(F)(F)F ZINC001313812734 1071252341 /nfs/dbraw/zinc/25/23/41/1071252341.db2.gz AHPBMOITZZADMI-QFIPXVFZSA-N 2 0 499.670 3.815 20 0 JHADRP C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1)C1CCCCC1 ZINC001314863465 1071260321 /nfs/dbraw/zinc/26/03/21/1071260321.db2.gz DQFORJNINHXGSH-UHFFFAOYSA-N 2 0 460.711 3.680 20 0 JHADRP CC[N@H+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC001313818797 1071270145 /nfs/dbraw/zinc/27/01/45/1071270145.db2.gz ATUSAXMDDTVBAI-UHFFFAOYSA-N 2 0 456.679 3.723 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CC=CCC2)C[C@H]1C ZINC001313859713 1071364571 /nfs/dbraw/zinc/36/45/71/1071364571.db2.gz GXSMGEMJVKTIEM-QHAWAJNXSA-N 2 0 456.610 3.738 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313860923 1071371869 /nfs/dbraw/zinc/37/18/69/1071371869.db2.gz NFKVCRCDUFAQGQ-XGHQBKJUSA-N 2 0 475.479 3.967 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313863347 1071381394 /nfs/dbraw/zinc/38/13/94/1071381394.db2.gz DBRRFDVMGDWNMP-QTEQDKRBSA-N 2 0 475.081 3.874 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001313864055 1071385073 /nfs/dbraw/zinc/38/50/73/1071385073.db2.gz FULNRCGOQFYXBP-PMACEKPBSA-N 2 0 470.662 3.756 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001313871103 1071415884 /nfs/dbraw/zinc/41/58/84/1071415884.db2.gz WWGLXJFHSRIYGL-RTWAWAEBSA-N 2 0 451.663 3.788 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313871446 1071416776 /nfs/dbraw/zinc/41/67/76/1071416776.db2.gz ZIDXGSRFRRVIAE-VXKWHMMOSA-N 2 0 470.731 3.810 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H]1C ZINC001313872202 1071419915 /nfs/dbraw/zinc/41/99/15/1071419915.db2.gz VIMFOUDEZFPDJW-XZOQPEGZSA-N 2 0 460.711 3.678 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313895398 1071497114 /nfs/dbraw/zinc/49/71/14/1071497114.db2.gz HWJYSWKBKQLWLQ-SFHVURJKSA-N 2 0 479.442 3.861 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931385 1071591609 /nfs/dbraw/zinc/59/16/09/1071591609.db2.gz YOIAOCPGVCOCBW-ZWEKWIFMSA-N 2 0 495.760 3.992 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001313932598 1071595841 /nfs/dbraw/zinc/59/58/41/1071595841.db2.gz IMTDDOGDFPRTLC-GCJKJVERSA-N 2 0 454.644 3.849 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313934750 1071603554 /nfs/dbraw/zinc/60/35/54/1071603554.db2.gz VLJAVSDSRWPIBO-OAQYLSRUSA-N 2 0 468.690 3.884 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C[C@H]1C ZINC001313934720 1071603087 /nfs/dbraw/zinc/60/30/87/1071603087.db2.gz VCVCCTUTSYJMJP-GCJKJVERSA-N 2 0 452.603 3.688 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001313949758 1071636875 /nfs/dbraw/zinc/63/68/75/1071636875.db2.gz RHVJKIMNIJFBSL-QGZVFWFLSA-N 2 0 467.445 3.790 20 0 JHADRP CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001313957293 1071660173 /nfs/dbraw/zinc/66/01/73/1071660173.db2.gz RPUPPAPWPJLQFF-RUZDIDTESA-N 2 0 481.733 3.605 20 0 JHADRP CCO[C@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCC2CC[NH+](CC)CC2)CCOC1 ZINC001314134476 1072046598 /nfs/dbraw/zinc/04/65/98/1072046598.db2.gz IACWRUZSLKKFNI-HHHXNRCGSA-N 2 0 490.737 3.610 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC[NH+]1CCCCC1 ZINC001305985398 1068334643 /nfs/dbraw/zinc/33/46/43/1068334643.db2.gz JCTPVWFRRLDIFF-UHFFFAOYSA-N 2 0 454.663 3.683 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001305985983 1068336572 /nfs/dbraw/zinc/33/65/72/1068336572.db2.gz CTMSMGTTYLHRRR-QHCPKHFHSA-N 2 0 498.716 3.841 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305986221 1068337365 /nfs/dbraw/zinc/33/73/65/1068337365.db2.gz SDTZOSXHAZTBKC-UHFFFAOYSA-N 2 0 498.716 3.575 20 0 JHADRP CCc1nnc(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306136158 1068538794 /nfs/dbraw/zinc/53/87/94/1068538794.db2.gz JJPSJMLAVILSKT-MESAYYPLSA-N 2 0 460.711 3.534 20 0 JHADRP Cc1nc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)sc1Cc1ccc(F)c(F)c1F ZINC001310739163 1069143732 /nfs/dbraw/zinc/14/37/32/1069143732.db2.gz BKLYJBGUPOBMEV-HZPDHXFCSA-N 2 0 469.577 3.663 20 0 JHADRP Clc1ncc2c(c1N1CCO[C@H]3C[NH2+]CC[C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164406976 718863449 /nfs/dbraw/zinc/86/34/49/718863449.db2.gz IDDLNDJOVFADDX-OFNKIYASSA-N 2 0 469.029 3.571 20 0 JHADRP [NH3+]C1([C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@@H]2CF)CC1 ZINC001164622516 719121090 /nfs/dbraw/zinc/12/10/90/719121090.db2.gz PELSCDHPWCSLBQ-ICSRJNTNSA-N 2 0 485.003 3.910 20 0 JHADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)c2ccccc21 ZINC001164681598 719677441 /nfs/dbraw/zinc/67/74/41/719677441.db2.gz NFENWIXIVOHVGV-XMMPIXPASA-N 2 0 475.681 3.771 20 0 JHADRP Fc1cccnc1N(c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164692078 719760909 /nfs/dbraw/zinc/76/09/09/719760909.db2.gz RLASTIORAWEUCC-CUNXSJBXSA-N 2 0 459.569 3.833 20 0 JHADRP COc1cccc(NC(=O)c2nc3c(s2)CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)c1 ZINC001164711350 720089065 /nfs/dbraw/zinc/08/90/65/720089065.db2.gz LQYFRXOOPIEUCI-UHFFFAOYSA-N 2 0 493.633 3.877 20 0 JHADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164813912 720205455 /nfs/dbraw/zinc/20/54/55/720205455.db2.gz QUAVIRJVCZPHIS-OFNKIYASSA-N 2 0 467.004 3.841 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164819668 720308356 /nfs/dbraw/zinc/30/83/56/720308356.db2.gz FRXBBTNJQDLKDC-KAYWLYCHSA-N 2 0 473.665 3.551 20 0 JHADRP c1nc2n(c1-c1cccnc1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C21CC[NH2+]CC1 ZINC001164843900 720741836 /nfs/dbraw/zinc/74/18/36/720741836.db2.gz MNBHUXVSNRBTGO-UHFFFAOYSA-N 2 0 491.643 3.997 20 0 JHADRP Clc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c(n1)C[NH2+]CC2 ZINC001164754997 720906366 /nfs/dbraw/zinc/90/63/66/720906366.db2.gz XSXLKROCEWDVAR-HFZDXXHNSA-N 2 0 468.045 3.531 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164897460 721446352 /nfs/dbraw/zinc/44/63/52/721446352.db2.gz UDQGJRVQQCBJSE-RGSZASNESA-N 2 0 455.691 3.784 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC001306622037 1069311427 /nfs/dbraw/zinc/31/14/27/1069311427.db2.gz VCHXRDOOZHYWNN-QHCPKHFHSA-N 2 0 469.678 3.542 20 0 JHADRP COc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC001311343282 1069330592 /nfs/dbraw/zinc/33/05/92/1069330592.db2.gz CRXFFLZPYSYRBI-CVJWPJSTSA-N 2 0 450.627 3.899 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC001306646583 1069357286 /nfs/dbraw/zinc/35/72/86/1069357286.db2.gz LZTMOGAULACWOG-NHCUHLMSSA-N 2 0 475.081 3.877 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC001306646588 1069357647 /nfs/dbraw/zinc/35/76/47/1069357647.db2.gz LZTMOGAULACWOG-SFTDATJTSA-N 2 0 475.081 3.877 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001306677736 1069401821 /nfs/dbraw/zinc/40/18/21/1069401821.db2.gz BQIMIWAVOQZQJA-QFIPXVFZSA-N 2 0 455.695 3.964 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306681599 1069411109 /nfs/dbraw/zinc/41/11/09/1069411109.db2.gz PBYYJELLAXDBEH-UHFFFAOYSA-N 2 0 466.472 3.734 20 0 JHADRP CCCC[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001306681772 1069411342 /nfs/dbraw/zinc/41/13/42/1069411342.db2.gz UATPGGKBIQTBHO-RZUBCFFCSA-N 2 0 458.626 3.962 20 0 JHADRP CCCC[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001306686494 1069423347 /nfs/dbraw/zinc/42/33/47/1069423347.db2.gz DCNPSJSFSWKYDV-GOTSBHOMSA-N 2 0 454.663 3.879 20 0 JHADRP COc1ccccc1[C@@H](CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)[NH+]1CCCCC1 ZINC001311622846 1069473302 /nfs/dbraw/zinc/47/33/02/1069473302.db2.gz OOXLMTWAWAIRFE-FYYLOGMGSA-N 2 0 458.647 3.507 20 0 JHADRP CN(CCOc1ccccc1C(C)(C)C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001311755482 1069533973 /nfs/dbraw/zinc/53/39/73/1069533973.db2.gz WBIPGCDDGBDWFT-UHFFFAOYSA-N 2 0 453.631 3.612 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C1 ZINC001306781173 1069578908 /nfs/dbraw/zinc/57/89/08/1069578908.db2.gz HNKXDPZQYKHSIH-FKBYEOEOSA-N 2 0 491.725 3.511 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC001306787911 1069593106 /nfs/dbraw/zinc/59/31/06/1069593106.db2.gz JDUKXJGYPKDVPG-QFIPXVFZSA-N 2 0 453.679 3.997 20 0 JHADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC001311933456 1069620029 /nfs/dbraw/zinc/62/00/29/1069620029.db2.gz QMQMXIIZVVQMHQ-OAQYLSRUSA-N 2 0 457.663 3.720 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001306808453 1069625068 /nfs/dbraw/zinc/62/50/68/1069625068.db2.gz MDWIKRFYRBTZRM-MBDNFAEBSA-N 2 0 491.725 3.700 20 0 JHADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)CC1 ZINC001311973285 1069644332 /nfs/dbraw/zinc/64/43/32/1069644332.db2.gz AMEMDSXVRUFYBN-IZZNHLLZSA-N 2 0 450.627 3.837 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC([NH+](CC)CC)CC2)C1 ZINC001307032029 1069742916 /nfs/dbraw/zinc/74/29/16/1069742916.db2.gz QFNPZMUFWLMGEF-NRFANRHFSA-N 2 0 454.663 3.996 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001307039250 1069763380 /nfs/dbraw/zinc/76/33/80/1069763380.db2.gz TUNMPJRTAGUHBF-FQEVSTJZSA-N 2 0 460.617 3.657 20 0 JHADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001312165010 1069759738 /nfs/dbraw/zinc/75/97/38/1069759738.db2.gz OCFRGVPBRSXSBS-DRZCSJLFSA-N 2 0 464.654 3.876 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307046880 1069786887 /nfs/dbraw/zinc/78/68/87/1069786887.db2.gz SHQSPVSJOKUCTC-NRFANRHFSA-N 2 0 458.626 3.649 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001307046946 1069787398 /nfs/dbraw/zinc/78/73/98/1069787398.db2.gz UJNRYCAGVGWHJC-YADHBBJMSA-N 2 0 454.663 3.682 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001307051915 1069805863 /nfs/dbraw/zinc/80/58/63/1069805863.db2.gz NXMDWOHNYCGLKW-SFTDATJTSA-N 2 0 468.694 3.802 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001307052869 1069809101 /nfs/dbraw/zinc/80/91/01/1069809101.db2.gz HSQUJOBTAPXPPX-HSZRJFAPSA-N 2 0 470.710 3.571 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001307056225 1069826030 /nfs/dbraw/zinc/82/60/30/1069826030.db2.gz QDIKKAXKLYGDSQ-ZCYQVOJMSA-N 2 0 468.690 3.958 20 0 JHADRP CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001314225915 1069893140 /nfs/dbraw/zinc/89/31/40/1069893140.db2.gz QGGJEUUTTIJUBN-NRFANRHFSA-N 2 0 470.662 3.661 20 0 JHADRP CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001307526064 1070034609 /nfs/dbraw/zinc/03/46/09/1070034609.db2.gz PZUZLGOZROTVJJ-RUZDIDTESA-N 2 0 452.668 3.770 20 0 JHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccccc2OC)CC1 ZINC001307642122 1070097923 /nfs/dbraw/zinc/09/79/23/1070097923.db2.gz KPKOSDLUJWBVJN-PMACEKPBSA-N 2 0 456.606 3.846 20 0 JHADRP CSC1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC[NH+](C)CC1 ZINC001312799866 1070130049 /nfs/dbraw/zinc/13/00/49/1070130049.db2.gz LBGUCWFAKZHGJZ-BJKOFHAPSA-N 2 0 452.668 3.781 20 0 JHADRP CCOCc1nnc(N2CCC(CC(F)(F)F)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001314341662 1070141840 /nfs/dbraw/zinc/14/18/40/1070141840.db2.gz TVXZXDGPFMLLAE-UHFFFAOYSA-N 2 0 495.594 3.591 20 0 JHADRP COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001307724370 1070148646 /nfs/dbraw/zinc/14/86/46/1070148646.db2.gz HXXIDAPOUUZNLL-KRWDZBQOSA-N 2 0 457.537 3.865 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314400140 1070260843 /nfs/dbraw/zinc/26/08/43/1070260843.db2.gz QCQMZBRNUOAVFQ-HSZRJFAPSA-N 2 0 454.663 3.566 20 0 JHADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@H]2CCCCC[NH+](Cc3ccccc3)C2)CC1 ZINC001313137682 1070266069 /nfs/dbraw/zinc/26/60/69/1070266069.db2.gz FDUMHYIKOADIOQ-GSLIJJQTSA-N 2 0 455.691 3.631 20 0 JHADRP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC001313340165 1070331743 /nfs/dbraw/zinc/33/17/43/1070331743.db2.gz BJIIOSKEGIACEH-FTJBHMTQSA-N 2 0 456.675 3.614 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@H]1CC ZINC001314500029 1070428841 /nfs/dbraw/zinc/42/88/41/1070428841.db2.gz RROVITPYTASUEX-FYYLOGMGSA-N 2 0 460.711 3.993 20 0 JHADRP CCCOc1ccc(-c2nnc(N3C[C@@H](C)[NH+](CC)C[C@H]3C)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313501259 1070524625 /nfs/dbraw/zinc/52/46/25/1070524625.db2.gz CUTDJHUNNBIAPW-FGZHOGPDSA-N 2 0 482.673 3.923 20 0 JHADRP Cn1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)cn1 ZINC001314657690 1070777186 /nfs/dbraw/zinc/77/71/86/1070777186.db2.gz ZVKMKQYATKEUPB-UHFFFAOYSA-N 2 0 456.683 3.501 20 0 JHADRP C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001314665475 1070797241 /nfs/dbraw/zinc/79/72/41/1070797241.db2.gz HQRCZUZCUGPDFW-UHFFFAOYSA-N 2 0 489.108 3.659 20 0 JHADRP C[NH+](C)CC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001314665985 1070798289 /nfs/dbraw/zinc/79/82/89/1070798289.db2.gz OCLGNMIHADVADC-XMMPIXPASA-N 2 0 467.706 3.944 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001313652278 1070829993 /nfs/dbraw/zinc/82/99/93/1070829993.db2.gz RXXVZBKJZVTYSV-JOCHJYFZSA-N 2 0 481.689 3.942 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001313656566 1070851286 /nfs/dbraw/zinc/85/12/86/1070851286.db2.gz JWPKETBRACKYCA-LEWJYISDSA-N 2 0 488.652 3.589 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001313657689 1070855889 /nfs/dbraw/zinc/85/58/89/1070855889.db2.gz NPNAFOOYCCAIDD-BHIFYINESA-N 2 0 471.694 3.572 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001313661263 1070867359 /nfs/dbraw/zinc/86/73/59/1070867359.db2.gz WGMPJRGUDZZVKF-QHCPKHFHSA-N 2 0 497.732 3.679 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC001313665185 1070879533 /nfs/dbraw/zinc/87/95/33/1070879533.db2.gz PVZXCZAYDDEXSS-DNQXCXABSA-N 2 0 481.689 3.564 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313666715 1070885467 /nfs/dbraw/zinc/88/54/67/1070885467.db2.gz JGKFVMFZFCNUHA-QFIPXVFZSA-N 2 0 456.679 3.941 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001313667170 1070888377 /nfs/dbraw/zinc/88/83/77/1070888377.db2.gz JSPHCUVFYSTDNL-ZRBLBEILSA-N 2 0 461.743 3.592 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001313671044 1070899112 /nfs/dbraw/zinc/89/91/12/1070899112.db2.gz NLZWTQYSAKGDRT-PKTZIBPZSA-N 2 0 461.658 3.705 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313669999 1070896407 /nfs/dbraw/zinc/89/64/07/1070896407.db2.gz XPYQBIDISYJPCW-GJZUVCINSA-N 2 0 476.710 3.504 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001313671834 1070901413 /nfs/dbraw/zinc/90/14/13/1070901413.db2.gz SXFUZDXJHRUFMZ-ZCYQVOJMSA-N 2 0 467.706 3.943 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001313694242 1070956540 /nfs/dbraw/zinc/95/65/40/1070956540.db2.gz SMNSOZBJXGXDAU-OAQYLSRUSA-N 2 0 471.675 3.840 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001313696890 1070964362 /nfs/dbraw/zinc/96/43/62/1070964362.db2.gz YOZVGHAXVMDTGO-LJQANCHMSA-N 2 0 456.635 3.715 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001313695509 1070959996 /nfs/dbraw/zinc/95/99/96/1070959996.db2.gz PRNITSXPILSDIY-VWNXMTODSA-N 2 0 454.663 3.786 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001313697007 1070963958 /nfs/dbraw/zinc/96/39/58/1070963958.db2.gz IZALTGLKHQWJQN-NRFANRHFSA-N 2 0 454.663 3.996 20 0 JHADRP CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001313699365 1070974035 /nfs/dbraw/zinc/97/40/35/1070974035.db2.gz BSDLWFGXSJXPQY-JOCHJYFZSA-N 2 0 495.716 3.617 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001313703503 1070986670 /nfs/dbraw/zinc/98/66/70/1070986670.db2.gz XREWONFLYWABGI-QZTJIDSGSA-N 2 0 493.494 3.834 20 0 JHADRP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313703827 1070988626 /nfs/dbraw/zinc/98/86/26/1070988626.db2.gz GSDXLVHHKNZMHF-PQNGQFLHSA-N 2 0 454.663 3.591 20 0 JHADRP CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](C(C)C)CC2)cc1 ZINC001313705250 1070992418 /nfs/dbraw/zinc/99/24/18/1070992418.db2.gz PGONZHOVXIWRRI-DEOSSOPVSA-N 2 0 454.663 3.593 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313710666 1071005159 /nfs/dbraw/zinc/00/51/59/1071005159.db2.gz BQLUZBBNNUAESC-PKTZIBPZSA-N 2 0 453.679 3.552 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313725098 1071032050 /nfs/dbraw/zinc/03/20/50/1071032050.db2.gz ZFFVOURDBBYLHF-PKTZIBPZSA-N 2 0 468.690 3.597 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313727610 1071037178 /nfs/dbraw/zinc/03/71/78/1071037178.db2.gz VQZSTAKMTFKOSP-QLBJFCOMSA-N 2 0 484.737 3.961 20 0 JHADRP CC[N@H+](CCn1c(C2CCCC2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)CCC(F)(F)F ZINC001313812733 1071252089 /nfs/dbraw/zinc/25/20/89/1071252089.db2.gz AHPBMOITZZADMI-JOCHJYFZSA-N 2 0 499.670 3.815 20 0 JHADRP C[N@H+](CCn1c(-c2ccccn2)nnc1N1CCC[NH+](C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001314862537 1071256682 /nfs/dbraw/zinc/25/66/82/1071256682.db2.gz HFLFWIHMQAOQPH-UHFFFAOYSA-N 2 0 465.621 3.922 20 0 JHADRP CC[N@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC001313815417 1071261092 /nfs/dbraw/zinc/26/10/92/1071261092.db2.gz WJIDEUVUDRPHRW-DEOSSOPVSA-N 2 0 454.663 3.615 20 0 JHADRP CC[N@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818577 1071268787 /nfs/dbraw/zinc/26/87/87/1071268787.db2.gz LTTOGBKZPILWBY-FQEVSTJZSA-N 2 0 490.643 3.567 20 0 JHADRP CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001313818949 1071270556 /nfs/dbraw/zinc/27/05/56/1071270556.db2.gz UXCDCDIEVIXRIZ-UHFFFAOYSA-N 2 0 495.760 3.902 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C)CCOC)C[C@H]1C ZINC001313858237 1071358853 /nfs/dbraw/zinc/35/88/53/1071358853.db2.gz ABCGMIDNUJDIMM-UXHICEINSA-N 2 0 454.619 3.579 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313858873 1071361394 /nfs/dbraw/zinc/36/13/94/1071361394.db2.gz CWIXMIOXSHMZSL-VAMGGRTRSA-N 2 0 458.651 3.612 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313858871 1071361666 /nfs/dbraw/zinc/36/16/66/1071361666.db2.gz CWIXMIOXSHMZSL-AQNXPRMDSA-N 2 0 458.651 3.612 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313860413 1071369386 /nfs/dbraw/zinc/36/93/86/1071369386.db2.gz KLOQBJMFFYMBKL-NJDAHSKKSA-N 2 0 464.662 3.984 20 0 JHADRP CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1Cl ZINC001310447583 1071396327 /nfs/dbraw/zinc/39/63/27/1071396327.db2.gz UYMJVTPANMBRFY-KRWDZBQOSA-N 2 0 452.043 3.654 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001313871921 1071419104 /nfs/dbraw/zinc/41/91/04/1071419104.db2.gz VPAYEOCBYUVXJM-WOJBJXKFSA-N 2 0 470.662 3.756 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001313890664 1071483090 /nfs/dbraw/zinc/48/30/90/1071483090.db2.gz OIGVCLXBZMYARI-HXUWFJFHSA-N 2 0 470.662 3.615 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001313892212 1071486837 /nfs/dbraw/zinc/48/68/37/1071486837.db2.gz CFQJTNLNAYIDHF-QHCPKHFHSA-N 2 0 454.663 3.995 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001313906627 1071525020 /nfs/dbraw/zinc/52/50/20/1071525020.db2.gz YCBPETPDTIROQV-BHDDXSALSA-N 2 0 488.652 3.589 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@H]1C ZINC001313935574 1071606054 /nfs/dbraw/zinc/60/60/54/1071606054.db2.gz IGBXYYCGUQZRPO-HXUWFJFHSA-N 2 0 470.662 3.615 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC001313937926 1071611393 /nfs/dbraw/zinc/61/13/93/1071611393.db2.gz XNTDHLWMOWUGTG-IBGZPJMESA-N 2 0 484.048 3.513 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313940466 1071615058 /nfs/dbraw/zinc/61/50/58/1071615058.db2.gz MCAYEBYWJSHVIZ-QFBILLFUSA-N 2 0 459.689 3.529 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001313942774 1071621413 /nfs/dbraw/zinc/62/14/13/1071621413.db2.gz NOPWSVQCNFAUFM-UPVQGACJSA-N 2 0 498.716 3.532 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC001313946397 1071628418 /nfs/dbraw/zinc/62/84/18/1071628418.db2.gz RKGYRVBLFKSWGF-RCZVLFRGSA-N 2 0 461.658 3.877 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313947171 1071631095 /nfs/dbraw/zinc/63/10/95/1071631095.db2.gz FZQUPBOZMVEJAA-NJDAHSKKSA-N 2 0 478.751 3.555 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313947194 1071631151 /nfs/dbraw/zinc/63/11/51/1071631151.db2.gz GJJQTWFSWNRZGM-PMACEKPBSA-N 2 0 484.670 3.761 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001313949106 1071635211 /nfs/dbraw/zinc/63/52/11/1071635211.db2.gz HUPKBZITJPSSLP-PMACEKPBSA-N 2 0 492.087 3.542 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951092 1071640662 /nfs/dbraw/zinc/64/06/62/1071640662.db2.gz FJCJXNKNSKDOMR-AOYPEHQESA-N 2 0 495.760 3.808 20 0 JHADRP CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313953060 1071647568 /nfs/dbraw/zinc/64/75/68/1071647568.db2.gz FWASJFGOABNSCL-RPWUZVMVSA-N 2 0 467.706 3.590 20 0 JHADRP CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001313957294 1071660024 /nfs/dbraw/zinc/66/00/24/1071660024.db2.gz RPUPPAPWPJLQFF-VWLOTQADSA-N 2 0 481.733 3.605 20 0 JHADRP CCc1nc(CN(C)c2nnc(C(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC001306026840 1068422341 /nfs/dbraw/zinc/42/23/41/1068422341.db2.gz YPYCEJKCGCNAFC-UHFFFAOYSA-N 2 0 468.675 3.664 20 0 JHADRP CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306091628 1068515222 /nfs/dbraw/zinc/51/52/22/1068515222.db2.gz ZZXQSIBWKMIAKF-KCWPFWIISA-N 2 0 467.706 3.609 20 0 JHADRP CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001306091633 1068515642 /nfs/dbraw/zinc/51/56/42/1068515642.db2.gz ZZXQSIBWKMIAKF-YIXXDRMTSA-N 2 0 467.706 3.609 20 0 JHADRP CCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001306208100 1068599186 /nfs/dbraw/zinc/59/91/86/1068599186.db2.gz VEHGTXFNKMXZCY-DEOSSOPVSA-N 2 0 452.691 3.963 20 0 JHADRP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001306391022 1068830484 /nfs/dbraw/zinc/83/04/84/1068830484.db2.gz VMNVFBAFCPSVJK-ILBGXUMGSA-N 2 0 498.716 3.968 20 0 JHADRP CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[NH+]2CCc3sccc3C2)CC[N@@H+]1CCOC ZINC001306620367 1069306805 /nfs/dbraw/zinc/30/68/05/1069306805.db2.gz YKWITXIBOPPLPV-OAQYLSRUSA-N 2 0 474.719 3.633 20 0 JHADRP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680163 719638533 /nfs/dbraw/zinc/63/85/33/719638533.db2.gz QULIGOWMRFIVHF-UHFFFAOYSA-N 2 0 455.676 3.822 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164838332 720724934 /nfs/dbraw/zinc/72/49/34/720724934.db2.gz IBPRCXJBBPKCRZ-HSZRJFAPSA-N 3 0 450.627 3.815 20 0 JHADRP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(-n2nc(C(=O)N3CCC[C@H]3C)c3c2CC[NH2+]C3)n1 ZINC001164853060 720806333 /nfs/dbraw/zinc/80/63/33/720806333.db2.gz PEULLNYPUVGPAW-OAHLLOKOSA-N 2 0 481.670 3.606 20 0 JHADRP Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(N2CCCC2)[nH+]1 ZINC001164747236 720874323 /nfs/dbraw/zinc/87/43/23/720874323.db2.gz AUJVEJLJZXRVES-RPLLCQBOSA-N 2 0 462.642 3.535 20 0 JHADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755861 720881358 /nfs/dbraw/zinc/88/13/58/720881358.db2.gz ZDJNNFKSVXUJFX-WNCULLNHSA-N 2 0 497.087 3.747 20 0 JHADRP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)c1 ZINC001164751723 720901103 /nfs/dbraw/zinc/90/11/03/720901103.db2.gz DDERNGUTZUXULT-GGXMVOPNSA-N 2 0 491.680 3.706 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](c4ccccc4)[C@]4(CCN(c5cccnc5)C4=O)C3)c2)CC1 ZINC001164909792 721742317 /nfs/dbraw/zinc/74/23/17/721742317.db2.gz DQKANUPTVDBVBQ-UHSQPCAPSA-N 2 0 483.616 3.977 20 0 JHADRP Cc1ccc(N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960564 722025369 /nfs/dbraw/zinc/02/53/69/722025369.db2.gz KOBDRCGBPTZFNZ-UFHPHHKVSA-N 2 0 470.621 3.788 20 0 JHADRP CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC001306633422 1069336653 /nfs/dbraw/zinc/33/66/53/1069336653.db2.gz BMWAYSZNOHNAEL-CJRSTVEYSA-N 2 0 490.737 3.618 20 0 JHADRP CC[C@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311395271 1069359681 /nfs/dbraw/zinc/35/96/81/1069359681.db2.gz DLYIENJCECTEKR-ATKRNPRHSA-N 2 0 452.565 3.928 20 0 JHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC001311497912 1069406872 /nfs/dbraw/zinc/40/68/72/1069406872.db2.gz SGCQHZLBVWKYPC-LVXARBLLSA-N 2 0 450.627 3.627 20 0 JHADRP COc1ccccc1[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001311574367 1069445075 /nfs/dbraw/zinc/44/50/75/1069445075.db2.gz RVGPBBNUDYUJMP-ILBGXUMGSA-N 2 0 450.627 3.996 20 0 JHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718948 1069517867 /nfs/dbraw/zinc/51/78/67/1069517867.db2.gz MMNCMJSOLGMSIR-NHCUHLMSSA-N 2 0 458.569 3.841 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001306779692 1069576126 /nfs/dbraw/zinc/57/61/26/1069576126.db2.gz IMAKEMZMMPIDIF-VWLOTQADSA-N 2 0 481.733 3.562 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306786685 1069589845 /nfs/dbraw/zinc/58/98/45/1069589845.db2.gz YOFDMVWZAHFZBL-YKSBVNFPSA-N 2 0 465.621 3.950 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306786684 1069590001 /nfs/dbraw/zinc/59/00/01/1069590001.db2.gz YOFDMVWZAHFZBL-RDPSFJRHSA-N 2 0 465.621 3.950 20 0 JHADRP CCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2C[C@H]2CC[N@H+](CC)C2)cc1OC ZINC001314169068 1069675547 /nfs/dbraw/zinc/67/55/47/1069675547.db2.gz TWJPGTSAJBQZOW-HBMCJLEFSA-N 2 0 470.662 3.613 20 0 JHADRP CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC001307037423 1069758451 /nfs/dbraw/zinc/75/84/51/1069758451.db2.gz UMEMDCAVIDBDKU-UHFFFAOYSA-N 2 0 460.711 3.852 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001307044571 1069777947 /nfs/dbraw/zinc/77/79/47/1069777947.db2.gz RCVFUGTYJGULGI-TZRRMPRUSA-N 2 0 473.754 3.593 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001307048958 1069795202 /nfs/dbraw/zinc/79/52/02/1069795202.db2.gz DMSIKPMNHQVPLX-DEOSSOPVSA-N 2 0 468.690 3.921 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001307049452 1069797492 /nfs/dbraw/zinc/79/74/92/1069797492.db2.gz KZZBAKMHKXIPTD-UHFFFAOYSA-N 2 0 454.663 3.996 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001307051914 1069805901 /nfs/dbraw/zinc/80/59/01/1069805901.db2.gz NXMDWOHNYCGLKW-OYRHEFFESA-N 2 0 468.694 3.802 20 0 JHADRP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC001312290235 1069841421 /nfs/dbraw/zinc/84/14/21/1069841421.db2.gz ZMTPIAIIERXNBM-PCCBWWKXSA-N 2 0 457.446 3.663 20 0 JHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001307594556 1070071177 /nfs/dbraw/zinc/07/11/77/1070071177.db2.gz WHOUNLXRHUBRDW-VANUSSGQSA-N 2 0 453.602 3.883 20 0 JHADRP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001307593427 1070071009 /nfs/dbraw/zinc/07/10/09/1070071009.db2.gz ZBXPTYSVLCNAGJ-VWLOTQADSA-N 2 0 459.034 3.961 20 0 JHADRP O=C1[C@@H]([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC001307603002 1070077437 /nfs/dbraw/zinc/07/74/37/1070077437.db2.gz LKWDAXXCJVYOCQ-QFIPXVFZSA-N 2 0 451.558 3.608 20 0 JHADRP CCOCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001314303529 1070089151 /nfs/dbraw/zinc/08/91/51/1070089151.db2.gz RYISJODFLKSGGE-ISKFKSNPSA-N 2 0 454.663 3.790 20 0 JHADRP CCOCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001314302431 1070087250 /nfs/dbraw/zinc/08/72/50/1070087250.db2.gz IUMMXRDUUPNDHA-GGAORHGYSA-N 2 0 454.663 3.788 20 0 JHADRP CCOCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001314302432 1070087301 /nfs/dbraw/zinc/08/73/01/1070087301.db2.gz IUMMXRDUUPNDHA-GMAHTHKFSA-N 2 0 454.663 3.788 20 0 JHADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001312995151 1070217256 /nfs/dbraw/zinc/21/72/56/1070217256.db2.gz SYMIGDOWMUIZBD-DHLKQENFSA-N 2 0 457.707 3.591 20 0 JHADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001312995152 1070217447 /nfs/dbraw/zinc/21/74/47/1070217447.db2.gz SYMIGDOWMUIZBD-WIOPSUGQSA-N 2 0 457.707 3.591 20 0 JHADRP CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314399285 1070259436 /nfs/dbraw/zinc/25/94/36/1070259436.db2.gz SYTPXGFVZJNUKX-JOCHJYFZSA-N 2 0 460.642 3.815 20 0 JHADRP O=C(C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001307980462 1070267952 /nfs/dbraw/zinc/26/79/52/1070267952.db2.gz VOKKEAMBWZGHPX-JOCHJYFZSA-N 2 0 450.410 3.919 20 0 JHADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001308078422 1070305239 /nfs/dbraw/zinc/30/52/39/1070305239.db2.gz ROKUOEOTTFOEIN-ISKFKSNPSA-N 2 0 472.674 3.512 20 0 JHADRP C[NH+](C)C[C@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001313263600 1070309846 /nfs/dbraw/zinc/30/98/46/1070309846.db2.gz SMQJLXYNSWKLJL-QHCPKHFHSA-N 2 0 459.034 3.923 20 0 JHADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC001313340163 1070331325 /nfs/dbraw/zinc/33/13/25/1070331325.db2.gz BJIIOSKEGIACEH-CLJLJLNGSA-N 2 0 456.675 3.614 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313449474 1070374805 /nfs/dbraw/zinc/37/48/05/1070374805.db2.gz GEPMGFUTPUAFBG-ZDXQCDESSA-N 2 0 460.711 3.677 20 0 JHADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876163 1070453229 /nfs/dbraw/zinc/45/32/29/1070453229.db2.gz JXOSDIHKYJETLS-QUCCMNQESA-N 2 0 456.578 3.923 20 0 JHADRP CC1CC[NH+](CCCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC001309025495 1070492100 /nfs/dbraw/zinc/49/21/00/1070492100.db2.gz ZVIGWAOJIXPTTJ-IZZNHLLZSA-N 2 0 473.658 3.835 20 0 JHADRP C[NH+](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653583 1070766732 /nfs/dbraw/zinc/76/67/32/1070766732.db2.gz ZZRYCWPQBGKZPO-JTHBVZDNSA-N 2 0 472.653 3.782 20 0 JHADRP C[NH+](C)CCOc1ccccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314668241 1070803692 /nfs/dbraw/zinc/80/36/92/1070803692.db2.gz BNWZRFAHTRKDHB-XMMPIXPASA-N 2 0 498.716 3.719 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313652685 1070831403 /nfs/dbraw/zinc/83/14/03/1070831403.db2.gz XKXRQVKXPCIDGI-VWNXMTODSA-N 2 0 481.689 3.942 20 0 JHADRP CN(c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001314692413 1070852514 /nfs/dbraw/zinc/85/25/14/1070852514.db2.gz BUIGPHAAUNCAFW-HSZRJFAPSA-N 2 0 468.690 3.688 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001313659493 1070862969 /nfs/dbraw/zinc/86/29/69/1070862969.db2.gz IHOGDRDKCITIKJ-NMVJMZGASA-N 2 0 478.689 3.928 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001313662830 1070871490 /nfs/dbraw/zinc/87/14/90/1070871490.db2.gz XHOUNVIBGYEPOI-QHCPKHFHSA-N 2 0 461.658 3.744 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313665437 1070880277 /nfs/dbraw/zinc/88/02/77/1070880277.db2.gz DVMKBLNEYUYGRE-XZOQPEGZSA-N 2 0 454.663 3.879 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001313667167 1070887958 /nfs/dbraw/zinc/88/79/58/1070887958.db2.gz JSPHCUVFYSTDNL-DNVJHFABSA-N 2 0 461.743 3.592 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001313667169 1070888014 /nfs/dbraw/zinc/88/80/14/1070888014.db2.gz JSPHCUVFYSTDNL-XPWALMASSA-N 2 0 461.743 3.592 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001313695094 1070958681 /nfs/dbraw/zinc/95/86/81/1070958681.db2.gz MZFYKJJVCNWJSJ-UHFFFAOYSA-N 2 0 467.706 3.590 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313694664 1070957285 /nfs/dbraw/zinc/95/72/85/1070957285.db2.gz HPQIKMUYTHSJOT-ZRBLBEILSA-N 2 0 460.711 3.851 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001313695825 1070961257 /nfs/dbraw/zinc/96/12/57/1070961257.db2.gz QCHNXARPWDCXDB-HSZRJFAPSA-N 2 0 460.711 3.851 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001313695826 1070961322 /nfs/dbraw/zinc/96/13/22/1070961322.db2.gz QCHNXARPWDCXDB-QHCPKHFHSA-N 2 0 460.711 3.851 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001313696473 1070963412 /nfs/dbraw/zinc/96/34/12/1070963412.db2.gz HPLICUDCVUJZKS-QGZVFWFLSA-N 2 0 492.510 3.839 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001313701175 1070979473 /nfs/dbraw/zinc/97/94/73/1070979473.db2.gz BWZAKCWEFIQNGX-NBGIEHNGSA-N 2 0 472.703 3.559 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](C)[NH+](C)C)C1 ZINC001313703505 1070986785 /nfs/dbraw/zinc/98/67/85/1070986785.db2.gz XREWONFLYWABGI-ZWKOTPCHSA-N 2 0 493.494 3.834 20 0 JHADRP CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313703715 1070988047 /nfs/dbraw/zinc/98/80/47/1070988047.db2.gz DEYNEOCPFMIGGJ-HSZRJFAPSA-N 2 0 454.663 3.940 20 0 JHADRP CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001313721199 1071023072 /nfs/dbraw/zinc/02/30/72/1071023072.db2.gz XBXYCRUMSRBFII-VSKRKVRLSA-N 2 0 489.709 3.755 20 0 JHADRP CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001313721198 1071023150 /nfs/dbraw/zinc/02/31/50/1071023150.db2.gz XBXYCRUMSRBFII-FSSWDIPSSA-N 2 0 489.709 3.755 20 0 JHADRP CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001313721197 1071023297 /nfs/dbraw/zinc/02/32/97/1071023297.db2.gz XBXYCRUMSRBFII-FKBYEOEOSA-N 2 0 489.709 3.755 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001313724985 1071031609 /nfs/dbraw/zinc/03/16/09/1071031609.db2.gz CWXHYIPPFYFSQQ-VWNXMTODSA-N 2 0 454.663 3.533 20 0 JHADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC001310020748 1071065289 /nfs/dbraw/zinc/06/52/89/1071065289.db2.gz RWLBGIDFVLYCST-UHFFFAOYSA-N 2 0 453.631 3.789 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313858872 1071361508 /nfs/dbraw/zinc/36/15/08/1071361508.db2.gz CWIXMIOXSHMZSL-HSALFYBXSA-N 2 0 458.651 3.612 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313859340 1071363813 /nfs/dbraw/zinc/36/38/13/1071363813.db2.gz GABJVPTUNUCMDZ-RBUKOAKNSA-N 2 0 492.615 3.576 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313865913 1071394396 /nfs/dbraw/zinc/39/43/96/1071394396.db2.gz IWICSRXZRUETOO-RTWAWAEBSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866902 1071396544 /nfs/dbraw/zinc/39/65/44/1071396544.db2.gz HRDNRBGTGWGTPW-PKTZIBPZSA-N 2 0 468.690 3.941 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313868181 1071403220 /nfs/dbraw/zinc/40/32/20/1071403220.db2.gz BEFUIMVTJQBMEX-PKTZIBPZSA-N 2 0 461.658 3.705 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313868511 1071404406 /nfs/dbraw/zinc/40/44/06/1071404406.db2.gz NWHONMXFJQGGRO-XZOQPEGZSA-N 2 0 468.690 3.867 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001313869698 1071409209 /nfs/dbraw/zinc/40/92/09/1071409209.db2.gz QLJKXOZLGWTBMK-DXIQSLLYSA-N 2 0 482.629 3.777 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001313870437 1071413359 /nfs/dbraw/zinc/41/33/59/1071413359.db2.gz RRYGOFPZWYZJBQ-PMACEKPBSA-N 2 0 461.054 3.630 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001313870645 1071414312 /nfs/dbraw/zinc/41/43/12/1071414312.db2.gz VFSUCCOSJKBNMQ-DYXWJJEUSA-N 2 0 459.708 3.673 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313871563 1071417517 /nfs/dbraw/zinc/41/75/17/1071417517.db2.gz UKPLFYBWCMWGRR-ROUUACIJSA-N 2 0 479.044 3.767 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@@H]1C ZINC001313872804 1071422168 /nfs/dbraw/zinc/42/21/68/1071422168.db2.gz XIZKWPBUFKVKRR-FCHUYYIVSA-N 2 0 460.711 3.819 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313874873 1071431451 /nfs/dbraw/zinc/43/14/51/1071431451.db2.gz QRMQLSTWYDEFHU-RTBURBONSA-N 2 0 461.054 3.628 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313877430 1071441575 /nfs/dbraw/zinc/44/15/75/1071441575.db2.gz TZXMLXWULVFOKY-ACRUOGEOSA-N 2 0 490.643 3.567 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313877959 1071443871 /nfs/dbraw/zinc/44/38/71/1071443871.db2.gz YAOQUWYXVRGFNI-CZYKHXBRSA-N 2 0 454.663 3.993 20 0 JHADRP CC[NH+]1CCC(CCn2c(CC(C)C)nnc2N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001313879655 1071450722 /nfs/dbraw/zinc/45/07/22/1071450722.db2.gz JGMMMRAGBITYBV-UHFFFAOYSA-N 2 0 452.691 3.963 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313929260 1071586578 /nfs/dbraw/zinc/58/65/78/1071586578.db2.gz FVQNHCDLCSFTDA-UXHICEINSA-N 2 0 491.080 3.713 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313930245 1071588904 /nfs/dbraw/zinc/58/89/04/1071588904.db2.gz AOVGJRGCJZBCAU-GHTZIAJQSA-N 2 0 492.510 3.697 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC001313931183 1071591126 /nfs/dbraw/zinc/59/11/26/1071591126.db2.gz BKABDMYQDCDTIW-DHIUTWEWSA-N 2 0 481.689 3.942 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313932013 1071594228 /nfs/dbraw/zinc/59/42/28/1071594228.db2.gz GQVWCVFUQOHCOJ-SQNIBIBYSA-N 2 0 478.483 3.687 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[NH+](C)C(C)C)C[C@H]1C ZINC001313934090 1071600359 /nfs/dbraw/zinc/60/03/59/1071600359.db2.gz SDNLMBCNCMVBFE-QGZVFWFLSA-N 2 0 479.467 3.587 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1)C1CC1 ZINC001313934198 1071601046 /nfs/dbraw/zinc/60/10/46/1071601046.db2.gz QLMFSGWRLASCCP-KRWDZBQOSA-N 2 0 461.452 3.722 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C[C@H]1C ZINC001313934722 1071602911 /nfs/dbraw/zinc/60/29/11/1071602911.db2.gz VCVCCTUTSYJMJP-XMSQKQJNSA-N 2 0 452.603 3.688 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313934988 1071604333 /nfs/dbraw/zinc/60/43/33/1071604333.db2.gz UKJKECHEHKZOTF-YKSBVNFPSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313935850 1071607100 /nfs/dbraw/zinc/60/71/00/1071607100.db2.gz JRNTXHJIGKGKTH-FCHUYYIVSA-N 2 0 454.663 3.996 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313948568 1071633835 /nfs/dbraw/zinc/63/38/35/1071633835.db2.gz LBVSNBVFUJMVSV-NRFANRHFSA-N 2 0 470.662 3.661 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313951139 1071641091 /nfs/dbraw/zinc/64/10/91/1071641091.db2.gz ZYVXWFCQIMGLGQ-NRFANRHFSA-N 2 0 470.662 3.661 20 0 JHADRP CCN1CC[NH+](CCCCn2c(-c3ccccc3Cl)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001313955729 1071656110 /nfs/dbraw/zinc/65/61/10/1071656110.db2.gz ZMHUIXZWGMGVLW-UHFFFAOYSA-N 2 0 488.124 3.937 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313959089 1071665861 /nfs/dbraw/zinc/66/58/61/1071665861.db2.gz ZFZDVKQAZVPFDY-VWLOTQADSA-N 2 0 495.760 3.648 20 0 JHADRP CCc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)[NH+](C)C)cc1 ZINC001305921682 1068217377 /nfs/dbraw/zinc/21/73/77/1068217377.db2.gz ZUIZAWGGEYTOGO-RUZDIDTESA-N 2 0 468.690 3.643 20 0 JHADRP CCc1ccc(-c2nnc(N3CCC([NH+](CC)CC)CC3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001305935311 1068237217 /nfs/dbraw/zinc/23/72/17/1068237217.db2.gz PXIOZWKGPCVYMC-UHFFFAOYSA-N 2 0 468.690 3.665 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001305985077 1068333782 /nfs/dbraw/zinc/33/37/82/1068333782.db2.gz DOWYKQDBLFZDIV-RTWAWAEBSA-N 2 0 454.663 3.680 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCCC[C@H]2CC)CC[NH+]1CCOC ZINC001306319824 1068746030 /nfs/dbraw/zinc/74/60/30/1068746030.db2.gz NMYNTAJWPLPOLP-FGZHOGPDSA-N 2 0 458.651 3.658 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001306408403 1068885183 /nfs/dbraw/zinc/88/51/83/1068885183.db2.gz ILDFTPFWJCWHJT-LJQANCHMSA-N 2 0 481.472 3.895 20 0 JHADRP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001310747368 1069148655 /nfs/dbraw/zinc/14/86/55/1069148655.db2.gz ZUMSUXZJVSCFCT-UHFFFAOYSA-N 2 0 458.006 3.994 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC2(SC)CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC001306620435 1069306439 /nfs/dbraw/zinc/30/64/39/1069306439.db2.gz OYUCXSMAACWVCF-NRFANRHFSA-N 2 0 490.718 3.611 20 0 JHADRP Cc1nc2c(n1-c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)CC[NH2+]CC2 ZINC001164427127 718949320 /nfs/dbraw/zinc/94/93/20/718949320.db2.gz BAINMAMKLGWXDE-UHFFFAOYSA-N 2 0 477.996 3.579 20 0 JHADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164747365 720908439 /nfs/dbraw/zinc/90/84/39/720908439.db2.gz CTBYEPYGHKFFMX-XTEPFMGCSA-N 2 0 461.654 3.828 20 0 JHADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)CC1 ZINC001164753133 720930619 /nfs/dbraw/zinc/93/06/19/720930619.db2.gz QHSRBAVRUNYXSD-SVEHJYQDSA-N 2 0 491.680 3.705 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)CCC[C@H](CNC(=O)c3ccccc3)O4)c2)CC1 ZINC001164879754 721259808 /nfs/dbraw/zinc/25/98/08/721259808.db2.gz YNLKHLCHDKIAGB-SQHAQQRYSA-N 2 0 464.610 3.503 20 0 JHADRP FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164912275 721737408 /nfs/dbraw/zinc/73/74/08/721737408.db2.gz NPTCIPZJNVHGHN-XMMPIXPASA-N 2 0 457.569 3.593 20 0 JHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC3)C2)cc1 ZINC001164943539 721933687 /nfs/dbraw/zinc/93/36/87/721933687.db2.gz PNPFPYITWDHMGN-UHFFFAOYSA-N 2 0 450.627 3.640 20 0 JHADRP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306626478 1069322605 /nfs/dbraw/zinc/32/26/05/1069322605.db2.gz YYUBHOHFRWTOCE-XQUALCHDSA-N 2 0 476.710 3.577 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357598 1069341046 /nfs/dbraw/zinc/34/10/46/1069341046.db2.gz JVENAXOZTSLWSS-GJZUVCINSA-N 2 0 451.659 3.623 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001306677716 1069401807 /nfs/dbraw/zinc/40/18/07/1069401807.db2.gz BGCLOXIFECBYJO-WIOPSUGQSA-N 2 0 478.751 3.558 20 0 JHADRP C[C@@H]1CCC[C@](CNC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)([NH+](C)C)C1 ZINC001311651730 1069489166 /nfs/dbraw/zinc/48/91/66/1069489166.db2.gz AFPUGTXHWVFOMU-YKSBVNFPSA-N 2 0 450.071 3.662 20 0 JHADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1(c2cccc(F)c2)CCCCC1 ZINC001311670846 1069497382 /nfs/dbraw/zinc/49/73/82/1069497382.db2.gz JJFRLNJMQDBEKR-UHFFFAOYSA-N 2 0 453.606 3.934 20 0 JHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC001311719420 1069518459 /nfs/dbraw/zinc/51/84/59/1069518459.db2.gz USDTWYZHZPDJBO-FQEVSTJZSA-N 2 0 458.569 3.623 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC001306787394 1069591256 /nfs/dbraw/zinc/59/12/56/1069591256.db2.gz CJKJABPWDHERRY-FIXSFTCYSA-N 2 0 453.679 3.552 20 0 JHADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001311956043 1069634697 /nfs/dbraw/zinc/63/46/97/1069634697.db2.gz FXHQKLXSOQIUPC-RCZVLFRGSA-N 2 0 450.627 3.729 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001307031651 1069741305 /nfs/dbraw/zinc/74/13/05/1069741305.db2.gz MHSOKRKMOKKAEV-RTBURBONSA-N 2 0 479.044 3.626 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001307031648 1069741470 /nfs/dbraw/zinc/74/14/70/1069741470.db2.gz MHSOKRKMOKKAEV-MOPGFXCFSA-N 2 0 479.044 3.626 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001307046647 1069785950 /nfs/dbraw/zinc/78/59/50/1069785950.db2.gz YHJLELCIGCXDSP-UHFFFAOYSA-N 2 0 470.662 3.757 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001307047849 1069791984 /nfs/dbraw/zinc/79/19/84/1069791984.db2.gz BVLIRCUCZGGZLA-ZRZAMGCNSA-N 2 0 467.706 3.943 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)CC)n2Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001307050369 1069800017 /nfs/dbraw/zinc/80/00/17/1069800017.db2.gz RCMJLBGGXNETTJ-SQJMNOBHSA-N 2 0 468.690 3.717 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Cl)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001307049161 1069796723 /nfs/dbraw/zinc/79/67/23/1069796723.db2.gz IDFKKWPIVQKQHV-UHFFFAOYSA-N 2 0 488.124 3.935 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCCC2)CC1 ZINC001307050625 1069801497 /nfs/dbraw/zinc/80/14/97/1069801497.db2.gz DMAADTUJASEKCV-DHIUTWEWSA-N 2 0 460.711 3.993 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001307052072 1069806853 /nfs/dbraw/zinc/80/68/53/1069806853.db2.gz XXODMVNXGIVICU-TZRRMPRUSA-N 2 0 487.737 3.772 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001307053499 1069813259 /nfs/dbraw/zinc/81/32/59/1069813259.db2.gz QFZAUGPOIUGYLS-VWLOTQADSA-N 2 0 484.737 3.961 20 0 JHADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC001307641631 1070096870 /nfs/dbraw/zinc/09/68/70/1070096870.db2.gz YDOCRKBWINQDDY-MHZLTWQESA-N 2 0 451.611 3.787 20 0 JHADRP CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[NH+](C)C)cc1 ZINC001312818415 1070140630 /nfs/dbraw/zinc/14/06/30/1070140630.db2.gz MPZMFSZTVHISHD-VWLOTQADSA-N 2 0 457.707 3.547 20 0 JHADRP CCOCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001314384927 1070229958 /nfs/dbraw/zinc/22/99/58/1070229958.db2.gz LKYZXYULVNFTNG-QHCPKHFHSA-N 2 0 454.663 3.646 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314400141 1070260911 /nfs/dbraw/zinc/26/09/11/1070260911.db2.gz QCQMZBRNUOAVFQ-QHCPKHFHSA-N 2 0 454.663 3.566 20 0 JHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001308349639 1070360372 /nfs/dbraw/zinc/36/03/72/1070360372.db2.gz CSVQUXZHEQQNJH-UHFFFAOYSA-N 3 0 457.062 3.899 20 0 JHADRP OC1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001308438744 1070375884 /nfs/dbraw/zinc/37/58/84/1070375884.db2.gz FZHDNDNHDVLMMP-UHFFFAOYSA-N 2 0 455.400 3.752 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313449938 1070376336 /nfs/dbraw/zinc/37/63/36/1070376336.db2.gz ZVKXPYWSTBVRLD-QFIPXVFZSA-N 2 0 470.662 3.757 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@H]1CC ZINC001314500036 1070429672 /nfs/dbraw/zinc/42/96/72/1070429672.db2.gz RROVITPYTASUEX-JTHBVZDNSA-N 2 0 460.711 3.993 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314500763 1070432471 /nfs/dbraw/zinc/43/24/71/1070432471.db2.gz XXQACFDYKCJZKS-HKQJZWTQSA-N 2 0 490.737 3.967 20 0 JHADRP C[NH+](C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653257 1070764716 /nfs/dbraw/zinc/76/47/16/1070764716.db2.gz LCXMXNAQFRZHCK-FCHUYYIVSA-N 2 0 458.626 3.882 20 0 JHADRP C[NH+](C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653258 1070765433 /nfs/dbraw/zinc/76/54/33/1070765433.db2.gz LCXMXNAQFRZHCK-FGZHOGPDSA-N 2 0 458.626 3.882 20 0 JHADRP C[NH+](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653580 1070765929 /nfs/dbraw/zinc/76/59/29/1070765929.db2.gz ZZRYCWPQBGKZPO-FYYLOGMGSA-N 2 0 472.653 3.782 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1)c1cccc(F)c1 ZINC001314657076 1070776322 /nfs/dbraw/zinc/77/63/22/1070776322.db2.gz VPJREIPXVWYUDH-DEOSSOPVSA-N 2 0 486.680 3.857 20 0 JHADRP CN(c1nnc(-c2cccn2C)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314665829 1070798414 /nfs/dbraw/zinc/79/84/14/1070798414.db2.gz RJJHVTCYDXHUFI-HSZRJFAPSA-N 2 0 463.674 3.972 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001313659273 1070862366 /nfs/dbraw/zinc/86/23/66/1070862366.db2.gz XMUWWDJMZKXIOL-NRFANRHFSA-N 2 0 471.694 3.572 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001313666632 1070884917 /nfs/dbraw/zinc/88/49/17/1070884917.db2.gz IKDMABJTARRQRJ-QFIPXVFZSA-N 2 0 454.663 3.960 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC001313671141 1070898938 /nfs/dbraw/zinc/89/89/38/1070898938.db2.gz GMKKDAGWNFQDFW-JOCHJYFZSA-N 2 0 468.675 3.847 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001313691779 1070952073 /nfs/dbraw/zinc/95/20/73/1070952073.db2.gz XALAJMVSMNLPOP-KHVXQDHOSA-N 2 0 490.737 3.750 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001313695502 1070960018 /nfs/dbraw/zinc/96/00/18/1070960018.db2.gz PRNITSXPILSDIY-ISKFKSNPSA-N 2 0 454.663 3.786 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313727608 1071037211 /nfs/dbraw/zinc/03/72/11/1071037211.db2.gz VQZSTAKMTFKOSP-GPXOXTDOSA-N 2 0 484.737 3.961 20 0 JHADRP CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC001313803568 1071211779 /nfs/dbraw/zinc/21/17/79/1071211779.db2.gz SEDGDMKRFCICLS-LJQANCHMSA-N 2 0 478.483 3.831 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]2CCCC[C@H]2C1)CCC(F)(F)F ZINC001313808761 1071234519 /nfs/dbraw/zinc/23/45/19/1071234519.db2.gz BPFIOVKZYVORQD-IBGZPJMESA-N 2 0 465.568 3.597 20 0 JHADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC001310321769 1071305302 /nfs/dbraw/zinc/30/53/02/1071305302.db2.gz LRDMUAIMWOPGRZ-UHFFFAOYSA-N 2 0 450.381 3.594 20 0 JHADRP CCN(Cc1cccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1)C(=O)OC(C)(C)C ZINC001310328564 1071310768 /nfs/dbraw/zinc/31/07/68/1071310768.db2.gz WZSPJIIWBWLYPA-NHCUHLMSSA-N 2 0 461.651 3.647 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313859339 1071363662 /nfs/dbraw/zinc/36/36/62/1071363662.db2.gz GABJVPTUNUCMDZ-OALUTQOASA-N 2 0 492.615 3.576 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313859341 1071363740 /nfs/dbraw/zinc/36/37/40/1071363740.db2.gz GABJVPTUNUCMDZ-RTBURBONSA-N 2 0 492.615 3.576 20 0 JHADRP CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CC2)CC1 ZINC001310423952 1071383020 /nfs/dbraw/zinc/38/30/20/1071383020.db2.gz QUCRQBJTXKJUSW-UHFFFAOYSA-N 2 0 457.663 3.574 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001313863212 1071380580 /nfs/dbraw/zinc/38/05/80/1071380580.db2.gz RZGFIWLPWWGWCK-YRPNKDGESA-N 2 0 458.626 3.959 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313865908 1071394356 /nfs/dbraw/zinc/39/43/56/1071394356.db2.gz IWICSRXZRUETOO-LEWJYISDSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313869250 1071407383 /nfs/dbraw/zinc/40/73/83/1071407383.db2.gz OZMIZEATOHFJLS-QWQGWLCTSA-N 2 0 460.711 3.849 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001313870438 1071413375 /nfs/dbraw/zinc/41/33/75/1071413375.db2.gz RRYGOFPZWYZJBQ-UXHICEINSA-N 2 0 461.054 3.630 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313873624 1071425686 /nfs/dbraw/zinc/42/56/86/1071425686.db2.gz MOUCJIBBNPLHOL-VQTJNVASSA-N 2 0 472.703 3.700 20 0 JHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1)C[C@H]1CCCCO1 ZINC001310489570 1071428571 /nfs/dbraw/zinc/42/85/71/1071428571.db2.gz IGFCSVBFZWNRGD-UBFVSLLYSA-N 2 0 458.647 3.529 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313874504 1071428858 /nfs/dbraw/zinc/42/88/58/1071428858.db2.gz IHLCEZHFNMUAIF-OIBXWCBGSA-N 2 0 470.710 3.569 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313875308 1071432867 /nfs/dbraw/zinc/43/28/67/1071432867.db2.gz PVIKPYMJQIEMJX-FGZHOGPDSA-N 2 0 453.679 3.837 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313875970 1071436815 /nfs/dbraw/zinc/43/68/15/1071436815.db2.gz NFXCDJLVQMZGNC-HFMPRLQTSA-N 2 0 454.663 3.733 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001313877375 1071441663 /nfs/dbraw/zinc/44/16/63/1071441663.db2.gz STQYYKWQZPDFEH-ZFGGDYGUSA-N 2 0 468.690 3.917 20 0 JHADRP CC[NH+]1CCC(CCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001313877553 1071442358 /nfs/dbraw/zinc/44/23/58/1071442358.db2.gz VNJDTLNHTLXNBP-UHFFFAOYSA-N 2 0 484.689 3.862 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313877306 1071440704 /nfs/dbraw/zinc/44/07/04/1071440704.db2.gz WMTQBAWTGUAICN-ACESQOTJSA-N 2 0 455.695 3.961 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313883117 1071460762 /nfs/dbraw/zinc/46/07/62/1071460762.db2.gz IGCMVDORTXRBKL-HBMCJLEFSA-N 2 0 458.626 3.647 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313890397 1071482515 /nfs/dbraw/zinc/48/25/15/1071482515.db2.gz YJTJLPBEVZHWFN-HSZRJFAPSA-N 2 0 456.654 3.906 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313896187 1071499414 /nfs/dbraw/zinc/49/94/14/1071499414.db2.gz NFXLCPXLXSAGAD-JOCHJYFZSA-N 2 0 470.662 3.756 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001313906628 1071524767 /nfs/dbraw/zinc/52/47/67/1071524767.db2.gz YCBPETPDTIROQV-BHIFYINESA-N 2 0 488.652 3.589 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001313906629 1071524867 /nfs/dbraw/zinc/52/48/67/1071524867.db2.gz YCBPETPDTIROQV-FDFHNCONSA-N 2 0 488.652 3.589 20 0 JHADRP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313905728 1071521977 /nfs/dbraw/zinc/52/19/77/1071521977.db2.gz QXRVCINHWCDACU-QFIPXVFZSA-N 2 0 470.662 3.757 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313925384 1071573335 /nfs/dbraw/zinc/57/33/35/1071573335.db2.gz PHRUQGFHDBHPOT-VAMGGRTRSA-N 2 0 492.087 3.683 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313929257 1071586593 /nfs/dbraw/zinc/58/65/93/1071586593.db2.gz FVQNHCDLCSFTDA-PMACEKPBSA-N 2 0 491.080 3.713 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313932012 1071594128 /nfs/dbraw/zinc/59/41/28/1071594128.db2.gz GQVWCVFUQOHCOJ-KURKYZTESA-N 2 0 478.483 3.687 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313932746 1071596481 /nfs/dbraw/zinc/59/64/81/1071596481.db2.gz IFHNXJRILXKZOB-JOCHJYFZSA-N 2 0 481.689 3.942 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933912 1071599690 /nfs/dbraw/zinc/59/96/90/1071599690.db2.gz OPNINGBAMRQFBT-QGZVFWFLSA-N 2 0 478.483 3.688 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[NH+](C)C(C)C)C[C@@H]1C ZINC001313935126 1071604868 /nfs/dbraw/zinc/60/48/68/1071604868.db2.gz XCLNJGYHRQWEGI-SFHVURJKSA-N 2 0 493.494 3.977 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313939537 1071613479 /nfs/dbraw/zinc/61/34/79/1071613479.db2.gz CFCIEXOMJZXCFJ-LJQANCHMSA-N 2 0 459.708 3.819 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313942565 1071620866 /nfs/dbraw/zinc/62/08/66/1071620866.db2.gz KAAGIYXPJBITBY-XZOQPEGZSA-N 2 0 454.663 3.552 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001313942775 1071621334 /nfs/dbraw/zinc/62/13/34/1071621334.db2.gz NOPWSVQCNFAUFM-VWNXMTODSA-N 2 0 498.716 3.532 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943308 1071622658 /nfs/dbraw/zinc/62/26/58/1071622658.db2.gz RKJBYSKDAGNKNV-KMDXXIMOSA-N 2 0 484.689 3.504 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313943794 1071623923 /nfs/dbraw/zinc/62/39/23/1071623923.db2.gz WHCDSAQUYUAGSZ-JOCHJYFZSA-N 2 0 486.730 3.832 20 0 JHADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001313944722 1071624899 /nfs/dbraw/zinc/62/48/99/1071624899.db2.gz GECWDWQRPGMCRW-QHCPKHFHSA-N 2 0 474.097 3.545 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313946698 1071629929 /nfs/dbraw/zinc/62/99/29/1071629929.db2.gz TZOZGOIPQPOCOB-ZLNRFVROSA-N 2 0 468.690 3.776 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001313947449 1071631617 /nfs/dbraw/zinc/63/16/17/1071631617.db2.gz HHLJVECSHAMBPP-PXDATVDWSA-N 2 0 484.689 3.907 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001313949757 1071636893 /nfs/dbraw/zinc/63/68/93/1071636893.db2.gz RHVJKIMNIJFBSL-KRWDZBQOSA-N 2 0 467.445 3.790 20 0 JHADRP CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986515 1068338242 /nfs/dbraw/zinc/33/82/42/1068338242.db2.gz XLUSGKUODPSSQZ-SFTDATJTSA-N 2 0 454.663 3.823 20 0 JHADRP CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306136159 1068538860 /nfs/dbraw/zinc/53/88/60/1068538860.db2.gz JJPSJMLAVILSKT-ODAXIHTASA-N 2 0 460.711 3.534 20 0 JHADRP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+](C)CC)c2)CC[N@@H+]1CCOC ZINC001306389846 1068827469 /nfs/dbraw/zinc/82/74/69/1068827469.db2.gz PLZNQICKKFQYBD-HSZRJFAPSA-N 2 0 456.679 3.623 20 0 JHADRP CC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCCCC2)CC[N@@H+]1CCOC ZINC001306443041 1068953417 /nfs/dbraw/zinc/95/34/17/1068953417.db2.gz BHTDUINISYAWLL-JOCHJYFZSA-N 2 0 474.719 3.742 20 0 JHADRP CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306450388 1068968819 /nfs/dbraw/zinc/96/88/19/1068968819.db2.gz MGFPQCNGYHJAJT-JWQCQUIFSA-N 2 0 482.717 3.731 20 0 JHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H](c3cccc(OC)c3)[NH+]3CCCC3)c2)CC1 ZINC001310598014 1069042009 /nfs/dbraw/zinc/04/20/09/1069042009.db2.gz VIQNITLOIRZDPQ-VWLOTQADSA-N 2 0 451.615 3.796 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306621274 1069308635 /nfs/dbraw/zinc/30/86/35/1069308635.db2.gz XOXVYZPIIZQGPI-QNWVGRARSA-N 2 0 472.678 3.904 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306621273 1069309047 /nfs/dbraw/zinc/30/90/47/1069309047.db2.gz XOXVYZPIIZQGPI-MQSCRBSSSA-N 2 0 472.678 3.904 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@H](c4ncn5c4cccc5Br)C3)c2)CC1 ZINC001164416682 718890858 /nfs/dbraw/zinc/89/08/58/718890858.db2.gz FPRUUBVGDGAQNE-IBGZPJMESA-N 2 0 472.387 3.543 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)nc1 ZINC001164687866 719686752 /nfs/dbraw/zinc/68/67/52/719686752.db2.gz WLUMYNXKFAJNAO-RUZDIDTESA-N 2 0 493.700 3.880 20 0 JHADRP Fc1cccnc1N(c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164692074 719759871 /nfs/dbraw/zinc/75/98/71/719759871.db2.gz RLASTIORAWEUCC-AJTFRIOCSA-N 2 0 459.569 3.833 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001164821372 720356085 /nfs/dbraw/zinc/35/60/85/720356085.db2.gz ADDDLJJQKRLVGF-FCHUYYIVSA-N 2 0 494.030 3.568 20 0 JHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164744279 720596477 /nfs/dbraw/zinc/59/64/77/720596477.db2.gz RDYCKNVOLBLAEA-UHFFFAOYSA-N 2 0 462.976 3.512 20 0 JHADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745198 720850365 /nfs/dbraw/zinc/85/03/65/720850365.db2.gz MPJPVXWGDVUPTB-GIFXNVAJSA-N 2 0 457.626 3.806 20 0 JHADRP CNC(=O)N[C@H]1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)c2ccc(C)cc21 ZINC001164898195 721493008 /nfs/dbraw/zinc/49/30/08/721493008.db2.gz GAUFHPOUBDNNIB-DEOSSOPVSA-N 2 0 463.626 3.775 20 0 JHADRP CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306635623 1069343089 /nfs/dbraw/zinc/34/30/89/1069343089.db2.gz RJHZLVMUCGNBSG-RJGXRXQPSA-N 2 0 476.710 3.577 20 0 JHADRP CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306654677 1069366559 /nfs/dbraw/zinc/36/65/59/1069366559.db2.gz QZSYSNWBMLCQDB-BJKOFHAPSA-N 2 0 467.706 3.752 20 0 JHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1Cl ZINC001311566728 1069440857 /nfs/dbraw/zinc/44/08/57/1069440857.db2.gz BHCNUJZVFOLTBJ-HSZRJFAPSA-N 2 0 451.055 3.913 20 0 JHADRP CC1CC[NH+]([C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cccs2)CC1 ZINC001311569771 1069442665 /nfs/dbraw/zinc/44/26/65/1069442665.db2.gz GTSZLGOMXRNCDF-XZOQPEGZSA-N 2 0 456.656 3.587 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306725688 1069466897 /nfs/dbraw/zinc/46/68/97/1069466897.db2.gz GRISFVQOGYPAAF-XMMPIXPASA-N 2 0 453.679 3.839 20 0 JHADRP C[C@@H](NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311820555 1069559890 /nfs/dbraw/zinc/55/98/90/1069559890.db2.gz SMAFPFGKTSJYAY-OAQYLSRUSA-N 2 0 459.654 3.984 20 0 JHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001311821927 1069560996 /nfs/dbraw/zinc/56/09/96/1069560996.db2.gz GVAQWXBLCHABPJ-LFAGZIFBSA-N 2 0 467.633 3.673 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001306781147 1069578700 /nfs/dbraw/zinc/57/87/00/1069578700.db2.gz HDJVNHOEDGCZQO-OEMFJLHTSA-N 2 0 460.711 3.851 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCCCCC2)C1 ZINC001306789443 1069595333 /nfs/dbraw/zinc/59/53/33/1069595333.db2.gz PZAIVABWHMMYPQ-NRFANRHFSA-N 2 0 459.708 3.678 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001306802338 1069608821 /nfs/dbraw/zinc/60/88/21/1069608821.db2.gz IYVKAMVWHRJCIA-UHFFFAOYSA-N 2 0 464.662 3.988 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001306802754 1069610177 /nfs/dbraw/zinc/61/01/77/1069610177.db2.gz PVCJCCCRDAXRBS-HSZRJFAPSA-N 2 0 474.097 3.547 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC001306805302 1069615818 /nfs/dbraw/zinc/61/58/18/1069615818.db2.gz XVDWIIJEUDNZHI-LADGPHEKSA-N 2 0 454.663 3.962 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001306807074 1069620852 /nfs/dbraw/zinc/62/08/52/1069620852.db2.gz NRJUVQSNIQNBJP-UHFFFAOYSA-N 2 0 475.081 3.879 20 0 JHADRP CCC[NH+]1CCC(NC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)CC1 ZINC001311975776 1069646216 /nfs/dbraw/zinc/64/62/16/1069646216.db2.gz MQDKMMFWCFRSGT-UHFFFAOYSA-N 2 0 451.453 3.929 20 0 JHADRP CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[N@H+](C)C2CCCC2)cc1OC ZINC001314176938 1069709193 /nfs/dbraw/zinc/70/91/93/1069709193.db2.gz OTLYVJRUEALHEK-UHFFFAOYSA-N 2 0 470.662 3.757 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C)o3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001307044952 1069780274 /nfs/dbraw/zinc/78/02/74/1069780274.db2.gz BNZFBDFBDBCOOX-QFIPXVFZSA-N 2 0 458.651 3.514 20 0 JHADRP C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001312252631 1069810305 /nfs/dbraw/zinc/81/03/05/1069810305.db2.gz KLCHTMYPCZQWDY-RCZVLFRGSA-N 2 0 450.627 3.666 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001307056222 1069826328 /nfs/dbraw/zinc/82/63/28/1069826328.db2.gz QDIKKAXKLYGDSQ-ILBGXUMGSA-N 2 0 468.690 3.958 20 0 JHADRP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC001312290233 1069841801 /nfs/dbraw/zinc/84/18/01/1069841801.db2.gz ZMTPIAIIERXNBM-ACRUOGEOSA-N 2 0 457.446 3.663 20 0 JHADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001312498405 1069974992 /nfs/dbraw/zinc/97/49/92/1069974992.db2.gz CKRQDZNPJCVNIM-AREMUKBSSA-N 2 0 450.627 3.584 20 0 JHADRP C[N@H+](CCNC(=O)C1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1)Cc1ccccc1 ZINC001307504205 1070022383 /nfs/dbraw/zinc/02/23/83/1070022383.db2.gz OUCUOELVIOCUBB-UHFFFAOYSA-N 2 0 459.537 3.511 20 0 JHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](C)c3ccc(OC(C)C)c(OC)c3)cc2)CC1 ZINC001307629149 1070088374 /nfs/dbraw/zinc/08/83/74/1070088374.db2.gz BECLBRXFVWXZCA-HXUWFJFHSA-N 2 0 454.615 3.914 20 0 JHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749553 1070164893 /nfs/dbraw/zinc/16/48/93/1070164893.db2.gz BHKVLGXJHXDKHD-IBGZPJMESA-N 2 0 454.640 3.731 20 0 JHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3ccccc3)[C@@H](O)c3ccccc3)cc2)CC1 ZINC001307812085 1070195261 /nfs/dbraw/zinc/19/52/61/1070195261.db2.gz FAWHUKAOQKLJMO-IZLXSDGUSA-N 2 0 458.606 3.832 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314395696 1070253930 /nfs/dbraw/zinc/25/39/30/1070253930.db2.gz FHAWTMNAZDPMPE-HSZRJFAPSA-N 2 0 454.663 3.710 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001314399870 1070260968 /nfs/dbraw/zinc/26/09/68/1070260968.db2.gz HGFKPGTXTCFGGA-PKTZIBPZSA-N 2 0 454.663 3.566 20 0 JHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001308177233 1070337448 /nfs/dbraw/zinc/33/74/48/1070337448.db2.gz HHUZCDWIBBMYSI-KCWPFWIISA-N 2 0 470.658 3.551 20 0 JHADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)cc1 ZINC001308281364 1070351864 /nfs/dbraw/zinc/35/18/64/1070351864.db2.gz CCJSRJURBCKVNI-UHFFFAOYSA-N 2 0 453.480 3.882 20 0 JHADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(Cl)c1OCC(N)=O ZINC001308344172 1070359170 /nfs/dbraw/zinc/35/91/70/1070359170.db2.gz XRUVCOGSXVJKOE-RZUBCFFCSA-N 2 0 458.002 3.603 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[NH+]2CC)C[C@@H]1CC ZINC001314496483 1070417888 /nfs/dbraw/zinc/41/78/88/1070417888.db2.gz RJFIDLLKZKKNJS-GOTSBHOMSA-N 2 0 454.663 3.675 20 0 JHADRP CCCOc1ccc(-c2nnc(N3C[C@@H](C)[NH+](CC)C[C@@H]3C)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313501261 1070524435 /nfs/dbraw/zinc/52/44/35/1070524435.db2.gz CUTDJHUNNBIAPW-YADHBBJMSA-N 2 0 482.673 3.923 20 0 JHADRP CCS[C@@H]1CCCCN(c2nnc(CC)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001314603224 1070657895 /nfs/dbraw/zinc/65/78/95/1070657895.db2.gz ARKGBBRVXRPMKF-JOCHJYFZSA-N 2 0 457.692 3.560 20 0 JHADRP C[NH+](C)C1(Cn2c(COc3ccccc3F)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001314657735 1070777274 /nfs/dbraw/zinc/77/72/74/1070777274.db2.gz DQAHYNIZORIWEP-UHFFFAOYSA-N 2 0 458.626 3.791 20 0 JHADRP C[NH+](C)[C@@]1(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCSC1 ZINC001314658276 1070778948 /nfs/dbraw/zinc/77/89/48/1070778948.db2.gz WXUXQUKXYJXEEC-RUZDIDTESA-N 2 0 490.693 3.744 20 0 JHADRP CN(c1nnc(-c2cccn2C)n1CC(C)(C)C[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314665831 1070798244 /nfs/dbraw/zinc/79/82/44/1070798244.db2.gz RJJHVTCYDXHUFI-QHCPKHFHSA-N 2 0 463.674 3.972 20 0 JHADRP CN(C)CC[NH+]1CCC(Cn2c(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001314670512 1070811971 /nfs/dbraw/zinc/81/19/71/1070811971.db2.gz GFZBIKLGKLXQPL-UHFFFAOYSA-N 2 0 499.723 3.701 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001313652682 1070831019 /nfs/dbraw/zinc/83/10/19/1070831019.db2.gz XKXRQVKXPCIDGI-ISKFKSNPSA-N 2 0 481.689 3.942 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313665425 1070880427 /nfs/dbraw/zinc/88/04/27/1070880427.db2.gz DVMKBLNEYUYGRE-DHIUTWEWSA-N 2 0 454.663 3.879 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001313668670 1070892790 /nfs/dbraw/zinc/89/27/90/1070892790.db2.gz RKVWCLCVNZWOFV-DHIUTWEWSA-N 2 0 484.689 3.585 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001313677418 1070925078 /nfs/dbraw/zinc/92/50/78/1070925078.db2.gz KFBVFHUGNQCBPO-RPWUZVMVSA-N 2 0 454.663 3.643 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001313677417 1070925193 /nfs/dbraw/zinc/92/51/93/1070925193.db2.gz KFBVFHUGNQCBPO-DNQXCXABSA-N 2 0 454.663 3.643 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313691701 1070952116 /nfs/dbraw/zinc/95/21/16/1070952116.db2.gz UQFUWMQRGBWIGZ-UHFFFAOYSA-N 2 0 482.677 3.501 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001313693263 1070954009 /nfs/dbraw/zinc/95/40/09/1070954009.db2.gz BHRNILGOYWMSIY-RUZDIDTESA-N 2 0 472.703 3.702 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313695022 1070958763 /nfs/dbraw/zinc/95/87/63/1070958763.db2.gz ZQRQSVLGHMXJED-GOTSBHOMSA-N 2 0 467.706 3.943 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001313701174 1070979314 /nfs/dbraw/zinc/97/93/14/1070979314.db2.gz BWZAKCWEFIQNGX-CPJSRVTESA-N 2 0 472.703 3.559 20 0 JHADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001313704016 1070989292 /nfs/dbraw/zinc/98/92/92/1070989292.db2.gz KYYHLDXUKWPJSX-RUZDIDTESA-N 2 0 495.716 3.537 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313715636 1071014702 /nfs/dbraw/zinc/01/47/02/1071014702.db2.gz KWSZDRKHVQOOPQ-YADHBBJMSA-N 2 0 456.683 3.501 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001313721495 1071024631 /nfs/dbraw/zinc/02/46/31/1071024631.db2.gz DVMBWJXDYRABDZ-JOCHJYFZSA-N 2 0 454.663 3.532 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313725758 1071033499 /nfs/dbraw/zinc/03/34/99/1071033499.db2.gz QPNNZZGWEUNOGH-OFNKIYASSA-N 2 0 470.662 3.832 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313727686 1071037785 /nfs/dbraw/zinc/03/77/85/1071037785.db2.gz YVXGLCSRHVVYKJ-RPWUZVMVSA-N 2 0 498.716 3.894 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001313727817 1071038191 /nfs/dbraw/zinc/03/81/91/1071038191.db2.gz HYZTVADVONJPDP-NOZRDPDXSA-N 2 0 467.706 3.943 20 0 JHADRP CCN(CC)C(=O)c1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1Cl ZINC001310028901 1071072015 /nfs/dbraw/zinc/07/20/15/1071072015.db2.gz ZFRXEHUGNWWQLQ-IBGZPJMESA-N 2 0 452.043 3.702 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]2CCCC[C@@H]2C1)CCC(F)(F)F ZINC001313808762 1071234597 /nfs/dbraw/zinc/23/45/97/1071234597.db2.gz BPFIOVKZYVORQD-LJQANCHMSA-N 2 0 465.568 3.597 20 0 JHADRP CC[N@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C(C)C)CC1)C(C)C ZINC001313820725 1071278873 /nfs/dbraw/zinc/27/88/73/1071278873.db2.gz UMNAFUASBHBHFW-UHFFFAOYSA-N 2 0 493.494 3.880 20 0 JHADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC001310299804 1071282868 /nfs/dbraw/zinc/28/28/68/1071282868.db2.gz RIZUHKMJGHHFOU-UHFFFAOYSA-N 2 0 457.472 3.989 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313860817 1071371803 /nfs/dbraw/zinc/37/18/03/1071371803.db2.gz OPVFDGKMTLNWGE-ISJBWFOZSA-N 2 0 499.729 3.503 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313865367 1071391899 /nfs/dbraw/zinc/39/18/99/1071391899.db2.gz ANMCFSZUMHVXBL-ZJZGAYNASA-N 2 0 482.717 3.870 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313865362 1071392159 /nfs/dbraw/zinc/39/21/59/1071392159.db2.gz ANMCFSZUMHVXBL-NEWJYFPISA-N 2 0 482.717 3.870 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313873707 1071426490 /nfs/dbraw/zinc/42/64/90/1071426490.db2.gz LPHVIGYVIUDNNS-WRALFONMSA-N 2 0 461.658 3.794 20 0 JHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493760 1071433521 /nfs/dbraw/zinc/43/35/21/1071433521.db2.gz KZOFYVURUSLSCY-SDHSZQHLSA-N 2 0 458.647 3.529 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313877307 1071440914 /nfs/dbraw/zinc/44/09/14/1071440914.db2.gz WMTQBAWTGUAICN-BJESRGMDSA-N 2 0 455.695 3.961 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001313885613 1071467316 /nfs/dbraw/zinc/46/73/16/1071467316.db2.gz FEUSFMGXOIFBOZ-GOSISDBHSA-N 2 0 461.054 3.869 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001313886460 1071470668 /nfs/dbraw/zinc/47/06/68/1071470668.db2.gz CKBGLTXSOMNCOG-HSZRJFAPSA-N 2 0 460.711 3.537 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001313889433 1071480884 /nfs/dbraw/zinc/48/08/84/1071480884.db2.gz KMDGNHYPMFTBJG-NRFANRHFSA-N 2 0 484.689 3.862 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313901589 1071511822 /nfs/dbraw/zinc/51/18/22/1071511822.db2.gz AYOLQJOTTMCFIY-HSZRJFAPSA-N 2 0 454.663 3.925 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313901628 1071511844 /nfs/dbraw/zinc/51/18/44/1071511844.db2.gz AYOLQJOTTMCFIY-QHCPKHFHSA-N 2 0 454.663 3.925 20 0 JHADRP CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313911960 1071539005 /nfs/dbraw/zinc/53/90/05/1071539005.db2.gz GCYWBQLCDHKMPN-NRFANRHFSA-N 2 0 470.662 3.661 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001313930235 1071588640 /nfs/dbraw/zinc/58/86/40/1071588640.db2.gz AKYMXNWNPQBOPB-DYESRHJHSA-N 2 0 486.462 3.869 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313931185 1071590964 /nfs/dbraw/zinc/59/09/64/1071590964.db2.gz BKABDMYQDCDTIW-GOTSBHOMSA-N 2 0 481.689 3.942 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@H]1C ZINC001313934803 1071603529 /nfs/dbraw/zinc/60/35/29/1071603529.db2.gz TZPCDDWFKJHUDM-JOCHJYFZSA-N 2 0 481.689 3.800 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313934208 1071601001 /nfs/dbraw/zinc/60/10/01/1071601001.db2.gz QNJWAUQIKHSZAV-QZTJIDSGSA-N 2 0 478.483 3.831 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313934993 1071604316 /nfs/dbraw/zinc/60/43/16/1071604316.db2.gz UOVKZUMIPZPEBV-RBUKOAKNSA-N 2 0 492.510 3.841 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCC[C@H]2C)C[C@H]1C ZINC001313935801 1071607185 /nfs/dbraw/zinc/60/71/85/1071607185.db2.gz YXSXWRLIELPQHI-IAGOWNOFSA-N 2 0 479.442 3.861 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313939536 1071613418 /nfs/dbraw/zinc/61/34/18/1071613418.db2.gz CFCIEXOMJZXCFJ-IBGZPJMESA-N 2 0 459.708 3.819 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313939922 1071614038 /nfs/dbraw/zinc/61/40/38/1071614038.db2.gz HVAJCPAXVPUPDC-LEWJYISDSA-N 2 0 452.672 3.981 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313941291 1071616138 /nfs/dbraw/zinc/61/61/38/1071616138.db2.gz BAASIBOIMQYKHR-HSZRJFAPSA-N 2 0 454.663 3.736 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941963 1071618898 /nfs/dbraw/zinc/61/88/98/1071618898.db2.gz FRWJCEXUQUAEFV-SMIHKQSGSA-N 2 0 484.689 3.504 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313948569 1071634016 /nfs/dbraw/zinc/63/40/16/1071634016.db2.gz LBVSNBVFUJMVSV-OAQYLSRUSA-N 2 0 470.662 3.661 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313949375 1071636489 /nfs/dbraw/zinc/63/64/89/1071636489.db2.gz PHMWMFPTJJTYQB-XZOQPEGZSA-N 2 0 486.730 3.766 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951508 1071642455 /nfs/dbraw/zinc/64/24/55/1071642455.db2.gz JAHIOSFZNSZFBT-JWQCQUIFSA-N 2 0 495.760 3.950 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCOC1 ZINC001314125663 1072033595 /nfs/dbraw/zinc/03/35/95/1072033595.db2.gz OZXQOHMWBUUUGL-NLJOTIRTSA-N 2 0 490.737 3.609 20 0 JHADRP CCc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)[NH+](C)C)cc1 ZINC001305921683 1068217498 /nfs/dbraw/zinc/21/74/98/1068217498.db2.gz ZUIZAWGGEYTOGO-VWLOTQADSA-N 2 0 468.690 3.643 20 0 JHADRP CCc1ccc(-c2nnc(N3CCC[NH+](C4CCCC4)CC3)n2CC[N@H+](C)CCOC)cc1 ZINC001305945366 1068258737 /nfs/dbraw/zinc/25/87/37/1068258737.db2.gz KFEVXCYMIZZQMD-UHFFFAOYSA-N 2 0 454.663 3.540 20 0 JHADRP CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305950229 1068272181 /nfs/dbraw/zinc/27/21/81/1068272181.db2.gz MRQPBIFIJQWSPB-OAQYLSRUSA-N 2 0 454.663 3.539 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001305985539 1068335493 /nfs/dbraw/zinc/33/54/93/1068335493.db2.gz PIKKCFFVGXVQOT-NRFANRHFSA-N 2 0 454.663 3.824 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC2([NH+](C)C)CCCCC2)CC[N@@H+]1CCOC ZINC001306399996 1068856916 /nfs/dbraw/zinc/85/69/16/1068856916.db2.gz GYVOIECHBQECGY-HSZRJFAPSA-N 2 0 484.689 3.765 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001306420337 1068913299 /nfs/dbraw/zinc/91/32/99/1068913299.db2.gz WAAZSEZXHZHVQR-DHIUTWEWSA-N 2 0 484.689 3.621 20 0 JHADRP CC[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCOC ZINC001306429035 1068926822 /nfs/dbraw/zinc/92/68/22/1068926822.db2.gz YSISMCFRJXAVDP-XMMPIXPASA-N 2 0 454.663 3.593 20 0 JHADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC001310743120 1069146192 /nfs/dbraw/zinc/14/61/92/1069146192.db2.gz JSZNTMUGCSFOIT-KRWDZBQOSA-N 2 0 451.011 3.530 20 0 JHADRP Cc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C(=O)c1ccccc1 ZINC001311124372 1069279171 /nfs/dbraw/zinc/27/91/71/1069279171.db2.gz RIKMOCTWMPDEBO-UHFFFAOYSA-N 2 0 457.578 3.955 20 0 JHADRP COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164427150 718954859 /nfs/dbraw/zinc/95/48/59/718954859.db2.gz BNVBQTTWNYIRCB-VWLOTQADSA-N 2 0 478.637 3.556 20 0 JHADRP C[N@H+](Cc1ccc(N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)nc1)C1CC1 ZINC001164630316 719138276 /nfs/dbraw/zinc/13/82/76/719138276.db2.gz ITHJSVFWNUNKKM-UHFFFAOYSA-N 2 0 468.609 3.919 20 0 JHADRP CCOC(=O)c1c[nH]c2cc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)[nH+]cc21 ZINC001164710439 720136436 /nfs/dbraw/zinc/13/64/36/720136436.db2.gz BMWVLGYLDSDLRD-FQEVSTJZSA-N 2 0 463.582 3.642 20 0 JHADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891951 721418914 /nfs/dbraw/zinc/41/89/14/721418914.db2.gz WXKPOGKULFQKIM-YWEHKCAJSA-N 2 0 459.638 3.850 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CCOC[C@H]4COc4cccnc4)CC3)c2)CC1 ZINC001164797271 721604235 /nfs/dbraw/zinc/60/42/35/721604235.db2.gz AZFRWLDZRKRNCF-NRFANRHFSA-N 2 0 452.599 3.652 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](c4ccccc4)[C@@]4(CCN(c5cccnc5)C4=O)C3)c2)CC1 ZINC001164909786 721742482 /nfs/dbraw/zinc/74/24/82/721742482.db2.gz DQKANUPTVDBVBQ-GGXMVOPNSA-N 2 0 483.616 3.977 20 0 JHADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)CC2)c1 ZINC001311379586 1069353101 /nfs/dbraw/zinc/35/31/01/1069353101.db2.gz BEABHMCVTBNDHY-HSZRJFAPSA-N 2 0 451.659 3.936 20 0 JHADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H](C[NH+](C)C)c3ccc(Cl)cc3)CC2)c1 ZINC001311381520 1069354606 /nfs/dbraw/zinc/35/46/06/1069354606.db2.gz SOEUAIYJBLHXBH-XMMPIXPASA-N 2 0 458.050 3.763 20 0 JHADRP CC[C@@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311395272 1069359767 /nfs/dbraw/zinc/35/97/67/1069359767.db2.gz DLYIENJCECTEKR-ORFBVSJDSA-N 2 0 452.565 3.928 20 0 JHADRP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001311481624 1069397656 /nfs/dbraw/zinc/39/76/56/1069397656.db2.gz KNBLBCRHUNRFTI-OAQYLSRUSA-N 2 0 450.414 3.955 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC[NH+](CC)C2)CC1 ZINC001306677700 1069401600 /nfs/dbraw/zinc/40/16/00/1069401600.db2.gz AYOFNONLRABGDV-HSZRJFAPSA-N 2 0 453.679 3.939 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306725767 1069467061 /nfs/dbraw/zinc/46/70/61/1069467061.db2.gz HHJCTGGPSZRJML-XMMPIXPASA-N 2 0 453.679 3.885 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001306784908 1069586135 /nfs/dbraw/zinc/58/61/35/1069586135.db2.gz OZQXIQXEJZSQOA-FPOVZHCZSA-N 2 0 453.660 3.873 20 0 JHADRP C[C@H]1CN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC001312160926 1069757832 /nfs/dbraw/zinc/75/78/32/1069757832.db2.gz NRKHRKACUDBEPG-QHCPKHFHSA-N 2 0 452.643 3.566 20 0 JHADRP C[NH+](C)[C@H](CNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001312166022 1069760361 /nfs/dbraw/zinc/76/03/61/1069760361.db2.gz RLCIJOSPEOSEAA-HSZRJFAPSA-N 2 0 459.034 3.659 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001307041878 1069770705 /nfs/dbraw/zinc/77/07/05/1069770705.db2.gz WCWWJKNXJPLBBJ-DEOSSOPVSA-N 2 0 453.679 3.552 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC001307044490 1069778115 /nfs/dbraw/zinc/77/81/15/1069778115.db2.gz GLHYKQIDTOHHMF-HKBOAZHASA-N 2 0 458.626 3.647 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)C2CC[NH+](CCC)CC2)C1 ZINC001307046026 1069784012 /nfs/dbraw/zinc/78/40/12/1069784012.db2.gz QAJHVPKYUFRZMF-NRFANRHFSA-N 2 0 454.663 3.996 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C)o3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001307044951 1069780233 /nfs/dbraw/zinc/78/02/33/1069780233.db2.gz BNZFBDFBDBCOOX-JOCHJYFZSA-N 2 0 458.651 3.514 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307045188 1069781021 /nfs/dbraw/zinc/78/10/21/1069781021.db2.gz LQZMRDDGJUGSNV-HSZRJFAPSA-N 2 0 454.663 3.818 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001307048343 1069793187 /nfs/dbraw/zinc/79/31/87/1069793187.db2.gz AHGOBYCOJDKUSA-UHFFFAOYSA-N 2 0 468.690 3.717 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001307048860 1069795308 /nfs/dbraw/zinc/79/53/08/1069795308.db2.gz HJZYYFNETQKVTP-UHFFFAOYSA-N 2 0 495.716 3.713 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001307051131 1069803195 /nfs/dbraw/zinc/80/31/95/1069803195.db2.gz XPCWHKZXPHJTKK-XCRWMPKNSA-N 2 0 490.737 3.751 20 0 JHADRP C[C@@H]1C[C@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001312252633 1069810559 /nfs/dbraw/zinc/81/05/59/1069810559.db2.gz KLCHTMYPCZQWDY-RDGATRHJSA-N 2 0 450.627 3.666 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccsc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001307053181 1069811421 /nfs/dbraw/zinc/81/14/21/1069811421.db2.gz MCBGVANMQSXXQL-HSZRJFAPSA-N 2 0 462.733 3.678 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001307057633 1069834810 /nfs/dbraw/zinc/83/48/10/1069834810.db2.gz WLUDQDXIYXEUEC-LADGPHEKSA-N 2 0 454.663 3.786 20 0 JHADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001307058175 1069838128 /nfs/dbraw/zinc/83/81/28/1069838128.db2.gz YIGOFYLFJJSDOO-UNMCSNQZSA-N 2 0 470.662 3.757 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001307058917 1069841409 /nfs/dbraw/zinc/84/14/09/1069841409.db2.gz OPXYJSPTPLMGRZ-XQBPLPMBSA-N 2 0 459.708 3.817 20 0 JHADRP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314219391 1069862628 /nfs/dbraw/zinc/86/26/28/1069862628.db2.gz YDYQXFCIVFITCV-VJBWXMMDSA-N 2 0 484.689 3.907 20 0 JHADRP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC001312500280 1069975576 /nfs/dbraw/zinc/97/55/76/1069975576.db2.gz OTBVIVXBZYJCAB-AHWVRZQESA-N 2 0 458.691 3.862 20 0 JHADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@]3(C)CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001312615547 1070045773 /nfs/dbraw/zinc/04/57/73/1070045773.db2.gz OIFCDPAQVWVVSU-HHHXNRCGSA-N 2 0 450.627 3.825 20 0 JHADRP CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[NH+](C)C)cc1 ZINC001312818413 1070140727 /nfs/dbraw/zinc/14/07/27/1070140727.db2.gz MPZMFSZTVHISHD-RUZDIDTESA-N 2 0 457.707 3.547 20 0 JHADRP COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001307763637 1070173536 /nfs/dbraw/zinc/17/35/36/1070173536.db2.gz PNJTZGBODNBGNU-CBQGHPETSA-N 2 0 450.583 3.833 20 0 JHADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001307863106 1070215707 /nfs/dbraw/zinc/21/57/07/1070215707.db2.gz OOOUZJUDWDDMLI-DHIUTWEWSA-N 2 0 458.647 3.501 20 0 JHADRP CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCO2 ZINC001308457187 1070378400 /nfs/dbraw/zinc/37/84/00/1070378400.db2.gz PHZWQRFFQXIWBS-QHCPKHFHSA-N 2 0 458.647 3.832 20 0 JHADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876165 1070453351 /nfs/dbraw/zinc/45/33/51/1070453351.db2.gz JXOSDIHKYJETLS-UYAOXDASSA-N 2 0 456.578 3.923 20 0 JHADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876161 1070453514 /nfs/dbraw/zinc/45/35/14/1070453514.db2.gz JXOSDIHKYJETLS-ICSRJNTNSA-N 2 0 456.578 3.923 20 0 JHADRP C[C@@H]([NH2+]CCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001308931496 1070461312 /nfs/dbraw/zinc/46/13/12/1070461312.db2.gz KJLWGPCPKBBPIY-LJQANCHMSA-N 2 0 454.656 3.554 20 0 JHADRP CCCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313501260 1070524298 /nfs/dbraw/zinc/52/42/98/1070524298.db2.gz CUTDJHUNNBIAPW-VXKWHMMOSA-N 2 0 482.673 3.923 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001313571768 1070686218 /nfs/dbraw/zinc/68/62/18/1070686218.db2.gz GSNVUKZHYAAIBE-UHFFFAOYSA-N 2 0 461.658 3.927 20 0 JHADRP CCN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[NH+]1CCCCCC1)C(C)C ZINC001313616319 1070739903 /nfs/dbraw/zinc/73/99/03/1070739903.db2.gz UXNFUPIUGJAYNQ-UHFFFAOYSA-N 2 0 467.706 3.754 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314647999 1070751282 /nfs/dbraw/zinc/75/12/82/1070751282.db2.gz WQQCWPDEJVMMEE-QHCPKHFHSA-N 2 0 499.679 3.514 20 0 JHADRP C[NH+](C)CC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001314665269 1070796741 /nfs/dbraw/zinc/79/67/41/1070796741.db2.gz NCZCTCBNVSODNL-UHFFFAOYSA-N 2 0 476.673 3.671 20 0 JHADRP C[NH+](C)CCOCCn1c(-c2ccccc2F)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001314671540 1070814926 /nfs/dbraw/zinc/81/49/26/1070814926.db2.gz SLGYEZPFAKZIID-UHFFFAOYSA-N 2 0 472.653 3.755 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001313659274 1070862396 /nfs/dbraw/zinc/86/23/96/1070862396.db2.gz XMUWWDJMZKXIOL-OAQYLSRUSA-N 2 0 471.694 3.572 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313660889 1070867177 /nfs/dbraw/zinc/86/71/77/1070867177.db2.gz AXGDXMSKWJCMNS-OAQYLSRUSA-N 2 0 454.667 3.558 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC=C(C)CC1 ZINC001313664377 1070876852 /nfs/dbraw/zinc/87/68/52/1070876852.db2.gz BSIAWZLZTUEPOP-DEOSSOPVSA-N 2 0 465.690 3.530 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCCCC1 ZINC001313666663 1070885056 /nfs/dbraw/zinc/88/50/56/1070885056.db2.gz IPVCVHCUOLYPMA-XMMPIXPASA-N 2 0 467.706 3.754 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313668662 1070892663 /nfs/dbraw/zinc/89/26/63/1070892663.db2.gz RHBVWCRTBJOAEN-RPWUZVMVSA-N 2 0 498.716 3.894 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001313675757 1070918245 /nfs/dbraw/zinc/91/82/45/1070918245.db2.gz BIEWIFBXKKFVEW-BJKOFHAPSA-N 2 0 454.663 3.786 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001313693003 1070953393 /nfs/dbraw/zinc/95/33/93/1070953393.db2.gz FZSMDFYCLSTIPT-DEOSSOPVSA-N 2 0 482.717 3.989 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313694375 1070956652 /nfs/dbraw/zinc/95/66/52/1070956652.db2.gz HPQIKMUYTHSJOT-DNVJHFABSA-N 2 0 460.711 3.851 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001313697010 1070963904 /nfs/dbraw/zinc/96/39/04/1070963904.db2.gz IZALTGLKHQWJQN-OAQYLSRUSA-N 2 0 454.663 3.996 20 0 JHADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001313701765 1070981377 /nfs/dbraw/zinc/98/13/77/1070981377.db2.gz YFURKRZJTACXIX-RUZDIDTESA-N 2 0 495.716 3.537 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001313707861 1070998690 /nfs/dbraw/zinc/99/86/90/1070998690.db2.gz TWIJSECFUMKNMU-NRFANRHFSA-N 2 0 488.124 3.793 20 0 JHADRP CC[NH+](CC)CCOCCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313719096 1071019509 /nfs/dbraw/zinc/01/95/09/1071019509.db2.gz XRMVJRGSTPHNFJ-FQEVSTJZSA-N 2 0 461.054 3.631 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001313724027 1071030148 /nfs/dbraw/zinc/03/01/48/1071030148.db2.gz MFBUJOWVZZAOEY-HSZRJFAPSA-N 2 0 461.658 3.707 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001313724340 1071030581 /nfs/dbraw/zinc/03/05/81/1071030581.db2.gz RJLNFMCAJQWMNZ-HXUWFJFHSA-N 2 0 475.081 3.877 20 0 JHADRP CC[N@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)C ZINC001313819024 1071271484 /nfs/dbraw/zinc/27/14/84/1071271484.db2.gz FUHMGJHEZBLUTQ-RPWUZVMVSA-N 2 0 499.773 3.703 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313861282 1071373459 /nfs/dbraw/zinc/37/34/59/1071373459.db2.gz QCGFUZUVOKHETK-FGZHOGPDSA-N 2 0 482.677 3.501 20 0 JHADRP CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N(C)C2CC[NH+](CC)CC2)cc1Cl ZINC001310422349 1071381492 /nfs/dbraw/zinc/38/14/92/1071381492.db2.gz NZPYUGXVMXSFSS-UHFFFAOYSA-N 2 0 452.043 3.750 20 0 JHADRP CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1Cl ZINC001310420214 1071379621 /nfs/dbraw/zinc/37/96/21/1071379621.db2.gz NNEAWAHTLZLRMK-SFTDATJTSA-N 2 0 452.043 3.796 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001313864057 1071385361 /nfs/dbraw/zinc/38/53/61/1071385361.db2.gz FULNRCGOQFYXBP-UXHICEINSA-N 2 0 470.662 3.756 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C)C(C)C)C[C@H]1C ZINC001313864603 1071387006 /nfs/dbraw/zinc/38/70/06/1071387006.db2.gz ZDCTWUHFVHDJAU-MSOLQXFVSA-N 2 0 463.468 3.967 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001313865164 1071391123 /nfs/dbraw/zinc/39/11/23/1071391123.db2.gz HZFQMSUESSQSNX-NHCUHLMSSA-N 2 0 488.124 3.791 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866899 1071396428 /nfs/dbraw/zinc/39/64/28/1071396428.db2.gz HRDNRBGTGWGTPW-GOTSBHOMSA-N 2 0 468.690 3.941 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001313870440 1071413196 /nfs/dbraw/zinc/41/31/96/1071413196.db2.gz RRYGOFPZWYZJBQ-WOJBJXKFSA-N 2 0 461.054 3.630 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001313932611 1071595702 /nfs/dbraw/zinc/59/57/02/1071595702.db2.gz IMTDDOGDFPRTLC-XMSQKQJNSA-N 2 0 454.644 3.849 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001313936880 1071609603 /nfs/dbraw/zinc/60/96/03/1071609603.db2.gz QONDBTSOOQEMMM-SFTDATJTSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001313936859 1071609792 /nfs/dbraw/zinc/60/97/92/1071609792.db2.gz QONDBTSOOQEMMM-LEWJYISDSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313935851 1071607291 /nfs/dbraw/zinc/60/72/91/1071607291.db2.gz JRNTXHJIGKGKTH-FGZHOGPDSA-N 2 0 454.663 3.996 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313936633 1071609076 /nfs/dbraw/zinc/60/90/76/1071609076.db2.gz HDNBRPKPZSPFBL-BHDDXSALSA-N 2 0 491.725 3.653 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313941475 1071617640 /nfs/dbraw/zinc/61/76/40/1071617640.db2.gz UYMNSUXKJISSAI-XZOQPEGZSA-N 2 0 468.690 3.867 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001313945053 1071625634 /nfs/dbraw/zinc/62/56/34/1071625634.db2.gz GEXNYVOIBKBRDS-RXVVDRJESA-N 2 0 457.022 3.949 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313947198 1071630783 /nfs/dbraw/zinc/63/07/83/1071630783.db2.gz GJJQTWFSWNRZGM-VQTJNVASSA-N 2 0 484.670 3.761 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313947199 1071631240 /nfs/dbraw/zinc/63/12/40/1071631240.db2.gz GJJQTWFSWNRZGM-WOJBJXKFSA-N 2 0 484.670 3.761 20 0 JHADRP CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313953057 1071647609 /nfs/dbraw/zinc/64/76/09/1071647609.db2.gz FWASJFGOABNSCL-BJKOFHAPSA-N 2 0 467.706 3.590 20 0 JHADRP CCc1ccc(-c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2C[C@H](C)[NH+](CC)CC)cc1 ZINC001305936443 1068239689 /nfs/dbraw/zinc/23/96/89/1068239689.db2.gz NIKUEAQPMHHHGA-QFIPXVFZSA-N 2 0 468.690 3.786 20 0 JHADRP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC001306586537 1069253292 /nfs/dbraw/zinc/25/32/92/1069253292.db2.gz IDBHYYYPZPCUQS-ISKFKSNPSA-N 2 0 452.599 3.539 20 0 JHADRP CCC[C@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCOC ZINC001306615134 1069295172 /nfs/dbraw/zinc/29/51/72/1069295172.db2.gz DRBLRKHFTYUIJO-FTJBHMTQSA-N 2 0 468.690 3.826 20 0 JHADRP CCC[C@H]1CN(c2nnc(C)n2C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCOC ZINC001306615139 1069295269 /nfs/dbraw/zinc/29/52/69/1069295269.db2.gz DRBLRKHFTYUIJO-UIOOFZCWSA-N 2 0 468.690 3.826 20 0 JHADRP [NH3+]C1([C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@H]2CF)CC1 ZINC001164622521 719121604 /nfs/dbraw/zinc/12/16/04/719121604.db2.gz PELSCDHPWCSLBQ-UYAOXDASSA-N 2 0 485.003 3.910 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001164821381 720356221 /nfs/dbraw/zinc/35/62/21/720356221.db2.gz ADDDLJJQKRLVGF-YADHBBJMSA-N 2 0 494.030 3.568 20 0 JHADRP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)c1 ZINC001164751730 720901239 /nfs/dbraw/zinc/90/12/39/720901239.db2.gz DDERNGUTZUXULT-WNJJXGMVSA-N 2 0 491.680 3.706 20 0 JHADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]cc21 ZINC001164746495 720907369 /nfs/dbraw/zinc/90/73/69/720907369.db2.gz AZAWDNNGSFBIEC-RBISFHTESA-N 2 0 489.620 3.890 20 0 JHADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)CC1 ZINC001164753134 720931116 /nfs/dbraw/zinc/93/11/16/720931116.db2.gz QHSRBAVRUNYXSD-VAVYLYDRSA-N 2 0 491.680 3.705 20 0 JHADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)CC1 ZINC001164753132 720931709 /nfs/dbraw/zinc/93/17/09/720931709.db2.gz QHSRBAVRUNYXSD-IRPSRAIASA-N 2 0 491.680 3.705 20 0 JHADRP Cc1nc(CO[C@H]2COC3(C2)CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)cs1 ZINC001165010991 722273180 /nfs/dbraw/zinc/27/31/80/722273180.db2.gz YOCPENZIYYAFEG-JOCHJYFZSA-N 2 0 458.628 3.664 20 0 JHADRP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1CCOC ZINC001306631602 1069332458 /nfs/dbraw/zinc/33/24/58/1069332458.db2.gz SOUVNGCIUUFJIZ-QFIPXVFZSA-N 2 0 462.727 3.926 20 0 JHADRP COc1ccc([C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[NH+](C)C)cc1OC ZINC001311350591 1069336872 /nfs/dbraw/zinc/33/68/72/1069336872.db2.gz VTOCYPYDICQDDR-CVDCTZTESA-N 2 0 454.615 3.831 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC ZINC001306652773 1069363683 /nfs/dbraw/zinc/36/36/83/1069363683.db2.gz YDYXMXZCUIOMCQ-RPWUZVMVSA-N 2 0 454.663 3.757 20 0 JHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422352 1069369955 /nfs/dbraw/zinc/36/99/55/1069369955.db2.gz HQHSMDABYGCPRS-USZFVNFHSA-N 2 0 455.691 3.661 20 0 JHADRP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001311481623 1069397803 /nfs/dbraw/zinc/39/78/03/1069397803.db2.gz KNBLBCRHUNRFTI-NRFANRHFSA-N 2 0 450.414 3.955 20 0 JHADRP CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001306679365 1069403808 /nfs/dbraw/zinc/40/38/08/1069403808.db2.gz IIQZFZWDGIZIAX-HSZRJFAPSA-N 2 0 467.662 3.554 20 0 JHADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001311497935 1069407001 /nfs/dbraw/zinc/40/70/01/1069407001.db2.gz SHFMDCKHMIXCES-AVJFOWIRSA-N 2 0 450.627 3.758 20 0 JHADRP CCCC[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001306681773 1069411783 /nfs/dbraw/zinc/41/17/83/1069411783.db2.gz UATPGGKBIQTBHO-URVUXULASA-N 2 0 458.626 3.962 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001306682505 1069413928 /nfs/dbraw/zinc/41/39/28/1069413928.db2.gz JDZFWFOJFYBPHI-UHFFFAOYSA-N 2 0 475.479 3.972 20 0 JHADRP COc1ccccc1[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001311574369 1069445656 /nfs/dbraw/zinc/44/56/56/1069445656.db2.gz RVGPBBNUDYUJMP-UKILVPOCSA-N 2 0 450.627 3.996 20 0 JHADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001306721353 1069457408 /nfs/dbraw/zinc/45/74/08/1069457408.db2.gz XKGZCFNYROFYFV-QHCPKHFHSA-N 2 0 473.710 3.526 20 0 JHADRP C[C@@H]1CCC[C@@](CNC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)([NH+](C)C)C1 ZINC001311651726 1069489174 /nfs/dbraw/zinc/48/91/74/1069489174.db2.gz AFPUGTXHWVFOMU-HYBUGGRVSA-N 2 0 450.071 3.662 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC001306805301 1069615712 /nfs/dbraw/zinc/61/57/12/1069615712.db2.gz XVDWIIJEUDNZHI-ISKFKSNPSA-N 2 0 454.663 3.962 20 0 JHADRP CCOc1ccc(-c2nnc(N3C[C@H]4CCC[NH+]4C[C@@H]3C)n2CCC[N@H+](C)C(C)C)cc1OC ZINC001314169816 1069678051 /nfs/dbraw/zinc/67/80/51/1069678051.db2.gz NUBHVOPRNVUQQI-RBBKRZOGSA-N 2 0 470.662 3.756 20 0 JHADRP CCC[NH+]1CCC(Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001307045911 1069783252 /nfs/dbraw/zinc/78/32/52/1069783252.db2.gz HMIZHXFIMJYGBN-MHZLTWQESA-N 2 0 490.737 3.751 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307047285 1069788212 /nfs/dbraw/zinc/78/82/12/1069788212.db2.gz ROIQCWXUIAGBMI-YTFSRNRJSA-N 2 0 460.711 3.849 20 0 JHADRP CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001314201230 1069795451 /nfs/dbraw/zinc/79/54/51/1069795451.db2.gz VOTIJDFJPXRHIN-JOCHJYFZSA-N 2 0 482.673 3.999 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001307052357 1069808268 /nfs/dbraw/zinc/80/82/68/1069808268.db2.gz YGRNFQUCSOQSHX-QFIPXVFZSA-N 2 0 451.619 3.855 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001307056223 1069826707 /nfs/dbraw/zinc/82/67/07/1069826707.db2.gz QDIKKAXKLYGDSQ-NOZRDPDXSA-N 2 0 468.690 3.958 20 0 JHADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1Cl ZINC001307515367 1070028543 /nfs/dbraw/zinc/02/85/43/1070028543.db2.gz SREZDTJWPKDVRK-RUZDIDTESA-N 2 0 455.002 3.756 20 0 JHADRP CCOCc1nnc(N2CC=C(C(C)(C)C)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001314322270 1070108042 /nfs/dbraw/zinc/10/80/42/1070108042.db2.gz ZSFMVTSNZMSKQP-UHFFFAOYSA-N 2 0 467.662 3.605 20 0 JHADRP Cn1ncc(I)c1C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001308251274 1070346283 /nfs/dbraw/zinc/34/62/83/1070346283.db2.gz NSYYUMKONUPGBH-UHFFFAOYSA-N 2 0 458.775 3.680 20 0 JHADRP COc1cc(CN2CC[C@@H]([NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC001308308481 1070354438 /nfs/dbraw/zinc/35/44/38/1070354438.db2.gz SPSJQQWIHAFKPE-HSZRJFAPSA-N 2 0 452.643 3.598 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001313446928 1070365411 /nfs/dbraw/zinc/36/54/11/1070365411.db2.gz DQISNYCCRPZHCE-HQNXYIODSA-N 2 0 487.737 3.772 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C[C@H]1CC ZINC001314494127 1070409076 /nfs/dbraw/zinc/40/90/76/1070409076.db2.gz NMGSXZYEMBZOMI-HSZRJFAPSA-N 2 0 490.737 3.548 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1CC ZINC001314494128 1070409126 /nfs/dbraw/zinc/40/91/26/1070409126.db2.gz NMGSXZYEMBZOMI-QHCPKHFHSA-N 2 0 490.737 3.548 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1CC ZINC001314496104 1070416268 /nfs/dbraw/zinc/41/62/68/1070416268.db2.gz NFRFFRZJYWHDTM-BKMJKUGQSA-N 2 0 486.730 3.628 20 0 JHADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876159 1070453255 /nfs/dbraw/zinc/45/32/55/1070453255.db2.gz JXOSDIHKYJETLS-AZUAARDMSA-N 2 0 456.578 3.923 20 0 JHADRP O=S(=O)(NCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309056389 1070511875 /nfs/dbraw/zinc/51/18/75/1070511875.db2.gz NMXLGKDUBPIVLM-BJKOFHAPSA-N 2 0 462.059 3.713 20 0 JHADRP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC001309294746 1070676613 /nfs/dbraw/zinc/67/66/13/1070676613.db2.gz KREFNUPIOOLHQK-GVXSCFBNSA-N 2 0 457.684 3.859 20 0 JHADRP C[NH+](C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C1CC1 ZINC001314655203 1070771677 /nfs/dbraw/zinc/77/16/77/1070771677.db2.gz KCSXLBJPHDUEKM-HSZRJFAPSA-N 2 0 456.654 3.906 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313670000 1070896314 /nfs/dbraw/zinc/89/63/14/1070896314.db2.gz XPYQBIDISYJPCW-NVQXNPDNSA-N 2 0 476.710 3.504 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313672342 1070903100 /nfs/dbraw/zinc/90/31/00/1070903100.db2.gz VQYJOESTZYXFPQ-VSKRKVRLSA-N 2 0 488.746 3.986 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001313694524 1070957253 /nfs/dbraw/zinc/95/72/53/1070957253.db2.gz GLRZGGWIYYPNBT-UHFFFAOYSA-N 2 0 478.689 3.878 20 0 JHADRP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313704128 1070988583 /nfs/dbraw/zinc/98/85/83/1070988583.db2.gz GSDXLVHHKNZMHF-YZUZCNPQSA-N 2 0 454.663 3.591 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001313714062 1071011564 /nfs/dbraw/zinc/01/15/64/1071011564.db2.gz WFTGOLCJGNAOPD-FQEVSTJZSA-N 2 0 491.775 3.629 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001313714395 1071012069 /nfs/dbraw/zinc/01/20/69/1071012069.db2.gz YEGRMJUGTPWRNZ-ODGPQVTHSA-N 2 0 472.653 3.782 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313716318 1071015989 /nfs/dbraw/zinc/01/59/89/1071015989.db2.gz QUKDBJYLMRMSKU-UHFFFAOYSA-N 2 0 451.663 3.947 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313859289 1071363572 /nfs/dbraw/zinc/36/35/72/1071363572.db2.gz FNKZYMIJWSNHHL-ZIFCJYIRSA-N 2 0 480.499 3.931 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001313863210 1071380245 /nfs/dbraw/zinc/38/02/45/1071380245.db2.gz RZGFIWLPWWGWCK-FYQPLNBISA-N 2 0 458.626 3.959 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313865363 1071392273 /nfs/dbraw/zinc/39/22/73/1071392273.db2.gz ANMCFSZUMHVXBL-QPXUXIHVSA-N 2 0 482.717 3.870 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001313867071 1071397206 /nfs/dbraw/zinc/39/72/06/1071397206.db2.gz JFWKFDPDHWOKJI-RPWUZVMVSA-N 2 0 481.733 3.998 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@H]1C ZINC001313872805 1071421937 /nfs/dbraw/zinc/42/19/37/1071421937.db2.gz XIZKWPBUFKVKRR-FGZHOGPDSA-N 2 0 460.711 3.819 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313877436 1071441492 /nfs/dbraw/zinc/44/14/92/1071441492.db2.gz TZXMLXWULVFOKY-QHAWAJNXSA-N 2 0 490.643 3.567 20 0 JHADRP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313878935 1071446669 /nfs/dbraw/zinc/44/66/69/1071446669.db2.gz WJRKWEWSSMWYHV-FSSWDIPSSA-N 2 0 470.662 3.659 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313878930 1071446988 /nfs/dbraw/zinc/44/69/88/1071446988.db2.gz WITVUJXYGZWPCK-RPWUZVMVSA-N 2 0 498.716 3.628 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313879202 1071448504 /nfs/dbraw/zinc/44/85/04/1071448504.db2.gz ZCKCVVFXYMNEKD-ZLNRFVROSA-N 2 0 484.689 3.905 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC001313879190 1071448529 /nfs/dbraw/zinc/44/85/29/1071448529.db2.gz YVZGTFZCYBFSEQ-VJBWXMMDSA-N 2 0 482.677 3.735 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001313881757 1071456083 /nfs/dbraw/zinc/45/60/83/1071456083.db2.gz CRJICTLTBFNOAJ-JBPLPALLSA-N 2 0 489.709 3.752 20 0 JHADRP CC[NH+]1CCC(CCn2c(CCc3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001313881977 1071456825 /nfs/dbraw/zinc/45/68/25/1071456825.db2.gz DYTZILREWLRVPG-JOCHJYFZSA-N 2 0 468.690 3.724 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313886306 1071469979 /nfs/dbraw/zinc/46/99/79/1071469979.db2.gz RKIRXANBWLSVJD-GXRSIYKFSA-N 2 0 492.778 3.943 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001313890145 1071482403 /nfs/dbraw/zinc/48/24/03/1071482403.db2.gz MIXQFFPZKNQXNV-ZWKOTPCHSA-N 2 0 491.478 3.588 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313928382 1071583751 /nfs/dbraw/zinc/58/37/51/1071583751.db2.gz BNTSAHQPHIWFRM-LADGPHEKSA-N 2 0 498.716 3.801 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001313930237 1071588937 /nfs/dbraw/zinc/58/89/37/1071588937.db2.gz AKYMXNWNPQBOPB-UTKZUKDTSA-N 2 0 486.462 3.869 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313935802 1071607129 /nfs/dbraw/zinc/60/71/29/1071607129.db2.gz YXSXWRLIELPQHI-IRXDYDNUSA-N 2 0 479.442 3.861 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001313940857 1071615608 /nfs/dbraw/zinc/61/56/08/1071615608.db2.gz PNKOBHAVHHKWJG-TZIWHRDSSA-N 2 0 459.708 3.532 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313943795 1071623803 /nfs/dbraw/zinc/62/38/03/1071623803.db2.gz WHCDSAQUYUAGSZ-QFIPXVFZSA-N 2 0 486.730 3.832 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001313945055 1071625722 /nfs/dbraw/zinc/62/57/22/1071625722.db2.gz GEXNYVOIBKBRDS-WIYYLYMNSA-N 2 0 457.022 3.949 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001313946806 1071629967 /nfs/dbraw/zinc/62/99/67/1071629967.db2.gz CDOZXEJCPAJYPE-DHIUTWEWSA-N 2 0 484.689 3.764 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313955637 1071656204 /nfs/dbraw/zinc/65/62/04/1071656204.db2.gz UETVSDPHKPBHJE-JOCHJYFZSA-N 2 0 459.727 3.520 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314127103 1072036889 /nfs/dbraw/zinc/03/68/89/1072036889.db2.gz UZVPLJDIBWGDKD-WXVAWEFUSA-N 2 0 490.737 3.751 20 0 JHADRP CC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001306386601 1068820420 /nfs/dbraw/zinc/82/04/20/1068820420.db2.gz JYVFWKFOVOYSCN-SFTDATJTSA-N 2 0 460.692 3.847 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@H](C)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306405623 1068874379 /nfs/dbraw/zinc/87/43/79/1068874379.db2.gz FMRKZTHSXQQXFU-IRFCIJBXSA-N 2 0 474.719 3.629 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306410137 1068890401 /nfs/dbraw/zinc/89/04/01/1068890401.db2.gz CYHIWYCYGZHQCQ-FDFHNCONSA-N 2 0 472.653 3.752 20 0 JHADRP Cc1cc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C(=O)OC(C)(C)C ZINC001310507347 1068989703 /nfs/dbraw/zinc/98/97/03/1068989703.db2.gz MMVKSQAKLKLKRF-UHFFFAOYSA-N 2 0 453.587 3.679 20 0 JHADRP CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCOC ZINC001306618304 1069301050 /nfs/dbraw/zinc/30/10/50/1069301050.db2.gz ONTVQYROOTXKHX-HSZRJFAPSA-N 2 0 456.679 3.623 20 0 JHADRP Clc1ncc2c(c1N1CCO[C@@H]3C[NH2+]CC[C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164406966 718863525 /nfs/dbraw/zinc/86/35/25/718863525.db2.gz IDDLNDJOVFADDX-NFBKMPQASA-N 2 0 469.029 3.571 20 0 JHADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164620782 719008303 /nfs/dbraw/zinc/00/83/03/719008303.db2.gz ZLVZTPBWAMEGML-VAVYLYDRSA-N 2 0 474.649 3.789 20 0 JHADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)c2ccccc21 ZINC001164681590 719677487 /nfs/dbraw/zinc/67/74/87/719677487.db2.gz NFENWIXIVOHVGV-DEOSSOPVSA-N 2 0 475.681 3.771 20 0 JHADRP c1ccc(C[N@@H+]2CCc3nc(N(c4nc(N5CCCC5)nc5c4C[NH2+]CC5)C4CC4)ccc3C2)cc1 ZINC001164841930 720743245 /nfs/dbraw/zinc/74/32/45/720743245.db2.gz AZIFOHCLCMRGDV-UHFFFAOYSA-N 2 0 481.648 3.976 20 0 JHADRP c1ncn(C[C@H]2C[C@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745199 720850156 /nfs/dbraw/zinc/85/01/56/720850156.db2.gz MPJPVXWGDVUPTB-JBRSBNLGSA-N 2 0 457.626 3.806 20 0 JHADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164747358 720908869 /nfs/dbraw/zinc/90/88/69/720908869.db2.gz CTBYEPYGHKFFMX-IXCJQBJRSA-N 2 0 461.654 3.828 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)CCC[C@H](CNC(=O)c3ccccc3)O4)c2)CC1 ZINC001164879753 721259650 /nfs/dbraw/zinc/25/96/50/721259650.db2.gz YNLKHLCHDKIAGB-SHQCIBLASA-N 2 0 464.610 3.503 20 0 JHADRP Cc1nc(COC[C@H]2CCC[C@]23CN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CCO3)cs1 ZINC001164782363 721445679 /nfs/dbraw/zinc/44/56/79/721445679.db2.gz JASZCEPCNXOJRL-NLFFAJNJSA-N 2 0 472.655 3.912 20 0 JHADRP FC1(F)CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906526 721696139 /nfs/dbraw/zinc/69/61/39/721696139.db2.gz NICFAAMJFBJHEO-JOCHJYFZSA-N 2 0 462.976 3.730 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164951265 721991282 /nfs/dbraw/zinc/99/12/82/721991282.db2.gz LQONGRYTWWFROG-QQKQFIJSSA-N 2 0 476.687 3.618 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357383 1069341135 /nfs/dbraw/zinc/34/11/35/1069341135.db2.gz HHBJBCYMGXGGTH-ZEQKJWHPSA-N 2 0 455.691 3.620 20 0 JHADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422350 1069370233 /nfs/dbraw/zinc/37/02/33/1069370233.db2.gz HQHSMDABYGCPRS-RMTZWNOUSA-N 2 0 455.691 3.661 20 0 JHADRP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)c1cccc(OC)c1 ZINC001311471065 1069394292 /nfs/dbraw/zinc/39/42/92/1069394292.db2.gz UWQLBMAFUDNTQK-AFESJLNVSA-N 2 0 450.627 3.994 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001306677939 1069402572 /nfs/dbraw/zinc/40/25/72/1069402572.db2.gz FXPGXFDRYAUGDV-GMAHTHKFSA-N 2 0 487.737 3.688 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001306679250 1069404327 /nfs/dbraw/zinc/40/43/27/1069404327.db2.gz PQWFFYHBVRAWIN-VWLOTQADSA-N 2 0 473.735 3.669 20 0 JHADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001311495379 1069405588 /nfs/dbraw/zinc/40/55/88/1069405588.db2.gz TUSNZFQUEBJFSX-HSZRJFAPSA-N 2 0 455.691 3.620 20 0 JHADRP CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001306686323 1069422611 /nfs/dbraw/zinc/42/26/11/1069422611.db2.gz BGVSSJYEIJTKHY-UHFFFAOYSA-N 2 0 459.708 3.820 20 0 JHADRP CCCC[N@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001306686273 1069422417 /nfs/dbraw/zinc/42/24/17/1069422417.db2.gz CQKTWBIDZBEGQR-TZIWHRDSSA-N 2 0 461.054 3.915 20 0 JHADRP CCCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001306689702 1069426962 /nfs/dbraw/zinc/42/69/62/1069426962.db2.gz YPBQZCMMYVCSRQ-HXUWFJFHSA-N 2 0 460.617 3.944 20 0 JHADRP CCC(CC)[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC001311536532 1069429005 /nfs/dbraw/zinc/42/90/05/1069429005.db2.gz WWLCEBCNGYCVLT-VXKWHMMOSA-N 2 0 450.693 3.957 20 0 JHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001311536942 1069429606 /nfs/dbraw/zinc/42/96/06/1069429606.db2.gz RYJGXUDAEWEGBR-VWLOTQADSA-N 2 0 450.627 3.858 20 0 JHADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718947 1069517818 /nfs/dbraw/zinc/51/78/18/1069517818.db2.gz MMNCMJSOLGMSIR-LEWJYISDSA-N 2 0 458.569 3.841 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001306783529 1069582267 /nfs/dbraw/zinc/58/22/67/1069582267.db2.gz JNHZRPYYVGJQRX-RTWAWAEBSA-N 2 0 475.081 3.735 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306786682 1069589935 /nfs/dbraw/zinc/58/99/35/1069589935.db2.gz YOFDMVWZAHFZBL-GBXCKJPGSA-N 2 0 465.621 3.950 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306786895 1069590613 /nfs/dbraw/zinc/59/06/13/1069590613.db2.gz YWJMRSCORMKRFN-OAQYLSRUSA-N 2 0 486.730 3.949 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001306787393 1069591160 /nfs/dbraw/zinc/59/11/60/1069591160.db2.gz CJKJABPWDHERRY-AKFKNWHVSA-N 2 0 453.679 3.552 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001306789349 1069594779 /nfs/dbraw/zinc/59/47/79/1069594779.db2.gz VZQURQJCXWXZOR-DPPGTGKWSA-N 2 0 467.706 3.943 20 0 JHADRP CCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC001314169069 1069675606 /nfs/dbraw/zinc/67/56/06/1069675606.db2.gz TWJPGTSAJBQZOW-PCCBWWKXSA-N 2 0 470.662 3.613 20 0 JHADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001312165012 1069760569 /nfs/dbraw/zinc/76/05/69/1069760569.db2.gz OCFRGVPBRSXSBS-UUSJWDGRSA-N 2 0 464.654 3.876 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001307039457 1069764195 /nfs/dbraw/zinc/76/41/95/1069764195.db2.gz AOXVCAUPRAFRAN-NRFANRHFSA-N 2 0 454.663 3.576 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC001307044569 1069778088 /nfs/dbraw/zinc/77/80/88/1069778088.db2.gz RCVFUGTYJGULGI-HJOGWXRNSA-N 2 0 473.754 3.593 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)[NH+](CC)C[C@H]2C)C1 ZINC001307044489 1069778374 /nfs/dbraw/zinc/77/83/74/1069778374.db2.gz GLHYKQIDTOHHMF-HBMCJLEFSA-N 2 0 458.626 3.647 20 0 JHADRP CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001312219408 1069790591 /nfs/dbraw/zinc/79/05/91/1069790591.db2.gz VXDCADGSGGZSHE-DQEYMECFSA-N 2 0 456.606 3.579 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001307051064 1069803154 /nfs/dbraw/zinc/80/31/54/1069803154.db2.gz VYZIKWFGMQBNAQ-LJQANCHMSA-N 2 0 478.483 3.831 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001307051759 1069805708 /nfs/dbraw/zinc/80/57/08/1069805708.db2.gz MCWBLZIRFRNCFH-UHFFFAOYSA-N 2 0 456.683 3.644 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001307052134 1069807770 /nfs/dbraw/zinc/80/77/70/1069807770.db2.gz ZNHBUNPSEJXJQM-RUZDIDTESA-N 2 0 495.716 3.782 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001307057631 1069833921 /nfs/dbraw/zinc/83/39/21/1069833921.db2.gz WLUDQDXIYXEUEC-ISKFKSNPSA-N 2 0 454.663 3.786 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001307058173 1069835674 /nfs/dbraw/zinc/83/56/74/1069835674.db2.gz YIGOFYLFJJSDOO-RBBKRZOGSA-N 2 0 470.662 3.757 20 0 JHADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC001312500281 1069975715 /nfs/dbraw/zinc/97/57/15/1069975715.db2.gz OTBVIVXBZYJCAB-AOYPEHQESA-N 2 0 458.691 3.862 20 0 JHADRP CCOCc1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314323434 1070108477 /nfs/dbraw/zinc/10/84/77/1070108477.db2.gz RUPZJVZINVPBLI-SFTDATJTSA-N 2 0 454.663 3.570 20 0 JHADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001307669887 1070113606 /nfs/dbraw/zinc/11/36/06/1070113606.db2.gz KCJIPUCIGKPDLW-NFBKMPQASA-N 2 0 458.647 3.524 20 0 JHADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750280 1070165846 /nfs/dbraw/zinc/16/58/46/1070165846.db2.gz HTVSDFWFVFHBTJ-NRFANRHFSA-N 2 0 458.647 3.688 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314395697 1070254168 /nfs/dbraw/zinc/25/41/68/1070254168.db2.gz FHAWTMNAZDPMPE-QHCPKHFHSA-N 2 0 454.663 3.710 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001313446657 1070363847 /nfs/dbraw/zinc/36/38/47/1070363847.db2.gz DPYZUBMCCMGYTM-ACRUOGEOSA-N 2 0 458.626 3.962 20 0 JHADRP COc1nccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)c1F ZINC001308434074 1070375175 /nfs/dbraw/zinc/37/51/75/1070375175.db2.gz HFCINPNUXOSCAO-UHFFFAOYSA-N 2 0 458.578 3.878 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313451445 1070379506 /nfs/dbraw/zinc/37/95/06/1070379506.db2.gz WRWOBZFMGIJHMW-FQEVSTJZSA-N 2 0 460.617 3.800 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001313451978 1070381379 /nfs/dbraw/zinc/38/13/79/1070381379.db2.gz FQZQMBUKOWIMGC-DEOSSOPVSA-N 2 0 470.710 3.571 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001313453946 1070387180 /nfs/dbraw/zinc/38/71/80/1070387180.db2.gz YEWIEDDEANHVAA-GOTSBHOMSA-N 2 0 454.663 3.879 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001313453947 1070387543 /nfs/dbraw/zinc/38/75/43/1070387543.db2.gz YEWIEDDEANHVAA-PKTZIBPZSA-N 2 0 454.663 3.879 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1CC ZINC001314492930 1070406096 /nfs/dbraw/zinc/40/60/96/1070406096.db2.gz BZORYYLUWOAXPO-WIOPSUGQSA-N 2 0 468.690 3.785 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314500031 1070428987 /nfs/dbraw/zinc/42/89/87/1070428987.db2.gz RROVITPYTASUEX-GGAORHGYSA-N 2 0 460.711 3.993 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H]1CC ZINC001314500765 1070432395 /nfs/dbraw/zinc/43/23/95/1070432395.db2.gz XXQACFDYKCJZKS-LAOBSVPGSA-N 2 0 490.737 3.967 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1)c1cccs1 ZINC001314650602 1070759350 /nfs/dbraw/zinc/75/93/50/1070759350.db2.gz JWCGJDDIHQXADI-NRFANRHFSA-N 2 0 474.719 3.780 20 0 JHADRP C[NH+](C)[C@H](Cn1c(CCc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC001314656262 1070774477 /nfs/dbraw/zinc/77/44/77/1070774477.db2.gz WTUXVBRREYUECT-JOCHJYFZSA-N 2 0 450.631 3.880 20 0 JHADRP C[NH+](C)CC(C)(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001314662897 1070790453 /nfs/dbraw/zinc/79/04/53/1070790453.db2.gz LVXRICUNNGAQPX-SFHVURJKSA-N 2 0 478.483 3.688 20 0 JHADRP CN(C)CC[NH+]1CCC(Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001314671325 1070814018 /nfs/dbraw/zinc/81/40/18/1070814018.db2.gz UMGGTGYYHQQASN-UHFFFAOYSA-N 2 0 487.762 3.515 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001313656902 1070852706 /nfs/dbraw/zinc/85/27/06/1070852706.db2.gz MIQKHVPJAZFGKJ-GOSISDBHSA-N 2 0 475.479 3.970 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001313656903 1070852774 /nfs/dbraw/zinc/85/27/74/1070852774.db2.gz MIQKHVPJAZFGKJ-SFHVURJKSA-N 2 0 475.479 3.970 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001313656808 1070852999 /nfs/dbraw/zinc/85/29/99/1070852999.db2.gz LVEXHXJMDVULBN-FCHUYYIVSA-N 2 0 479.673 3.689 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC001313664059 1070874858 /nfs/dbraw/zinc/87/48/58/1070874858.db2.gz KKVGPWKBOYZWDG-OAQYLSRUSA-N 2 0 496.685 3.600 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001313666129 1070882228 /nfs/dbraw/zinc/88/22/28/1070882228.db2.gz HFLWQIIQJFHPEV-OAQYLSRUSA-N 2 0 489.108 3.801 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001313694241 1070956608 /nfs/dbraw/zinc/95/66/08/1070956608.db2.gz SMNSOZBJXGXDAU-NRFANRHFSA-N 2 0 471.675 3.840 20 0 JHADRP CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC001313702019 1070982070 /nfs/dbraw/zinc/98/20/70/1070982070.db2.gz FRIXQLJUYUDISL-URXFXBBRSA-N 2 0 454.663 3.940 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001313710776 1071004941 /nfs/dbraw/zinc/00/49/41/1071004941.db2.gz HMYWQANIBCTNPH-OAQYLSRUSA-N 2 0 475.081 3.879 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313713759 1071010969 /nfs/dbraw/zinc/01/09/69/1071010969.db2.gz UFVUHGPKSGUXPR-LADGPHEKSA-N 2 0 453.679 3.552 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001313714411 1071012168 /nfs/dbraw/zinc/01/21/68/1071012168.db2.gz YNLSSEPEHGDTII-OAQYLSRUSA-N 2 0 459.708 3.534 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001313714766 1071013279 /nfs/dbraw/zinc/01/32/79/1071013279.db2.gz QSMMUSNVUYRNDK-HSZRJFAPSA-N 2 0 454.663 3.534 20 0 JHADRP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC001309928964 1071020071 /nfs/dbraw/zinc/02/00/71/1071020071.db2.gz LJIGWRVADCTVIX-KKUQBAQOSA-N 2 0 457.684 3.859 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001313725956 1071034202 /nfs/dbraw/zinc/03/42/02/1071034202.db2.gz VTPOKIWSDNIBME-IRLDBZIGSA-N 2 0 460.692 3.676 20 0 JHADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)c(C)c2)CC1 ZINC001310018998 1071063941 /nfs/dbraw/zinc/06/39/41/1071063941.db2.gz JCCIZPGTFYTWBX-OAQYLSRUSA-N 2 0 450.631 3.879 20 0 JHADRP CCN(CC)C(=O)c1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1Cl ZINC001310028902 1071071907 /nfs/dbraw/zinc/07/19/07/1071071907.db2.gz ZFRXEHUGNWWQLQ-LJQANCHMSA-N 2 0 452.043 3.702 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1)C(C)C ZINC001313802298 1071207955 /nfs/dbraw/zinc/20/79/55/1071207955.db2.gz DISCVMVAURCJQA-OAQYLSRUSA-N 2 0 454.663 3.995 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1)C(C)C ZINC001313805842 1071221355 /nfs/dbraw/zinc/22/13/55/1071221355.db2.gz UFUMQGVBTRNJIN-SFHVURJKSA-N 2 0 463.468 3.968 20 0 JHADRP CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)CCC(F)(F)F ZINC001313810157 1071240086 /nfs/dbraw/zinc/24/00/86/1071240086.db2.gz LNRBBCAVRKNXBV-LJQANCHMSA-N 2 0 467.584 3.623 20 0 JHADRP CC[N@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313814174 1071256820 /nfs/dbraw/zinc/25/68/20/1071256820.db2.gz ISXNCQQOIYEXOW-FQEVSTJZSA-N 2 0 486.627 3.901 20 0 JHADRP CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313814175 1071256940 /nfs/dbraw/zinc/25/69/40/1071256940.db2.gz ISXNCQQOIYEXOW-HXUWFJFHSA-N 2 0 486.627 3.901 20 0 JHADRP CC[N@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1)C(C)C ZINC001313820150 1071276314 /nfs/dbraw/zinc/27/63/14/1071276314.db2.gz KKDXJFFOHRGNAJ-UHFFFAOYSA-N 2 0 461.054 3.915 20 0 JHADRP CC[N@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001313820220 1071277159 /nfs/dbraw/zinc/27/71/59/1071277159.db2.gz MMRQXUKCBFCDAR-UHFFFAOYSA-N 2 0 461.054 3.915 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001313859282 1071362886 /nfs/dbraw/zinc/36/28/86/1071362886.db2.gz FJVUWKLXVHMUBQ-AABGKKOBSA-N 2 0 458.626 3.960 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001313859285 1071363724 /nfs/dbraw/zinc/36/37/24/1071363724.db2.gz FJVUWKLXVHMUBQ-UFYCRDLUSA-N 2 0 458.626 3.960 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001313860250 1071368763 /nfs/dbraw/zinc/36/87/63/1071368763.db2.gz NBFLVXHJUXSLQB-YADHBBJMSA-N 2 0 481.689 3.941 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313864531 1071387379 /nfs/dbraw/zinc/38/73/79/1071387379.db2.gz YQXYDKNKIBIFDC-JYRKZWEQSA-N 2 0 458.651 3.653 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313865365 1071392044 /nfs/dbraw/zinc/39/20/44/1071392044.db2.gz ANMCFSZUMHVXBL-SBFWRKJZSA-N 2 0 482.717 3.870 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313868283 1071403234 /nfs/dbraw/zinc/40/32/34/1071403234.db2.gz NJBSCPSEGAZTHK-ACRUOGEOSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313871444 1071416871 /nfs/dbraw/zinc/41/68/71/1071416871.db2.gz ZIDXGSRFRRVIAE-FGZHOGPDSA-N 2 0 470.731 3.810 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001313870439 1071413311 /nfs/dbraw/zinc/41/33/11/1071413311.db2.gz RRYGOFPZWYZJBQ-VQTJNVASSA-N 2 0 461.054 3.630 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H]1C ZINC001313872198 1071419937 /nfs/dbraw/zinc/41/99/37/1071419937.db2.gz VIMFOUDEZFPDJW-GOTSBHOMSA-N 2 0 460.711 3.678 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313874336 1071427881 /nfs/dbraw/zinc/42/78/81/1071427881.db2.gz NNQDTGTYTKOACI-XZOQPEGZSA-N 2 0 453.679 3.839 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313878928 1071446874 /nfs/dbraw/zinc/44/68/74/1071446874.db2.gz WITVUJXYGZWPCK-BJKOFHAPSA-N 2 0 498.716 3.628 20 0 JHADRP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313878932 1071446966 /nfs/dbraw/zinc/44/69/66/1071446966.db2.gz WJRKWEWSSMWYHV-BHIFYINESA-N 2 0 470.662 3.659 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313879201 1071448574 /nfs/dbraw/zinc/44/85/74/1071448574.db2.gz ZCKCVVFXYMNEKD-VJBWXMMDSA-N 2 0 484.689 3.905 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313886351 1071470844 /nfs/dbraw/zinc/47/08/44/1071470844.db2.gz SDDBZHKJBWINMZ-VXKWHMMOSA-N 2 0 470.662 3.517 20 0 JHADRP CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313913626 1071543692 /nfs/dbraw/zinc/54/36/92/1071543692.db2.gz KWECLFQSBCPNAA-YTFSRNRJSA-N 2 0 460.711 3.992 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001313932607 1071595654 /nfs/dbraw/zinc/59/56/54/1071595654.db2.gz IMTDDOGDFPRTLC-PGRDOPGGSA-N 2 0 454.644 3.849 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313941292 1071616214 /nfs/dbraw/zinc/61/62/14/1071616214.db2.gz BAASIBOIMQYKHR-QHCPKHFHSA-N 2 0 454.663 3.736 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001313942772 1071621358 /nfs/dbraw/zinc/62/13/58/1071621358.db2.gz NOPWSVQCNFAUFM-ISKFKSNPSA-N 2 0 498.716 3.532 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001313946807 1071629907 /nfs/dbraw/zinc/62/99/07/1071629907.db2.gz CDOZXEJCPAJYPE-GOTSBHOMSA-N 2 0 484.689 3.764 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCC[C@H]2C)C[C@@H]1C ZINC001313948933 1071634501 /nfs/dbraw/zinc/63/45/01/1071634501.db2.gz MHIQFLWFTIFIJA-UXHICEINSA-N 2 0 458.676 3.594 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951302 1071641623 /nfs/dbraw/zinc/64/16/23/1071641623.db2.gz FJCJXNKNSKDOMR-RSXGOPAZSA-N 2 0 495.760 3.808 20 0 JHADRP CCc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001305943816 1068256462 /nfs/dbraw/zinc/25/64/62/1068256462.db2.gz DXIZQRNRCLTRIL-OAQYLSRUSA-N 2 0 468.690 3.785 20 0 JHADRP CCc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305945871 1068259570 /nfs/dbraw/zinc/25/95/70/1068259570.db2.gz WNCCVNHXJMODKV-YADHBBJMSA-N 2 0 468.690 3.927 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001305985364 1068334694 /nfs/dbraw/zinc/33/46/94/1068334694.db2.gz NKKGZKDKCJHZLL-JOCHJYFZSA-N 2 0 454.663 3.824 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306402490 1068864276 /nfs/dbraw/zinc/86/42/76/1068864276.db2.gz BAGSXNCGRXDYHZ-PKTZIBPZSA-N 2 0 484.620 3.836 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306423976 1068917940 /nfs/dbraw/zinc/91/79/40/1068917940.db2.gz NAVVZQLXWDQCPP-AOHZBQACSA-N 2 0 483.705 3.564 20 0 JHADRP CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306427383 1068922863 /nfs/dbraw/zinc/92/28/63/1068922863.db2.gz PNFVKALOOGRTAS-DSNGMDLFSA-N 2 0 484.689 3.678 20 0 JHADRP Cc1c(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cnn1-c1ccc(F)cc1 ZINC001310965785 1069235543 /nfs/dbraw/zinc/23/55/43/1069235543.db2.gz UMGOQJVEIIADPJ-UHFFFAOYSA-N 2 0 456.610 3.980 20 0 JHADRP Clc1ncc2c(c1N1CCO[C@H]3C[NH2+]CC[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164406982 718863532 /nfs/dbraw/zinc/86/35/32/718863532.db2.gz IDDLNDJOVFADDX-REWPJTCUSA-N 2 0 469.029 3.571 20 0 JHADRP [NH3+]C1([C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@@H]2CF)CC1 ZINC001164622506 719121343 /nfs/dbraw/zinc/12/13/43/719121343.db2.gz PELSCDHPWCSLBQ-AZUAARDMSA-N 2 0 485.003 3.910 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c2)CC1 ZINC001164679146 719530536 /nfs/dbraw/zinc/53/05/36/719530536.db2.gz ULHGYLMGZSVHDK-UHFFFAOYSA-N 2 0 454.590 3.565 20 0 JHADRP CC(C)Oc1cc[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164684444 719671207 /nfs/dbraw/zinc/67/12/07/719671207.db2.gz UEHYCZFDYNCKEX-OAQYLSRUSA-N 2 0 450.627 3.962 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831169 720351014 /nfs/dbraw/zinc/35/10/14/720351014.db2.gz XXPIADCGGMLPBC-UBFVSLLYSA-N 2 0 453.675 3.930 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@]4(CC(C(=O)Nc5cccc(Cl)c5)=NO4)C3)c2)CC1 ZINC001164798760 721605743 /nfs/dbraw/zinc/60/57/43/721605743.db2.gz IBEFKMRXZDDUIP-RUZDIDTESA-N 2 0 484.000 3.962 20 0 JHADRP CCOC(=O)c1c[nH]c2cc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)[nH+]cc21 ZINC001165022690 721843069 /nfs/dbraw/zinc/84/30/69/721843069.db2.gz SEKNBEALRJKIRY-UHFFFAOYSA-N 2 0 452.555 3.858 20 0 JHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973127 722158321 /nfs/dbraw/zinc/15/83/21/722158321.db2.gz LHIPJFNMJZWIRM-OFNKIYASSA-N 2 0 489.998 3.779 20 0 JHADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001311345949 1069332735 /nfs/dbraw/zinc/33/27/35/1069332735.db2.gz ZSXBMGJXEPVRNT-UHFFFAOYSA-N 2 0 455.691 3.634 20 0 JHADRP COc1ccc([C@@H](CNC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC001311350616 1069337326 /nfs/dbraw/zinc/33/73/26/1069337326.db2.gz WKDKCAUAIICQNN-ATIYNZHBSA-N 2 0 454.615 3.518 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC001311358859 1069342528 /nfs/dbraw/zinc/34/25/28/1069342528.db2.gz UNZCPMKMCCWJBT-UHFFFAOYSA-N 2 0 455.691 3.622 20 0 JHADRP CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306654678 1069366528 /nfs/dbraw/zinc/36/65/28/1069366528.db2.gz QZSYSNWBMLCQDB-DNQXCXABSA-N 2 0 467.706 3.752 20 0 JHADRP CCCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001306676298 1069401019 /nfs/dbraw/zinc/40/10/19/1069401019.db2.gz GXHICPZVNVNPBG-RUZDIDTESA-N 2 0 481.733 4.000 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCCCCC2)CC1 ZINC001306678149 1069402682 /nfs/dbraw/zinc/40/26/82/1069402682.db2.gz IKHRIYGBOYNLFO-UHFFFAOYSA-N 2 0 456.683 3.503 20 0 JHADRP CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001306680578 1069407825 /nfs/dbraw/zinc/40/78/25/1069407825.db2.gz QIPQJEYJHOYSKN-XMMPIXPASA-N 2 0 481.689 3.944 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306683503 1069417330 /nfs/dbraw/zinc/41/73/30/1069417330.db2.gz VWDCQFIJVFIUGP-QFIPXVFZSA-N 2 0 488.124 3.935 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001306685153 1069420699 /nfs/dbraw/zinc/42/06/99/1069420699.db2.gz WLQCZYJEQQOPKF-FQEVSTJZSA-N 2 0 451.619 3.862 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001306722388 1069460339 /nfs/dbraw/zinc/46/03/39/1069460339.db2.gz KETJUBVDNMYOEH-XMMPIXPASA-N 2 0 487.737 3.773 20 0 JHADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCC(C)CC3)CC2)CC1 ZINC001311654066 1069490242 /nfs/dbraw/zinc/49/02/42/1069490242.db2.gz MCHVAJSMMRWSTE-AREMUKBSSA-N 2 0 455.691 3.660 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306786292 1069588543 /nfs/dbraw/zinc/58/85/43/1069588543.db2.gz UNTGMTXPHWAZJA-NRFANRHFSA-N 2 0 486.730 3.949 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306786894 1069590431 /nfs/dbraw/zinc/59/04/31/1069590431.db2.gz YWJMRSCORMKRFN-NRFANRHFSA-N 2 0 486.730 3.949 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001306787395 1069591014 /nfs/dbraw/zinc/59/10/14/1069591014.db2.gz CJKJABPWDHERRY-GPXNEJASSA-N 2 0 453.679 3.552 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001306789411 1069595286 /nfs/dbraw/zinc/59/52/86/1069595286.db2.gz PDNDKULILXLPPA-HSZRJFAPSA-N 2 0 470.710 3.572 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001306802007 1069607553 /nfs/dbraw/zinc/60/75/53/1069607553.db2.gz DXPLKFMCBJKDOU-UHFFFAOYSA-N 2 0 463.468 3.970 20 0 JHADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC001311966218 1069641210 /nfs/dbraw/zinc/64/12/10/1069641210.db2.gz YNHSJBZJRKHPHR-ILBGXUMGSA-N 2 0 456.675 3.920 20 0 JHADRP COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC001312024939 1069678274 /nfs/dbraw/zinc/67/82/74/1069678274.db2.gz SJMXWHGFYZSGBR-SLQPCKNISA-N 2 0 466.670 3.977 20 0 JHADRP CC(C)[C@@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001312176977 1069766759 /nfs/dbraw/zinc/76/67/59/1069766759.db2.gz DVCSKAXPTCWJGU-VWLOTQADSA-N 2 0 456.675 3.821 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)C)CC2)C1 ZINC001307046195 1069784713 /nfs/dbraw/zinc/78/47/13/1069784713.db2.gz PFLWSAOIMAZIDJ-HXUWFJFHSA-N 2 0 461.054 3.773 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)CC)n2Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001307050364 1069800198 /nfs/dbraw/zinc/80/01/98/1069800198.db2.gz RCMJLBGGXNETTJ-BWKNWUBXSA-N 2 0 468.690 3.717 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001307051872 1069805806 /nfs/dbraw/zinc/80/58/06/1069805806.db2.gz UUWJJOIDRWVWPY-UHFFFAOYSA-N 2 0 498.716 3.895 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001307056280 1069826124 /nfs/dbraw/zinc/82/61/24/1069826124.db2.gz SBUUBIKNHRFFKW-FUDKSRODSA-N 2 0 476.710 3.718 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307056281 1069826452 /nfs/dbraw/zinc/82/64/52/1069826452.db2.gz SBUUBIKNHRFFKW-FUPPJEDESA-N 2 0 476.710 3.718 20 0 JHADRP CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001314225916 1069892960 /nfs/dbraw/zinc/89/29/60/1069892960.db2.gz QGGJEUUTTIJUBN-OAQYLSRUSA-N 2 0 470.662 3.661 20 0 JHADRP CCC[N@H+](C)[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674999 1070075433 /nfs/dbraw/zinc/07/54/33/1070075433.db2.gz NJCYVSUYJWUUEX-PKTZIBPZSA-N 2 0 450.071 3.533 20 0 JHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)c3ccc(OC(C)C)c(OC)c3)cc2)CC1 ZINC001307629146 1070088903 /nfs/dbraw/zinc/08/89/03/1070088903.db2.gz BECLBRXFVWXZCA-FQEVSTJZSA-N 2 0 454.615 3.914 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001312767936 1070112075 /nfs/dbraw/zinc/11/20/75/1070112075.db2.gz MGQAQQVLTBZSLX-SBZWWDHJSA-N 3 0 455.691 3.630 20 0 JHADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001312838616 1070148181 /nfs/dbraw/zinc/14/81/81/1070148181.db2.gz GSFDXHLADYDRBO-LOSJGSFVSA-N 2 0 468.617 3.546 20 0 JHADRP O=C1[C@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001307776387 1070178629 /nfs/dbraw/zinc/17/86/29/1070178629.db2.gz SWHGGXVXCZTIKT-JOCHJYFZSA-N 2 0 453.549 3.631 20 0 JHADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCCN3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC001307886583 1070225889 /nfs/dbraw/zinc/22/58/89/1070225889.db2.gz WQBCYLPQXCSSPL-PLQXJYEYSA-N 2 0 450.671 3.940 20 0 JHADRP COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC001307918354 1070239932 /nfs/dbraw/zinc/23/99/32/1070239932.db2.gz DFQGEJNBOMTIOK-DQEYMECFSA-N 2 0 474.690 3.794 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314399869 1070261121 /nfs/dbraw/zinc/26/11/21/1070261121.db2.gz HGFKPGTXTCFGGA-GOTSBHOMSA-N 2 0 454.663 3.566 20 0 JHADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)CC1 ZINC001308121680 1070321213 /nfs/dbraw/zinc/32/12/13/1070321213.db2.gz QMOQGOJUHZLDEF-UHFFFAOYSA-N 2 0 458.691 3.961 20 0 JHADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001308440821 1070376357 /nfs/dbraw/zinc/37/63/57/1070376357.db2.gz XBPSMSFCYCMYLC-ATIYNZHBSA-N 2 0 457.062 3.719 20 0 JHADRP COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC001308613336 1070401627 /nfs/dbraw/zinc/40/16/27/1070401627.db2.gz GJLBGADNTNZHJW-UHFFFAOYSA-N 2 0 455.599 3.649 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1CC ZINC001314496109 1070416173 /nfs/dbraw/zinc/41/61/73/1070416173.db2.gz NFRFFRZJYWHDTM-NVQXNPDNSA-N 2 0 486.730 3.628 20 0 JHADRP C[NH+](C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC001314649843 1070757417 /nfs/dbraw/zinc/75/74/17/1070757417.db2.gz DYHWZEQLFSMNRF-XZOQPEGZSA-N 2 0 460.711 3.993 20 0 JHADRP C[NH+](C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC001314649842 1070757550 /nfs/dbraw/zinc/75/75/50/1070757550.db2.gz DYHWZEQLFSMNRF-PKTZIBPZSA-N 2 0 460.711 3.993 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313656231 1070848936 /nfs/dbraw/zinc/84/89/36/1070848936.db2.gz HLKFGKIRNZWJBH-AZUAARDMSA-N 2 0 462.589 3.951 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001313656568 1070851468 /nfs/dbraw/zinc/85/14/68/1070851468.db2.gz JWPKETBRACKYCA-RTWAWAEBSA-N 2 0 488.652 3.589 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001313659495 1070863167 /nfs/dbraw/zinc/86/31/67/1070863167.db2.gz IHOGDRDKCITIKJ-UMXIMWEHSA-N 2 0 478.689 3.928 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313661317 1070867644 /nfs/dbraw/zinc/86/76/44/1070867644.db2.gz DMJLEOFTKHOYPQ-NRFANRHFSA-N 2 0 456.683 3.501 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313669837 1070895587 /nfs/dbraw/zinc/89/55/87/1070895587.db2.gz DQUMOUCDAFRJJQ-NJDAHSKKSA-N 2 0 451.663 3.999 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676776 1070922671 /nfs/dbraw/zinc/92/26/71/1070922671.db2.gz ZJRQPECLVCLYBJ-DEOSSOPVSA-N 2 0 468.690 3.960 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001313694173 1070955929 /nfs/dbraw/zinc/95/59/29/1070955929.db2.gz PRTQMWQGABCMGR-QHCPKHFHSA-N 2 0 453.679 3.695 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313694663 1070956638 /nfs/dbraw/zinc/95/66/38/1070956638.db2.gz HPQIKMUYTHSJOT-XPWALMASSA-N 2 0 460.711 3.851 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001313696896 1070964378 /nfs/dbraw/zinc/96/43/78/1070964378.db2.gz YVOSDGNNZTZSCT-UHFFFAOYSA-N 2 0 458.626 3.506 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001313696805 1070964494 /nfs/dbraw/zinc/96/44/94/1070964494.db2.gz JKEQEJSKPMPDIT-UHFFFAOYSA-N 2 0 470.710 3.572 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001313695539 1070960791 /nfs/dbraw/zinc/96/07/91/1070960791.db2.gz BEDPSHYSQNEASO-UHFFFAOYSA-N 2 0 460.692 3.985 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001313697426 1070966351 /nfs/dbraw/zinc/96/63/51/1070966351.db2.gz OJDAQLKRLUPMIV-BJKOFHAPSA-N 2 0 470.662 3.752 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001313697427 1070967044 /nfs/dbraw/zinc/96/70/44/1070967044.db2.gz OJDAQLKRLUPMIV-DNQXCXABSA-N 2 0 470.662 3.752 20 0 JHADRP CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001313718435 1071018727 /nfs/dbraw/zinc/01/87/27/1071018727.db2.gz JKGGVFRNJXHHHR-RPWUZVMVSA-N 2 0 460.711 3.996 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001313721342 1071023826 /nfs/dbraw/zinc/02/38/26/1071023826.db2.gz KIKSHIUGMWCWLW-DLBZAZTESA-N 2 0 499.523 3.656 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313721493 1071024595 /nfs/dbraw/zinc/02/45/95/1071024595.db2.gz DRUYPOSQUPPQLJ-HXUWFJFHSA-N 2 0 470.662 3.962 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC)[C@H](C)C1)C(C)C ZINC001313805841 1071221228 /nfs/dbraw/zinc/22/12/28/1071221228.db2.gz UFUMQGVBTRNJIN-GOSISDBHSA-N 2 0 463.468 3.968 20 0 JHADRP CC[N@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001313820490 1071278197 /nfs/dbraw/zinc/27/81/97/1071278197.db2.gz WWLAGGMBSQJLRT-JWQCQUIFSA-N 2 0 481.733 3.855 20 0 JHADRP CC[N@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCC2)CC1)C(C)C ZINC001313820149 1071276239 /nfs/dbraw/zinc/27/62/39/1071276239.db2.gz KISNNKOKDPSMSP-UHFFFAOYSA-N 2 0 454.663 3.879 20 0 JHADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCCCC1 ZINC001314893418 1071324739 /nfs/dbraw/zinc/32/47/39/1071324739.db2.gz QPYAQIZHLMEOOT-JTHBVZDNSA-N 2 0 470.710 3.704 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C)CCOC)C[C@H]1C ZINC001313858239 1071358086 /nfs/dbraw/zinc/35/80/86/1071358086.db2.gz ABCGMIDNUJDIMM-WOJBJXKFSA-N 2 0 454.619 3.579 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313858019 1071357137 /nfs/dbraw/zinc/35/71/37/1071357137.db2.gz FBPHXQCVBFBTSJ-OIBXWCBGSA-N 2 0 481.689 3.798 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001313859283 1071363029 /nfs/dbraw/zinc/36/30/29/1071363029.db2.gz FJVUWKLXVHMUBQ-HSALFYBXSA-N 2 0 458.626 3.960 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001313868813 1071403387 /nfs/dbraw/zinc/40/33/87/1071403387.db2.gz BEJKYRLKEWWNOR-RTWAWAEBSA-N 2 0 486.680 3.816 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313869252 1071408307 /nfs/dbraw/zinc/40/83/07/1071408307.db2.gz OZMIZEATOHFJLS-URYYLNOGSA-N 2 0 460.711 3.849 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001313871118 1071415859 /nfs/dbraw/zinc/41/58/59/1071415859.db2.gz XBBKREYABZDSPE-IEGUWTFLSA-N 2 0 485.677 3.995 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313871797 1071418221 /nfs/dbraw/zinc/41/82/21/1071418221.db2.gz HNXWSSFPTGETSG-FUPPJEDESA-N 2 0 456.679 3.773 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001313871920 1071419050 /nfs/dbraw/zinc/41/90/50/1071419050.db2.gz VPAYEOCBYUVXJM-VQTJNVASSA-N 2 0 470.662 3.756 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001313871918 1071419160 /nfs/dbraw/zinc/41/91/60/1071419160.db2.gz VPAYEOCBYUVXJM-PMACEKPBSA-N 2 0 470.662 3.756 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313874505 1071428895 /nfs/dbraw/zinc/42/88/95/1071428895.db2.gz IHLCEZHFNMUAIF-PMOQBDJRSA-N 2 0 470.710 3.569 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874838 1071428941 /nfs/dbraw/zinc/42/89/41/1071428941.db2.gz OFRNEIQPUDGUOO-VABKMULXSA-N 2 0 461.658 3.703 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313874854 1071431511 /nfs/dbraw/zinc/43/15/11/1071431511.db2.gz QRMQLSTWYDEFHU-OALUTQOASA-N 2 0 461.054 3.628 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001313891328 1071485339 /nfs/dbraw/zinc/48/53/39/1071485339.db2.gz UZGJFZZSEZVWOZ-QFIPXVFZSA-N 2 0 454.663 3.818 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001313900147 1071508606 /nfs/dbraw/zinc/50/86/06/1071508606.db2.gz NGFYWKYVTDZKPF-HSZRJFAPSA-N 2 0 460.711 3.680 20 0 JHADRP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313908847 1071530811 /nfs/dbraw/zinc/53/08/11/1071530811.db2.gz PGVMPFSFPQFWAE-FQEVSTJZSA-N 2 0 470.662 3.757 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313933699 1071599092 /nfs/dbraw/zinc/59/90/92/1071599092.db2.gz MOMLYNBESMYYBD-KRWDZBQOSA-N 2 0 478.483 3.831 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313934212 1071601570 /nfs/dbraw/zinc/60/15/70/1071601570.db2.gz QNJWAUQIKHSZAV-ZWKOTPCHSA-N 2 0 478.483 3.831 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313936454 1071607975 /nfs/dbraw/zinc/60/79/75/1071607975.db2.gz OECFKZJEEVIPAY-QUCCMNQESA-N 2 0 479.044 3.625 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313936455 1071608455 /nfs/dbraw/zinc/60/84/55/1071608455.db2.gz OECFKZJEEVIPAY-UYAOXDASSA-N 2 0 479.044 3.625 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941391 1071616891 /nfs/dbraw/zinc/61/68/91/1071616891.db2.gz CGRJLQZWZRYUEE-VABKMULXSA-N 2 0 484.689 3.584 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941393 1071617010 /nfs/dbraw/zinc/61/70/10/1071617010.db2.gz CGRJLQZWZRYUEE-ZLNRFVROSA-N 2 0 484.689 3.584 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001313948590 1071634005 /nfs/dbraw/zinc/63/40/05/1071634005.db2.gz LRICYCNZMBNJSA-IBGZPJMESA-N 2 0 458.676 3.594 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313949765 1071637032 /nfs/dbraw/zinc/63/70/32/1071637032.db2.gz RPEXABHANOJWRD-FCHUYYIVSA-N 2 0 470.662 3.518 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001313951165 1071641187 /nfs/dbraw/zinc/64/11/87/1071641187.db2.gz ZEANPJHJYVSSFM-XMMPIXPASA-N 2 0 481.733 3.776 20 0 JHADRP CCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001306208101 1068599146 /nfs/dbraw/zinc/59/91/46/1068599146.db2.gz VEHGTXFNKMXZCY-XMMPIXPASA-N 2 0 452.691 3.963 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC2([NH+](C)C)CCCCC2)CC[N@@H+]1CCOC ZINC001306399999 1068856849 /nfs/dbraw/zinc/85/68/49/1068856849.db2.gz GYVOIECHBQECGY-QHCPKHFHSA-N 2 0 484.689 3.765 20 0 JHADRP CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306439969 1068946566 /nfs/dbraw/zinc/94/65/66/1068946566.db2.gz CEVKBEGPTMGWKH-ARNLJNQMSA-N 2 0 497.732 3.567 20 0 JHADRP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306447699 1068962017 /nfs/dbraw/zinc/96/20/17/1068962017.db2.gz VNDKURVCJZDNGV-WPFOTENUSA-N 2 0 460.711 3.678 20 0 JHADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164616486 719011794 /nfs/dbraw/zinc/01/17/94/719011794.db2.gz KTFWPCMRZOUOIH-YKSBVNFPSA-N 2 0 495.014 3.806 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1 ZINC001164826241 720323951 /nfs/dbraw/zinc/32/39/51/720323951.db2.gz FZWRUFDVRCJIBM-FTJBHMTQSA-N 2 0 457.622 3.996 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001164821377 720355992 /nfs/dbraw/zinc/35/59/92/720355992.db2.gz ADDDLJJQKRLVGF-VXKWHMMOSA-N 2 0 494.030 3.568 20 0 JHADRP Clc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c(n1)C[NH2+]CC2 ZINC001164755003 720905708 /nfs/dbraw/zinc/90/57/08/720905708.db2.gz XSXLKROCEWDVAR-RLWLMLJZSA-N 2 0 468.045 3.531 20 0 JHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866723 721195570 /nfs/dbraw/zinc/19/55/70/721195570.db2.gz CHJHCRVCZHDANG-NHCUHLMSSA-N 2 0 475.971 3.531 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)cc2)CC1 ZINC001311357196 1069340805 /nfs/dbraw/zinc/34/08/05/1069340805.db2.gz CSPABSTYNJSOTF-UHFFFAOYSA-N 2 0 455.691 3.622 20 0 JHADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC001311379587 1069353326 /nfs/dbraw/zinc/35/33/26/1069353326.db2.gz DGGRXBRHOZORLW-RPWUZVMVSA-N 2 0 455.691 3.849 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC ZINC001306652771 1069363737 /nfs/dbraw/zinc/36/37/37/1069363737.db2.gz YDYXMXZCUIOMCQ-BJKOFHAPSA-N 2 0 454.663 3.757 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306681033 1069408606 /nfs/dbraw/zinc/40/86/06/1069408606.db2.gz HBAYJBHRQLQWBC-DEOSSOPVSA-N 2 0 488.124 3.935 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001306681227 1069409928 /nfs/dbraw/zinc/40/99/28/1069409928.db2.gz UIIBZNRQGZPLRZ-JOCHJYFZSA-N 2 0 461.743 3.550 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001306681242 1069409987 /nfs/dbraw/zinc/40/99/87/1069409987.db2.gz UNMQJXKANNCTRL-GOTSBHOMSA-N 2 0 487.737 3.583 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001306682739 1069413808 /nfs/dbraw/zinc/41/38/08/1069413808.db2.gz KGINJHDJYPBSPQ-FQEVSTJZSA-N 2 0 458.626 3.506 20 0 JHADRP CCCC[N@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001306686272 1069422559 /nfs/dbraw/zinc/42/25/59/1069422559.db2.gz CQKTWBIDZBEGQR-PZJWPPBQSA-N 2 0 461.054 3.915 20 0 JHADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC001311536533 1069429078 /nfs/dbraw/zinc/42/90/78/1069429078.db2.gz WWLCEBCNGYCVLT-YADHBBJMSA-N 2 0 450.693 3.957 20 0 JHADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001311956041 1069634687 /nfs/dbraw/zinc/63/46/87/1069634687.db2.gz FXHQKLXSOQIUPC-DHLKQENFSA-N 2 0 450.627 3.729 20 0 JHADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC001311966219 1069641163 /nfs/dbraw/zinc/64/11/63/1069641163.db2.gz YNHSJBZJRKHPHR-NOZRDPDXSA-N 2 0 456.675 3.920 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001307040645 1069766987 /nfs/dbraw/zinc/76/69/87/1069766987.db2.gz PENJYPOCXASCGW-NRFANRHFSA-N 2 0 473.735 3.924 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001307041836 1069769943 /nfs/dbraw/zinc/76/99/43/1069769943.db2.gz VBPJOLTWSMKQJM-NRFANRHFSA-N 2 0 454.663 3.530 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001307047987 1069792100 /nfs/dbraw/zinc/79/21/00/1069792100.db2.gz IUJMIDDXZZGIDF-HSZRJFAPSA-N 2 0 453.679 3.839 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC001312232801 1069797293 /nfs/dbraw/zinc/79/72/93/1069797293.db2.gz ZTEBAWIPYQARLU-FUHWJXTLSA-N 2 0 457.432 3.577 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001307058355 1069839517 /nfs/dbraw/zinc/83/95/17/1069839517.db2.gz ZTJDFGCDKRYCNP-JOCHJYFZSA-N 2 0 458.651 3.658 20 0 JHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC001312322081 1069862900 /nfs/dbraw/zinc/86/29/00/1069862900.db2.gz VXXMDAWFABHAEG-APWZRJJASA-N 2 0 457.432 3.577 20 0 JHADRP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC001312500283 1069975527 /nfs/dbraw/zinc/97/55/27/1069975527.db2.gz OTBVIVXBZYJCAB-RSXGOPAZSA-N 2 0 458.691 3.862 20 0 JHADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCCCC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001313138481 1070266621 /nfs/dbraw/zinc/26/66/21/1070266621.db2.gz JFAYUYSUDQOYHL-VWLOTQADSA-N 2 0 455.691 3.631 20 0 JHADRP C[NH+](C)C[C@@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001313263599 1070309730 /nfs/dbraw/zinc/30/97/30/1070309730.db2.gz SMQJLXYNSWKLJL-HSZRJFAPSA-N 2 0 459.034 3.923 20 0 JHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC001308226463 1070343348 /nfs/dbraw/zinc/34/33/48/1070343348.db2.gz SUHZTIYLPMFUGZ-NRFANRHFSA-N 2 0 451.533 3.767 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001313447117 1070364950 /nfs/dbraw/zinc/36/49/50/1070364950.db2.gz IVMWYVXXIZHHAN-URVUXULASA-N 2 0 470.662 3.756 20 0 JHADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(N4CCC[C@H](C(=O)OC(C)(C)C)C4)o3)c2)CC1 ZINC001308486894 1070381335 /nfs/dbraw/zinc/38/13/35/1070381335.db2.gz BQLBRXDRNLBWIR-IBGZPJMESA-N 2 0 455.603 3.597 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[NH+]2CC)C[C@H]1CC ZINC001314495586 1070414389 /nfs/dbraw/zinc/41/43/89/1070414389.db2.gz IRTPHVYCXCAXBD-RPWUZVMVSA-N 2 0 454.663 3.757 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[NH+]2CC)C[C@H]1CC ZINC001314495585 1070414600 /nfs/dbraw/zinc/41/46/00/1070414600.db2.gz IRTPHVYCXCAXBD-DNQXCXABSA-N 2 0 454.663 3.757 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccco1 ZINC001314648846 1070753817 /nfs/dbraw/zinc/75/38/17/1070753817.db2.gz JIXMYVIZXOIRLQ-NRFANRHFSA-N 2 0 451.619 3.794 20 0 JHADRP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC001309415726 1070755839 /nfs/dbraw/zinc/75/58/39/1070755839.db2.gz BXGTVRVBDKEPGO-LOSJGSFVSA-N 2 0 455.668 3.709 20 0 JHADRP C[NH+](C)C1(Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCCC1 ZINC001314659094 1070780373 /nfs/dbraw/zinc/78/03/73/1070780373.db2.gz KWEHEWUBKISTAS-UHFFFAOYSA-N 2 0 453.679 3.697 20 0 JHADRP C[NH+](C)CC(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001314666881 1070800082 /nfs/dbraw/zinc/80/00/82/1070800082.db2.gz ZTUOIJPKYIFROC-UHFFFAOYSA-N 2 0 461.054 3.630 20 0 JHADRP C[NH+](C)CCOc1cccc(Cn2c(N3CC[NH+](C4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001314668305 1070803884 /nfs/dbraw/zinc/80/38/84/1070803884.db2.gz FAUYOFPYSJYTRJ-UHFFFAOYSA-N 2 0 454.663 3.629 20 0 JHADRP C[NH+](C)CCOc1ccc(CCn2c(N3CCC[C@@H]([NH+]4CCCC4)C3)nnc2C(C)(C)C)cc1 ZINC001314671498 1070814893 /nfs/dbraw/zinc/81/48/93/1070814893.db2.gz LJJVGLFCEXSAQJ-HSZRJFAPSA-N 2 0 468.690 3.823 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC001313665186 1070879334 /nfs/dbraw/zinc/87/93/34/1070879334.db2.gz PVZXCZAYDDEXSS-RPWUZVMVSA-N 2 0 481.689 3.564 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001313668685 1070893125 /nfs/dbraw/zinc/89/31/25/1070893125.db2.gz RTHHQPDIIKNNQR-DNQXCXABSA-N 2 0 498.716 3.894 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313669998 1070896355 /nfs/dbraw/zinc/89/63/55/1070896355.db2.gz XPYQBIDISYJPCW-BKMJKUGQSA-N 2 0 476.710 3.504 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001313671831 1070900850 /nfs/dbraw/zinc/90/08/50/1070900850.db2.gz SXFUZDXJHRUFMZ-ILBGXUMGSA-N 2 0 467.706 3.943 20 0 JHADRP CN(CC(F)(F)F)c1nnc(-c2ccccc2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001314718778 1070910898 /nfs/dbraw/zinc/91/08/98/1070910898.db2.gz HILLHUFKUULRAQ-UHFFFAOYSA-N 2 0 459.520 3.551 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC001313691585 1070951342 /nfs/dbraw/zinc/95/13/42/1070951342.db2.gz QFIFDMVNOIGSCJ-UHFFFAOYSA-N 2 0 460.711 3.921 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCCC2)CC1 ZINC001313697710 1070967600 /nfs/dbraw/zinc/96/76/00/1070967600.db2.gz OWEOUKCTFMJRDT-UHFFFAOYSA-N 2 0 492.510 3.843 20 0 JHADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001313701767 1070981303 /nfs/dbraw/zinc/98/13/03/1070981303.db2.gz YFURKRZJTACXIX-VWLOTQADSA-N 2 0 495.716 3.537 20 0 JHADRP CC[NH+](CC)Cc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313703736 1070988082 /nfs/dbraw/zinc/98/80/82/1070988082.db2.gz DRSFZEMSQNRZME-UHFFFAOYSA-N 2 0 492.716 3.950 20 0 JHADRP CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313710364 1071004033 /nfs/dbraw/zinc/00/40/33/1071004033.db2.gz ZHHWTTYBKFLKSB-UHFFFAOYSA-N 2 0 469.678 3.800 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001313713938 1071011177 /nfs/dbraw/zinc/01/11/77/1071011177.db2.gz FJELXPHMCYMXKJ-OAQYLSRUSA-N 2 0 454.663 3.996 20 0 JHADRP CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001313718436 1071018686 /nfs/dbraw/zinc/01/86/86/1071018686.db2.gz JKGGVFRNJXHHHR-ZEQRLZLVSA-N 2 0 460.711 3.996 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001313725554 1071032985 /nfs/dbraw/zinc/03/29/85/1071032985.db2.gz LMUNHURVPCJGQO-ISKFKSNPSA-N 2 0 454.663 3.533 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001313727754 1071037766 /nfs/dbraw/zinc/03/77/66/1071037766.db2.gz FXUSXYXBXNDAQN-CCDWMCETSA-N 2 0 481.733 3.998 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810753 1071242792 /nfs/dbraw/zinc/24/27/92/1071242792.db2.gz WQTYPIXGKNMOHG-FUHWJXTLSA-N 2 0 485.986 3.941 20 0 JHADRP CC[N@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001313821104 1071280583 /nfs/dbraw/zinc/28/05/83/1071280583.db2.gz RIYIZLHLPMKNRA-UHFFFAOYSA-N 2 0 499.723 3.733 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001313859109 1071361426 /nfs/dbraw/zinc/36/14/26/1071361426.db2.gz DGFADYSXLHOZBB-ZWKOTPCHSA-N 2 0 461.452 3.722 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CC=CCC2)C[C@@H]1C ZINC001313859710 1071364189 /nfs/dbraw/zinc/36/41/89/1071364189.db2.gz GXSMGEMJVKTIEM-ACRUOGEOSA-N 2 0 456.610 3.738 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313864532 1071387318 /nfs/dbraw/zinc/38/73/18/1071387318.db2.gz YQXYDKNKIBIFDC-QIJZPMMNSA-N 2 0 458.651 3.653 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001313865172 1071390981 /nfs/dbraw/zinc/39/09/81/1071390981.db2.gz HZFQMSUESSQSNX-SFTDATJTSA-N 2 0 488.124 3.791 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001313868809 1071403210 /nfs/dbraw/zinc/40/32/10/1071403210.db2.gz BEJKYRLKEWWNOR-LEWJYISDSA-N 2 0 486.680 3.816 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313874333 1071427986 /nfs/dbraw/zinc/42/79/86/1071427986.db2.gz NNQDTGTYTKOACI-DHIUTWEWSA-N 2 0 453.679 3.839 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313874851 1071431412 /nfs/dbraw/zinc/43/14/12/1071431412.db2.gz QRMQLSTWYDEFHU-MOPGFXCFSA-N 2 0 461.054 3.628 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313877432 1071441523 /nfs/dbraw/zinc/44/15/23/1071441523.db2.gz TZXMLXWULVFOKY-HKBOAZHASA-N 2 0 490.643 3.567 20 0 JHADRP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313878934 1071446898 /nfs/dbraw/zinc/44/68/98/1071446898.db2.gz WJRKWEWSSMWYHV-FKBYEOEOSA-N 2 0 470.662 3.659 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313879200 1071448451 /nfs/dbraw/zinc/44/84/51/1071448451.db2.gz ZCKCVVFXYMNEKD-VABKMULXSA-N 2 0 484.689 3.905 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313888344 1071476884 /nfs/dbraw/zinc/47/68/84/1071476884.db2.gz NPDPLMATNZHQSB-JOCHJYFZSA-N 2 0 456.654 3.906 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001313890142 1071481434 /nfs/dbraw/zinc/48/14/34/1071481434.db2.gz MIXQFFPZKNQXNV-MSOLQXFVSA-N 2 0 491.478 3.588 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001313892401 1071487782 /nfs/dbraw/zinc/48/77/82/1071487782.db2.gz FFCPCEUXDMUJQJ-IBGZPJMESA-N 2 0 492.510 3.841 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313908849 1071531194 /nfs/dbraw/zinc/53/11/94/1071531194.db2.gz PGVMPFSFPQFWAE-HXUWFJFHSA-N 2 0 470.662 3.757 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919438 1071556683 /nfs/dbraw/zinc/55/66/83/1071556683.db2.gz BMIHBPFGFYRTGF-ZEQRLZLVSA-N 2 0 473.754 3.908 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313929264 1071586559 /nfs/dbraw/zinc/58/65/59/1071586559.db2.gz FVQNHCDLCSFTDA-WOJBJXKFSA-N 2 0 491.080 3.713 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001313934019 1071600465 /nfs/dbraw/zinc/60/04/65/1071600465.db2.gz RIYGZJLQZVJKMS-QGZVFWFLSA-N 2 0 481.472 3.629 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[NH+](C)C(C)C)C[C@@H]1C ZINC001313934089 1071600571 /nfs/dbraw/zinc/60/05/71/1071600571.db2.gz SDNLMBCNCMVBFE-KRWDZBQOSA-N 2 0 479.467 3.587 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC001313942379 1071620228 /nfs/dbraw/zinc/62/02/28/1071620228.db2.gz IFAUDUCJDMJYMJ-XZOQPEGZSA-N 2 0 478.689 3.800 20 0 JHADRP CC[N@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](CC)[C@H](C)C1)C1CC1 ZINC001313943969 1071623934 /nfs/dbraw/zinc/62/39/34/1071623934.db2.gz XTZKCTQZKOGGAP-GOSISDBHSA-N 2 0 491.478 3.634 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313946573 1071629289 /nfs/dbraw/zinc/62/92/89/1071629289.db2.gz BLRPOEJLGYFZPZ-QFIPXVFZSA-N 2 0 470.662 3.518 20 0 JHADRP CC[NH+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313950366 1071638216 /nfs/dbraw/zinc/63/82/16/1071638216.db2.gz VAJOILWXELSGDC-TZIWHRDSSA-N 2 0 461.054 3.915 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313951963 1071643777 /nfs/dbraw/zinc/64/37/77/1071643777.db2.gz WTFFRTSLEROHFU-DEOSSOPVSA-N 2 0 481.733 3.777 20 0 JHADRP CCN1CC[NH+](CCCn2c(-c3ccccc3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313957827 1071661311 /nfs/dbraw/zinc/66/13/11/1071661311.db2.gz KDGVHCYGNCDJKE-UHFFFAOYSA-N 2 0 481.733 3.839 20 0 JHADRP CC[NH+]1CCN(CCCn2c(COc3cccc(C)c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313959787 1071667286 /nfs/dbraw/zinc/66/72/86/1071667286.db2.gz AATJAXAVXUYKLD-UHFFFAOYSA-N 2 0 497.732 3.504 20 0 JHADRP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@H+](C)C2CCCCC2)CCOC1 ZINC001314126435 1072035013 /nfs/dbraw/zinc/03/50/13/1072035013.db2.gz QVZFJYSEBWFXQU-SANMLTNESA-N 2 0 476.710 3.505 20 0 JHADRP CCc1ccc(-c2nnc(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001305934719 1068235907 /nfs/dbraw/zinc/23/59/07/1068235907.db2.gz DJVAGXHNTZIEDM-VSKRKVRLSA-N 2 0 468.690 3.783 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001305985080 1068334127 /nfs/dbraw/zinc/33/41/27/1068334127.db2.gz DOWYKQDBLFZDIV-SFTDATJTSA-N 2 0 454.663 3.680 20 0 JHADRP CCc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306182326 1068573050 /nfs/dbraw/zinc/57/30/50/1068573050.db2.gz FCLCEUSCRQBAGB-RUZDIDTESA-N 2 0 468.690 3.690 20 0 JHADRP CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001306318960 1068743258 /nfs/dbraw/zinc/74/32/58/1068743258.db2.gz QGGKOMPGVALXLR-HXUWFJFHSA-N 2 0 492.510 3.841 20 0 JHADRP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCS1 ZINC001306387302 1068822175 /nfs/dbraw/zinc/82/21/75/1068822175.db2.gz DMVOKCSWWXLSFH-OAQYLSRUSA-N 2 0 457.692 3.515 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C[NH+](C)C)CC[N@@H+]1CCOC ZINC001306423386 1068916393 /nfs/dbraw/zinc/91/63/93/1068916393.db2.gz LEYYGNIYLROWEC-FQEVSTJZSA-N 2 0 467.662 3.561 20 0 JHADRP CC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306424904 1068918948 /nfs/dbraw/zinc/91/89/48/1068918948.db2.gz HIMXUAHTVVJMNZ-GMAHTHKFSA-N 2 0 460.711 3.993 20 0 JHADRP Cc1nc2c(n1-c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3)CC[NH2+]CC2 ZINC001164430703 718948919 /nfs/dbraw/zinc/94/89/19/718948919.db2.gz WMHJGDKJDWEZIS-UHFFFAOYSA-N 2 0 464.013 3.939 20 0 JHADRP COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164427149 718954815 /nfs/dbraw/zinc/95/48/15/718954815.db2.gz BNVBQTTWNYIRCB-RUZDIDTESA-N 2 0 478.637 3.556 20 0 JHADRP c1cncc(CN(c2ccc3nc(C4CC[NH2+]CC4)nn3c2)c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164633141 719138878 /nfs/dbraw/zinc/13/88/78/719138878.db2.gz RHZVEOGNWKGLGV-UHFFFAOYSA-N 2 0 498.635 3.799 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164819669 720308596 /nfs/dbraw/zinc/30/85/96/720308596.db2.gz FRXBBTNJQDLKDC-RRPNLBNLSA-N 2 0 473.665 3.551 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2)CC1 ZINC001164913991 721734030 /nfs/dbraw/zinc/73/40/30/721734030.db2.gz ZVWIUXJJMUEHLY-XMMPIXPASA-N 3 0 457.569 3.687 20 0 JHADRP Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)C3)n1 ZINC001164962760 722027340 /nfs/dbraw/zinc/02/73/40/722027340.db2.gz RXGRJKJOWIEQCF-BDYUSTAISA-N 2 0 466.626 3.850 20 0 JHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973121 722157933 /nfs/dbraw/zinc/15/79/33/722157933.db2.gz LHIPJFNMJZWIRM-NFBKMPQASA-N 2 0 489.998 3.779 20 0 JHADRP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306632555 1069334604 /nfs/dbraw/zinc/33/46/04/1069334604.db2.gz ZWESHCSPNZYKNI-FGZHOGPDSA-N 2 0 462.727 3.924 20 0 JHADRP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306632557 1069334417 /nfs/dbraw/zinc/33/44/17/1069334417.db2.gz ZWESHCSPNZYKNI-YADHBBJMSA-N 2 0 462.727 3.924 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001306647878 1069360448 /nfs/dbraw/zinc/36/04/48/1069360448.db2.gz QDRNMUURCSQNMQ-JOCHJYFZSA-N 2 0 472.653 3.753 20 0 JHADRP CCC(CC)[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC001311536591 1069428946 /nfs/dbraw/zinc/42/89/46/1069428946.db2.gz XNKZYBFEGKHDSB-RTWAWAEBSA-N 2 0 458.569 3.744 20 0 JHADRP CC1CC[NH+]([C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cccs2)CC1 ZINC001311569764 1069442097 /nfs/dbraw/zinc/44/20/97/1069442097.db2.gz GTSZLGOMXRNCDF-GOTSBHOMSA-N 2 0 456.656 3.587 20 0 JHADRP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)CC2)cc1 ZINC001311758457 1069535290 /nfs/dbraw/zinc/53/52/90/1069535290.db2.gz LWYMRGDDRPUWFK-RLWLMLJZSA-N 2 0 450.627 3.727 20 0 JHADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001311895231 1069601891 /nfs/dbraw/zinc/60/18/91/1069601891.db2.gz MYEMTWYBPMRTIJ-NRFANRHFSA-N 2 0 450.627 3.668 20 0 JHADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC001311933455 1069619376 /nfs/dbraw/zinc/61/93/76/1069619376.db2.gz QMQMXIIZVVQMHQ-NRFANRHFSA-N 2 0 457.663 3.720 20 0 JHADRP CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC001314178190 1069713636 /nfs/dbraw/zinc/71/36/36/1069713636.db2.gz DFTIWSAKYDIZAB-SFTDATJTSA-N 2 0 470.662 3.615 20 0 JHADRP CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001307038249 1069760893 /nfs/dbraw/zinc/76/08/93/1069760893.db2.gz ZNYXVLRTJGPTRR-UHFFFAOYSA-N 2 0 496.704 3.606 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001307039893 1069765101 /nfs/dbraw/zinc/76/51/01/1069765101.db2.gz GFNPIPXDJHVMEE-JOCHJYFZSA-N 2 0 453.679 3.554 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001307041050 1069768388 /nfs/dbraw/zinc/76/83/88/1069768388.db2.gz QDGAAENTTQHMAT-QFIPXVFZSA-N 2 0 473.735 3.922 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001307047847 1069791894 /nfs/dbraw/zinc/79/18/94/1069791894.db2.gz BVLIRCUCZGGZLA-DHIUTWEWSA-N 2 0 467.706 3.943 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001307048174 1069793333 /nfs/dbraw/zinc/79/33/33/1069793333.db2.gz PDMRUDXDMBFFDD-XMMPIXPASA-N 2 0 453.679 3.695 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)CC)n2Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001307050366 1069799997 /nfs/dbraw/zinc/79/99/97/1069799997.db2.gz RCMJLBGGXNETTJ-OFVILXPXSA-N 2 0 468.690 3.717 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001307049112 1069796632 /nfs/dbraw/zinc/79/66/32/1069796632.db2.gz GUIUFYTTXWCDII-FQEVSTJZSA-N 2 0 470.662 3.757 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001307054053 1069815223 /nfs/dbraw/zinc/81/52/23/1069815223.db2.gz KLAGXKOMCHAAQU-IEBWSBKVSA-N 2 0 478.483 3.831 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001307058915 1069841626 /nfs/dbraw/zinc/84/16/26/1069841626.db2.gz OPXYJSPTPLMGRZ-NNMXDRDESA-N 2 0 459.708 3.817 20 0 JHADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001307058357 1069839155 /nfs/dbraw/zinc/83/91/55/1069839155.db2.gz ZTJDFGCDKRYCNP-QFIPXVFZSA-N 2 0 458.651 3.658 20 0 JHADRP C[N@H+](CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC001307507340 1070024768 /nfs/dbraw/zinc/02/47/68/1070024768.db2.gz KOUUSJUZPGNQDY-UHFFFAOYSA-N 2 0 457.018 3.629 20 0 JHADRP CCC[N@H+](C)[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312675000 1070076492 /nfs/dbraw/zinc/07/64/92/1070076492.db2.gz NJCYVSUYJWUUEX-XZOQPEGZSA-N 2 0 450.071 3.533 20 0 JHADRP O=C1[C@H]([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC001307603001 1070076795 /nfs/dbraw/zinc/07/67/95/1070076795.db2.gz LKWDAXXCJVYOCQ-JOCHJYFZSA-N 2 0 451.558 3.608 20 0 JHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(Cc4ccc(F)c(F)c4)CC3)cc2)CC1 ZINC001307709110 1070138696 /nfs/dbraw/zinc/13/86/96/1070138696.db2.gz BRLDEROUJYOAOB-UHFFFAOYSA-N 2 0 456.581 4.000 20 0 JHADRP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001307886316 1070226267 /nfs/dbraw/zinc/22/62/67/1070226267.db2.gz QSTMDKFTJZRZNG-ISKFKSNPSA-N 2 0 455.643 3.555 20 0 JHADRP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC001313340167 1070331962 /nfs/dbraw/zinc/33/19/62/1070331962.db2.gz BJIIOSKEGIACEH-IZZNHLLZSA-N 2 0 456.675 3.614 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001313453018 1070383983 /nfs/dbraw/zinc/38/39/83/1070383983.db2.gz NUMDXWXIMOHBMV-XJUOHMSHSA-N 2 0 460.711 3.776 20 0 JHADRP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001308918078 1070459074 /nfs/dbraw/zinc/45/90/74/1070459074.db2.gz HWQKAVRWHUCRFQ-FQEVSTJZSA-N 2 0 453.574 3.638 20 0 JHADRP CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001313571052 1070685274 /nfs/dbraw/zinc/68/52/74/1070685274.db2.gz GIJRVEZRAXRDAU-UHFFFAOYSA-N 2 0 463.630 3.537 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC001314647071 1070748315 /nfs/dbraw/zinc/74/83/15/1070748315.db2.gz KPMUYKCIOSWSKR-SFHVURJKSA-N 2 0 490.450 3.852 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313656811 1070852520 /nfs/dbraw/zinc/85/25/20/1070852520.db2.gz LVEXHXJMDVULBN-YADHBBJMSA-N 2 0 479.673 3.689 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001313656810 1070853110 /nfs/dbraw/zinc/85/31/10/1070853110.db2.gz LVEXHXJMDVULBN-VXKWHMMOSA-N 2 0 479.673 3.689 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCCCC1 ZINC001313666661 1070884605 /nfs/dbraw/zinc/88/46/05/1070884605.db2.gz IPVCVHCUOLYPMA-DEOSSOPVSA-N 2 0 467.706 3.754 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001313671832 1070900829 /nfs/dbraw/zinc/90/08/29/1070900829.db2.gz SXFUZDXJHRUFMZ-NOZRDPDXSA-N 2 0 467.706 3.943 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccco1 ZINC001313672437 1070904048 /nfs/dbraw/zinc/90/40/48/1070904048.db2.gz OCKDRVQZRKRJHZ-JOCHJYFZSA-N 2 0 480.661 3.969 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCCC2)CC1 ZINC001313697423 1070966241 /nfs/dbraw/zinc/96/62/41/1070966241.db2.gz OGXMNMRQFFKOQG-UHFFFAOYSA-N 2 0 454.663 3.880 20 0 JHADRP CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001313699367 1070974005 /nfs/dbraw/zinc/97/40/05/1070974005.db2.gz BSDLWFGXSJXPQY-QFIPXVFZSA-N 2 0 495.716 3.617 20 0 JHADRP CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC001313702018 1070982166 /nfs/dbraw/zinc/98/21/66/1070982166.db2.gz FRIXQLJUYUDISL-QPPBQGQZSA-N 2 0 454.663 3.940 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001313706793 1070996914 /nfs/dbraw/zinc/99/69/14/1070996914.db2.gz FKRNMBAKDWTFSA-MCEYFSPLSA-N 2 0 455.695 3.962 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001313711171 1071005657 /nfs/dbraw/zinc/00/56/57/1071005657.db2.gz MZGXDUPAERIXKO-XMMPIXPASA-N 2 0 488.124 3.935 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001313711976 1071007637 /nfs/dbraw/zinc/00/76/37/1071007637.db2.gz JTWMDFGJPXERSP-GOTSBHOMSA-N 2 0 453.679 3.552 20 0 JHADRP CC[NH+](CC)CCCn1c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001313720000 1071021210 /nfs/dbraw/zinc/02/12/10/1071021210.db2.gz DVJFBHCSIAOSFT-RBBKRZOGSA-N 2 0 458.699 3.560 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001313727337 1071036638 /nfs/dbraw/zinc/03/66/38/1071036638.db2.gz POXBRONLANBFBK-PKTZIBPZSA-N 2 0 454.663 3.879 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001313728829 1071040756 /nfs/dbraw/zinc/04/07/56/1071040756.db2.gz XABLDIGSOYNGKP-CCDWMCETSA-N 2 0 481.733 3.855 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC001313803913 1071212760 /nfs/dbraw/zinc/21/27/60/1071212760.db2.gz YAPJBFVPEHSWHA-JOCHJYFZSA-N 2 0 461.054 3.630 20 0 JHADRP C[N@H+](CCCn1c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314853868 1071231835 /nfs/dbraw/zinc/23/18/35/1071231835.db2.gz FIIRVLGMNNMCQT-QFIPXVFZSA-N 2 0 460.711 3.779 20 0 JHADRP CC[N@H+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001313819008 1071271363 /nfs/dbraw/zinc/27/13/63/1071271363.db2.gz FIFQNHCUNSRDDB-UHFFFAOYSA-N 2 0 468.690 3.867 20 0 JHADRP CC[N@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)C ZINC001313819025 1071271427 /nfs/dbraw/zinc/27/14/27/1071271427.db2.gz FUHMGJHEZBLUTQ-ZEQRLZLVSA-N 2 0 499.773 3.703 20 0 JHADRP CC[N@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@H](C)[C@H]1C)C(C)C ZINC001313819023 1071271545 /nfs/dbraw/zinc/27/15/45/1071271545.db2.gz FUHMGJHEZBLUTQ-DNQXCXABSA-N 2 0 499.773 3.703 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001313859107 1071361482 /nfs/dbraw/zinc/36/14/82/1071361482.db2.gz DGFADYSXLHOZBB-QZTJIDSGSA-N 2 0 461.452 3.722 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001313859108 1071361688 /nfs/dbraw/zinc/36/16/88/1071361688.db2.gz DGFADYSXLHOZBB-ROUUACIJSA-N 2 0 461.452 3.722 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2CCC[C@H]2CO)C[C@H]1C ZINC001313859155 1071362809 /nfs/dbraw/zinc/36/28/09/1071362809.db2.gz DYDLSGZBKVTIQQ-QTEQDKRBSA-N 2 0 475.081 3.754 20 0 JHADRP CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1Cl ZINC001310420212 1071379613 /nfs/dbraw/zinc/37/96/13/1071379613.db2.gz NNEAWAHTLZLRMK-NHCUHLMSSA-N 2 0 452.043 3.796 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313868649 1071405628 /nfs/dbraw/zinc/40/56/28/1071405628.db2.gz VPXQMRSJRIMKNL-PRTQVNTJSA-N 2 0 453.679 3.935 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313868284 1071403479 /nfs/dbraw/zinc/40/34/79/1071403479.db2.gz NJBSCPSEGAZTHK-HBMCJLEFSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313871798 1071418290 /nfs/dbraw/zinc/41/82/90/1071418290.db2.gz HNXWSSFPTGETSG-GIWBLDEGSA-N 2 0 456.679 3.773 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001313871919 1071419149 /nfs/dbraw/zinc/41/91/49/1071419149.db2.gz VPAYEOCBYUVXJM-UXHICEINSA-N 2 0 470.662 3.756 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313873225 1071424748 /nfs/dbraw/zinc/42/47/48/1071424748.db2.gz KIAQLTWJTKFHJP-BJESRGMDSA-N 2 0 467.706 3.939 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313873706 1071425438 /nfs/dbraw/zinc/42/54/38/1071425438.db2.gz LPHVIGYVIUDNNS-SLSDLSHTSA-N 2 0 461.658 3.794 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313874334 1071427845 /nfs/dbraw/zinc/42/78/45/1071427845.db2.gz NNQDTGTYTKOACI-GOTSBHOMSA-N 2 0 453.679 3.839 20 0 JHADRP CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001313874605 1071429529 /nfs/dbraw/zinc/42/95/29/1071429529.db2.gz AZKCJIPZXGVDAU-VWLOTQADSA-N 2 0 495.716 3.639 20 0 JHADRP CC[NH+]1CCC(CCn2c(COc3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001313881905 1071456588 /nfs/dbraw/zinc/45/65/88/1071456588.db2.gz QIPDWKJOFJWZKF-NRFANRHFSA-N 2 0 470.662 3.518 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313887336 1071473385 /nfs/dbraw/zinc/47/33/85/1071473385.db2.gz UWGJUPFUNPSCPX-LJQANCHMSA-N 2 0 475.479 3.970 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313903131 1071514864 /nfs/dbraw/zinc/51/48/64/1071514864.db2.gz MFNOJMYDWBQNNO-HXUWFJFHSA-N 2 0 491.478 3.634 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001313928341 1071583792 /nfs/dbraw/zinc/58/37/92/1071583792.db2.gz ATMREGRGCPORSY-OFNKIYASSA-N 2 0 454.663 3.952 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313934493 1071602302 /nfs/dbraw/zinc/60/23/02/1071602302.db2.gz AKRCEMZUVQUYSH-KRWDZBQOSA-N 2 0 479.442 3.863 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313936452 1071607944 /nfs/dbraw/zinc/60/79/44/1071607944.db2.gz OECFKZJEEVIPAY-AZUAARDMSA-N 2 0 479.044 3.625 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943309 1071622640 /nfs/dbraw/zinc/62/26/40/1071622640.db2.gz RKJBYSKDAGNKNV-SGNDLWITSA-N 2 0 484.689 3.504 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001313949109 1071635860 /nfs/dbraw/zinc/63/58/60/1071635860.db2.gz HUPKBZITJPSSLP-WOJBJXKFSA-N 2 0 492.087 3.542 20 0 JHADRP CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313953059 1071647693 /nfs/dbraw/zinc/64/76/93/1071647693.db2.gz FWASJFGOABNSCL-DNQXCXABSA-N 2 0 467.706 3.590 20 0 JHADRP CCN1CC[NH+](CCCCn2c(COc3ccc(C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313953670 1071649561 /nfs/dbraw/zinc/64/95/61/1071649561.db2.gz HKFPTVVYIWXNMZ-UHFFFAOYSA-N 2 0 497.732 3.504 20 0 JHADRP CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC001313957343 1071660056 /nfs/dbraw/zinc/66/00/56/1071660056.db2.gz SYCKQAAOEIMJQR-UHFFFAOYSA-N 2 0 481.733 3.525 20 0 JHADRP CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001306322401 1068753027 /nfs/dbraw/zinc/75/30/27/1068753027.db2.gz JVWPXQVJTFZLIK-NRFANRHFSA-N 2 0 454.667 3.558 20 0 JHADRP CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC2CC[NH+](CCC(C)C)CC2)CC[N@@H+]1CCOC ZINC001306388557 1068824223 /nfs/dbraw/zinc/82/42/23/1068824223.db2.gz KCUVMZGTJBSOKI-QHCPKHFHSA-N 2 0 462.727 3.881 20 0 JHADRP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CC[N@@H+]1CCOC ZINC001306390174 1068827345 /nfs/dbraw/zinc/82/73/45/1068827345.db2.gz RIIRPTILYJSICJ-JOCHJYFZSA-N 2 0 492.778 3.874 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1CCOC ZINC001306413070 1068899636 /nfs/dbraw/zinc/89/96/36/1068899636.db2.gz YAXVWVOAOLOFEX-OAQYLSRUSA-N 2 0 490.096 3.663 20 0 JHADRP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306439971 1068946464 /nfs/dbraw/zinc/94/64/64/1068946464.db2.gz CEVKBEGPTMGWKH-SONWIMMPSA-N 2 0 497.732 3.567 20 0 JHADRP COc1cccc(Cn2ccc3ccc(NC(=O)N4C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C4)cc32)c1 ZINC001310505379 1068987953 /nfs/dbraw/zinc/98/79/53/1068987953.db2.gz UHDFUJSFXDAMAK-DHIUTWEWSA-N 2 0 463.626 3.901 20 0 JHADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC001306586539 1069253353 /nfs/dbraw/zinc/25/33/53/1069253353.db2.gz IDBHYYYPZPCUQS-UPVQGACJSA-N 2 0 452.599 3.539 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1 ZINC001164747598 720856817 /nfs/dbraw/zinc/85/68/17/720856817.db2.gz IEGIRMIFXQQJQI-BKKFENPESA-N 2 0 463.674 3.990 20 0 JHADRP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)c1 ZINC001164751727 720901842 /nfs/dbraw/zinc/90/18/42/720901842.db2.gz DDERNGUTZUXULT-UHSQPCAPSA-N 2 0 491.680 3.706 20 0 JHADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]cc21 ZINC001164746494 720906962 /nfs/dbraw/zinc/90/69/62/720906962.db2.gz AZAWDNNGSFBIEC-DWACAAAGSA-N 2 0 489.620 3.890 20 0 JHADRP Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CCO3)cs1 ZINC001164782360 721445599 /nfs/dbraw/zinc/44/55/99/721445599.db2.gz JASZCEPCNXOJRL-NBGIEHNGSA-N 2 0 472.655 3.912 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CCOC[C@@H]4COc4cccnc4)CC3)c2)CC1 ZINC001164797273 721604171 /nfs/dbraw/zinc/60/41/71/721604171.db2.gz AZFRWLDZRKRNCF-OAQYLSRUSA-N 2 0 452.599 3.652 20 0 JHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC3)C2)cc1 ZINC001164941452 721933068 /nfs/dbraw/zinc/93/30/68/721933068.db2.gz IBFVALUQHKYISL-UHFFFAOYSA-N 3 0 450.627 3.734 20 0 JHADRP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1CCOC ZINC001306631600 1069332027 /nfs/dbraw/zinc/33/20/27/1069332027.db2.gz SOUVNGCIUUFJIZ-JOCHJYFZSA-N 2 0 462.727 3.926 20 0 JHADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)CC1 ZINC001311359892 1069343948 /nfs/dbraw/zinc/34/39/48/1069343948.db2.gz NMVMOPUAHVVPGQ-AREMUKBSSA-N 2 0 455.691 3.620 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001306677940 1069402347 /nfs/dbraw/zinc/40/23/47/1069402347.db2.gz FXPGXFDRYAUGDV-JTHBVZDNSA-N 2 0 487.737 3.688 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001306677937 1069402629 /nfs/dbraw/zinc/40/26/29/1069402629.db2.gz FXPGXFDRYAUGDV-FYYLOGMGSA-N 2 0 487.737 3.688 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001306725885 1069467167 /nfs/dbraw/zinc/46/71/67/1069467167.db2.gz HQEKIHLROGWMKE-SIKLNZKXSA-N 2 0 459.708 3.819 20 0 JHADRP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819247 1069558904 /nfs/dbraw/zinc/55/89/04/1069558904.db2.gz HSGLXZZLGMBGNM-REWPJTCUSA-N 2 0 453.606 3.554 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001306781174 1069578925 /nfs/dbraw/zinc/57/89/25/1069578925.db2.gz HNKXDPZQYKHSIH-FSSWDIPSSA-N 2 0 491.725 3.511 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001306802188 1069608040 /nfs/dbraw/zinc/60/80/40/1069608040.db2.gz HLRUBENIYAKCBJ-IRXDYDNUSA-N 2 0 466.472 3.687 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001306805918 1069617890 /nfs/dbraw/zinc/61/78/90/1069617890.db2.gz ORNCQKKADXFOEV-NRFANRHFSA-N 2 0 475.081 3.879 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001306808452 1069625118 /nfs/dbraw/zinc/62/51/18/1069625118.db2.gz MDWIKRFYRBTZRM-LNRXMEIDSA-N 2 0 491.725 3.700 20 0 JHADRP CCOc1ccc(-c2nnc(N3C[C@H]4CCC[NH+]4C[C@H]3C)n2CCC[N@H+](C)C(C)C)cc1OC ZINC001314169814 1069678060 /nfs/dbraw/zinc/67/80/60/1069678060.db2.gz NUBHVOPRNVUQQI-IFMALSPDSA-N 2 0 470.662 3.756 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307045189 1069780957 /nfs/dbraw/zinc/78/09/57/1069780957.db2.gz LQZMRDDGJUGSNV-QHCPKHFHSA-N 2 0 454.663 3.818 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C[N@H+](C)CC)c2)CC1 ZINC001307055107 1069819603 /nfs/dbraw/zinc/81/96/03/1069819603.db2.gz JXVAAQPDFSKHEF-XMMPIXPASA-N 2 0 468.690 3.983 20 0 JHADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC001312499019 1069974609 /nfs/dbraw/zinc/97/46/09/1069974609.db2.gz FTDHVZLHKQYMKO-AREMUKBSSA-N 2 0 450.627 3.503 20 0 JHADRP CN(C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312499068 1069974737 /nfs/dbraw/zinc/97/47/37/1069974737.db2.gz GMOPXYVQUADZOI-FTJBHMTQSA-N 2 0 450.627 3.584 20 0 JHADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC001307641628 1070097183 /nfs/dbraw/zinc/09/71/83/1070097183.db2.gz YDOCRKBWINQDDY-HHHXNRCGSA-N 2 0 451.611 3.787 20 0 JHADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C[C@H]1C[NH+](C)C ZINC001312821910 1070143016 /nfs/dbraw/zinc/14/30/16/1070143016.db2.gz KWEWTATWXDQJEV-WHSLLNHNSA-N 2 0 476.463 3.689 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC001313074648 1070241714 /nfs/dbraw/zinc/24/17/14/1070241714.db2.gz NWLPXTMEHABZEN-HUCIYCNJSA-N 2 0 451.453 3.910 20 0 JHADRP CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314395797 1070254663 /nfs/dbraw/zinc/25/46/63/1070254663.db2.gz GYVFRGQCGRWWLM-NZQKXSOJSA-N 2 0 468.671 3.890 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001314401053 1070261859 /nfs/dbraw/zinc/26/18/59/1070261859.db2.gz ZZUWQAIQOBAYTM-DEOSSOPVSA-N 2 0 454.663 3.710 20 0 JHADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@@H]2CCCCC[NH+](Cc3ccccc3)C2)CC1 ZINC001313137684 1070265760 /nfs/dbraw/zinc/26/57/60/1070265760.db2.gz FDUMHYIKOADIOQ-RMTZWNOUSA-N 2 0 455.691 3.631 20 0 JHADRP C[NH+](C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653582 1070766626 /nfs/dbraw/zinc/76/66/26/1070766626.db2.gz ZZRYCWPQBGKZPO-GMAHTHKFSA-N 2 0 472.653 3.782 20 0 JHADRP C[NH+](C)CCOc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC001314668564 1070805182 /nfs/dbraw/zinc/80/51/82/1070805182.db2.gz KOISVKWFUJPBNF-UHFFFAOYSA-N 2 0 491.684 3.563 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001313656557 1070851234 /nfs/dbraw/zinc/85/12/34/1070851234.db2.gz JJNAFJRJTZPBCM-SFTDATJTSA-N 2 0 475.081 3.877 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001313660888 1070867132 /nfs/dbraw/zinc/86/71/32/1070867132.db2.gz AXGDXMSKWJCMNS-NRFANRHFSA-N 2 0 454.667 3.558 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001313664480 1070876424 /nfs/dbraw/zinc/87/64/24/1070876424.db2.gz BEQNWRFBWBTAJC-FYYLOGMGSA-N 2 0 489.108 3.801 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001313666128 1070882673 /nfs/dbraw/zinc/88/26/73/1070882673.db2.gz HFLWQIIQJFHPEV-NRFANRHFSA-N 2 0 489.108 3.801 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001313693034 1070953968 /nfs/dbraw/zinc/95/39/68/1070953968.db2.gz GYNVDFRWISDEGA-UHFFFAOYSA-N 2 0 453.679 3.697 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001313693515 1070954638 /nfs/dbraw/zinc/95/46/38/1070954638.db2.gz AKJTWRQIRXXERM-REWPJTCUSA-N 2 0 458.626 3.535 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001313697375 1070966421 /nfs/dbraw/zinc/96/64/21/1070966421.db2.gz NNBNBPQFLHEAMK-UHFFFAOYSA-N 2 0 454.663 3.962 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001313709436 1071001861 /nfs/dbraw/zinc/00/18/61/1071001861.db2.gz DRWWWGPRWAGDBK-ZGXDEKTJSA-N 2 0 460.711 3.851 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313858021 1071357428 /nfs/dbraw/zinc/35/74/28/1071357428.db2.gz FBPHXQCVBFBTSJ-PTUXOGIPSA-N 2 0 481.689 3.798 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313859286 1071363838 /nfs/dbraw/zinc/36/38/38/1071363838.db2.gz FNKZYMIJWSNHHL-AOIWGVFYSA-N 2 0 480.499 3.931 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C)C(C)C)C[C@@H]1C ZINC001313864608 1071387474 /nfs/dbraw/zinc/38/74/74/1071387474.db2.gz ZDCTWUHFVHDJAU-ZWKOTPCHSA-N 2 0 463.468 3.967 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313868073 1071402347 /nfs/dbraw/zinc/40/23/47/1071402347.db2.gz AIBAVMRTTNXGEJ-CZSZKKDXSA-N 2 0 456.704 3.534 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313869752 1071410176 /nfs/dbraw/zinc/41/01/76/1071410176.db2.gz QMHYSPYLSAGYKJ-ZRCGQRJVSA-N 2 0 475.081 3.874 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001313870649 1071414325 /nfs/dbraw/zinc/41/43/25/1071414325.db2.gz VFSUCCOSJKBNMQ-SVFBPWRDSA-N 2 0 459.708 3.673 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313871440 1071416822 /nfs/dbraw/zinc/41/68/22/1071416822.db2.gz ZIDXGSRFRRVIAE-FCHUYYIVSA-N 2 0 470.731 3.810 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313874470 1071428657 /nfs/dbraw/zinc/42/86/57/1071428657.db2.gz IARCCWFNDZDACS-TVZXLZGTSA-N 2 0 486.730 3.830 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313874468 1071428884 /nfs/dbraw/zinc/42/88/84/1071428884.db2.gz IARCCWFNDZDACS-AOJNWGRGSA-N 2 0 486.730 3.830 20 0 JHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493761 1071433575 /nfs/dbraw/zinc/43/35/75/1071433575.db2.gz KZOFYVURUSLSCY-UBFVSLLYSA-N 2 0 458.647 3.529 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877372 1071441691 /nfs/dbraw/zinc/44/16/91/1071441691.db2.gz STQYYKWQZPDFEH-AWRGLXIESA-N 2 0 468.690 3.917 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC001313879188 1071448570 /nfs/dbraw/zinc/44/85/70/1071448570.db2.gz YVZGTFZCYBFSEQ-RJGXRXQPSA-N 2 0 482.677 3.735 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313883119 1071460617 /nfs/dbraw/zinc/46/06/17/1071460617.db2.gz IGCMVDORTXRBKL-NJYVYQBISA-N 2 0 458.626 3.647 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313886058 1071468809 /nfs/dbraw/zinc/46/88/09/1071468809.db2.gz LOXXNTVLPFTARZ-LJQANCHMSA-N 2 0 461.054 3.869 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001313889437 1071480848 /nfs/dbraw/zinc/48/08/48/1071480848.db2.gz KMDGNHYPMFTBJG-OAQYLSRUSA-N 2 0 484.689 3.862 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001313897136 1071501172 /nfs/dbraw/zinc/50/11/72/1071501172.db2.gz UHGWXRUMYOFPJZ-PKOBYXMFSA-N 2 0 481.472 3.893 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313907010 1071525759 /nfs/dbraw/zinc/52/57/59/1071525759.db2.gz VIUXAVCNEMKYFP-HXUWFJFHSA-N 2 0 458.676 3.594 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001313933210 1071597165 /nfs/dbraw/zinc/59/71/65/1071597165.db2.gz NUGZIRXOFRHRFV-MSOLQXFVSA-N 2 0 491.478 3.731 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC001313933930 1071600318 /nfs/dbraw/zinc/60/03/18/1071600318.db2.gz PAGQKICCIBSDSR-JWZKTCGFSA-N 2 0 498.716 3.979 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313940464 1071614775 /nfs/dbraw/zinc/61/47/75/1071614775.db2.gz MCAYEBYWJSHVIZ-APWZRJJASA-N 2 0 459.689 3.529 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001313944464 1071624861 /nfs/dbraw/zinc/62/48/61/1071624861.db2.gz CDELGQCEFBASKS-REWPJTCUSA-N 2 0 474.097 3.545 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001313946648 1071629020 /nfs/dbraw/zinc/62/90/20/1071629020.db2.gz SOQMCTNGEUQEKX-NFBKMPQASA-N 2 0 454.663 3.528 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCC[C@H]2C)C[C@H]1C ZINC001313948935 1071635160 /nfs/dbraw/zinc/63/51/60/1071635160.db2.gz MHIQFLWFTIFIJA-WOJBJXKFSA-N 2 0 458.676 3.594 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001313951140 1071641100 /nfs/dbraw/zinc/64/11/00/1071641100.db2.gz ZYVXWFCQIMGLGQ-OAQYLSRUSA-N 2 0 470.662 3.661 20 0 JHADRP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC001313951454 1071642271 /nfs/dbraw/zinc/64/22/71/1071642271.db2.gz ICTSTYGEZZZBFR-VWLOTQADSA-N 2 0 481.733 3.920 20 0 JHADRP CCN1CC[NH+](CCCCn2c(-c3cccc(Cl)c3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001313952109 1071644491 /nfs/dbraw/zinc/64/44/91/1071644491.db2.gz NCGLCRBNGNHRFV-NRFANRHFSA-N 2 0 474.097 3.547 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313955638 1071656150 /nfs/dbraw/zinc/65/61/50/1071656150.db2.gz UETVSDPHKPBHJE-QFIPXVFZSA-N 2 0 459.727 3.520 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)CCOC1 ZINC001314127927 1072038663 /nfs/dbraw/zinc/03/86/63/1072038663.db2.gz ZDXPYNAAUAAPCT-PXDATVDWSA-N 2 0 490.718 3.605 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CCOC1 ZINC001314127928 1072038814 /nfs/dbraw/zinc/03/88/14/1072038814.db2.gz ZDXPYNAAUAAPCT-SQJMNOBHSA-N 2 0 490.718 3.605 20 0 JHADRP CCc1ccc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305944404 1068256939 /nfs/dbraw/zinc/25/69/39/1068256939.db2.gz KDQFMULFFJHVNL-OAQYLSRUSA-N 2 0 454.663 3.539 20 0 JHADRP CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986505 1068338002 /nfs/dbraw/zinc/33/80/02/1068338002.db2.gz XLUSGKUODPSSQZ-NHCUHLMSSA-N 2 0 454.663 3.823 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1CCOC ZINC001306398395 1068850788 /nfs/dbraw/zinc/85/07/88/1068850788.db2.gz AFDQRSIFHZCYPW-HSZRJFAPSA-N 2 0 484.689 3.623 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)C[NH+](C)C)CC[N@@H+]1CCOC ZINC001306408332 1068885076 /nfs/dbraw/zinc/88/50/76/1068885076.db2.gz APILJDAFCPHRHU-JOCHJYFZSA-N 2 0 479.673 3.628 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001306420352 1068912926 /nfs/dbraw/zinc/91/29/26/1068912926.db2.gz WAAZSEZXHZHVQR-XZOQPEGZSA-N 2 0 484.689 3.621 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306423978 1068917820 /nfs/dbraw/zinc/91/78/20/1068917820.db2.gz NAVVZQLXWDQCPP-WPFOTENUSA-N 2 0 483.705 3.564 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CC=CCC2)CC[N@@H+]1CCOC ZINC001306620520 1069306964 /nfs/dbraw/zinc/30/69/64/1069306964.db2.gz PTLTUNUSGUWVLK-QHCPKHFHSA-N 2 0 473.065 3.798 20 0 JHADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164620765 719008404 /nfs/dbraw/zinc/00/84/04/719008404.db2.gz ZLVZTPBWAMEGML-ABYGYWHVSA-N 2 0 474.649 3.789 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164838336 720725182 /nfs/dbraw/zinc/72/51/82/720725182.db2.gz IBPRCXJBBPKCRZ-QHCPKHFHSA-N 3 0 450.627 3.815 20 0 JHADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1 ZINC001164843458 720743315 /nfs/dbraw/zinc/74/33/15/720743315.db2.gz KCWKEWKEYAALSN-QHCPKHFHSA-N 2 0 457.626 3.986 20 0 JHADRP c1ncn(C[C@H]2C[C@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738369 720821473 /nfs/dbraw/zinc/82/14/73/720821473.db2.gz FBOGPNIDCPZKEB-ZRRKCSAHSA-N 2 0 483.664 3.611 20 0 JHADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(OCC3CC[NH2+]CC3)cn2)CC1 ZINC001165031048 721845018 /nfs/dbraw/zinc/84/50/18/721845018.db2.gz PBYVCZIDISLBEQ-UHFFFAOYSA-N 2 0 454.615 3.578 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164951264 721991494 /nfs/dbraw/zinc/99/14/94/721991494.db2.gz LQONGRYTWWFROG-PWWKTKHKSA-N 2 0 476.687 3.618 20 0 JHADRP Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)C3)n1 ZINC001164962759 722027414 /nfs/dbraw/zinc/02/74/14/722027414.db2.gz RXGRJKJOWIEQCF-AHKZPQOWSA-N 2 0 466.626 3.850 20 0 JHADRP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306626476 1069322304 /nfs/dbraw/zinc/32/23/04/1069322304.db2.gz YYUBHOHFRWTOCE-KEZOAJOQSA-N 2 0 476.710 3.577 20 0 JHADRP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306626477 1069322696 /nfs/dbraw/zinc/32/26/96/1069322696.db2.gz YYUBHOHFRWTOCE-QPXUXIHVSA-N 2 0 476.710 3.577 20 0 JHADRP CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC[C@H]2C)CC[N@@H+]1CCOC ZINC001306633428 1069337055 /nfs/dbraw/zinc/33/70/55/1069337055.db2.gz BMWAYSZNOHNAEL-UEQSERJNSA-N 2 0 490.737 3.618 20 0 JHADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CC1 ZINC001311359893 1069344003 /nfs/dbraw/zinc/34/40/03/1069344003.db2.gz NMVMOPUAHVVPGQ-SANMLTNESA-N 2 0 455.691 3.620 20 0 JHADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001311440264 1069381231 /nfs/dbraw/zinc/38/12/31/1069381231.db2.gz DJSZEJGSDNUEDV-RPBOFIJWSA-N 2 0 456.675 3.675 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001306677714 1069401585 /nfs/dbraw/zinc/40/15/85/1069401585.db2.gz BGCLOXIFECBYJO-RCZVLFRGSA-N 2 0 478.751 3.558 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306683500 1069417221 /nfs/dbraw/zinc/41/72/21/1069417221.db2.gz VWDCQFIJVFIUGP-JOCHJYFZSA-N 2 0 488.124 3.935 20 0 JHADRP CCC(CC)[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC001311536530 1069428917 /nfs/dbraw/zinc/42/89/17/1069428917.db2.gz WWLCEBCNGYCVLT-FCHUYYIVSA-N 2 0 450.693 3.957 20 0 JHADRP CCC(CC)[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC001311536531 1069429037 /nfs/dbraw/zinc/42/90/37/1069429037.db2.gz WWLCEBCNGYCVLT-FGZHOGPDSA-N 2 0 450.693 3.957 20 0 JHADRP COc1ccccc1[C@H](CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)[NH+]1CCCCC1 ZINC001311622848 1069473239 /nfs/dbraw/zinc/47/32/39/1069473239.db2.gz OOXLMTWAWAIRFE-GMAHTHKFSA-N 2 0 458.647 3.507 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[NH+](CC)C2)C1 ZINC001306780009 1069576555 /nfs/dbraw/zinc/57/65/55/1069576555.db2.gz KRPLACYGFNBDBL-OALUTQOASA-N 2 0 492.510 3.556 20 0 JHADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC001311880755 1069594551 /nfs/dbraw/zinc/59/45/51/1069594551.db2.gz KWULFKPFVUZJTL-UHFFFAOYSA-N 2 0 456.553 3.622 20 0 JHADRP CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC001307037463 1069759268 /nfs/dbraw/zinc/75/92/68/1069759268.db2.gz VGQQQGHSBFJDLC-LADGPHEKSA-N 2 0 470.710 3.776 20 0 JHADRP CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](CC)[C@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001314197165 1069778459 /nfs/dbraw/zinc/77/84/59/1069778459.db2.gz JZJGIJSXBURXBW-BHDDXSALSA-N 2 0 470.662 3.832 20 0 JHADRP CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001307045521 1069782395 /nfs/dbraw/zinc/78/23/95/1069782395.db2.gz MDJBKFWQOHRANE-JOCHJYFZSA-N 2 0 454.663 3.647 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001307048776 1069794639 /nfs/dbraw/zinc/79/46/39/1069794639.db2.gz YRSFNZXNDKNALY-JOCHJYFZSA-N 2 0 486.680 3.820 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3F)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001307048890 1069795286 /nfs/dbraw/zinc/79/52/86/1069795286.db2.gz AUMAMWDCYTYWDH-UHFFFAOYSA-N 2 0 485.696 3.668 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001307049114 1069796610 /nfs/dbraw/zinc/79/66/10/1069796610.db2.gz GUIUFYTTXWCDII-HXUWFJFHSA-N 2 0 470.662 3.757 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc4c(c3)OCO4)n2CCC[N@H+](C)C(C)C)CC1 ZINC001307049759 1069797906 /nfs/dbraw/zinc/79/79/06/1069797906.db2.gz NLNJGLHIFMHHAX-UHFFFAOYSA-N 2 0 456.635 3.715 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)CC)n2Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001307050367 1069800411 /nfs/dbraw/zinc/80/04/11/1069800411.db2.gz RCMJLBGGXNETTJ-PXDATVDWSA-N 2 0 468.690 3.717 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001307052073 1069807248 /nfs/dbraw/zinc/80/72/48/1069807248.db2.gz XXODMVNXGIVICU-WXFUMESZSA-N 2 0 487.737 3.772 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001307052326 1069807685 /nfs/dbraw/zinc/80/76/85/1069807685.db2.gz XOBMNITVOZHRGB-OAQYLSRUSA-N 2 0 454.667 3.700 20 0 JHADRP C[C@H]1C[C@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001312252630 1069810817 /nfs/dbraw/zinc/81/08/17/1069810817.db2.gz KLCHTMYPCZQWDY-DHLKQENFSA-N 2 0 450.627 3.666 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001307054304 1069816622 /nfs/dbraw/zinc/81/66/22/1069816622.db2.gz XTAQZLBAGXVWSX-LJQANCHMSA-N 2 0 459.708 3.676 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001307058914 1069842187 /nfs/dbraw/zinc/84/21/87/1069842187.db2.gz OPXYJSPTPLMGRZ-CNNODRBYSA-N 2 0 459.708 3.817 20 0 JHADRP CN(C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312499067 1069974923 /nfs/dbraw/zinc/97/49/23/1069974923.db2.gz GMOPXYVQUADZOI-CLJLJLNGSA-N 2 0 450.627 3.584 20 0 JHADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)CC1 ZINC001307854864 1070212294 /nfs/dbraw/zinc/21/22/94/1070212294.db2.gz KQENMAHQEOQVEY-UHFFFAOYSA-N 2 0 458.448 3.898 20 0 JHADRP COC(=O)/C=C\c1ccc(OCC[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001307884674 1070224913 /nfs/dbraw/zinc/22/49/13/1070224913.db2.gz IAOTWSWLDZMNJE-LCAVHTSUSA-N 2 0 452.595 3.993 20 0 JHADRP COC(=O)/C=C/c1ccc(OCC[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001307884673 1070225022 /nfs/dbraw/zinc/22/50/22/1070225022.db2.gz IAOTWSWLDZMNJE-KVCQUCPUSA-N 2 0 452.595 3.993 20 0 JHADRP O=C(C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001307980464 1070267889 /nfs/dbraw/zinc/26/78/89/1070267889.db2.gz VOKKEAMBWZGHPX-QFIPXVFZSA-N 2 0 450.410 3.919 20 0 JHADRP FC(F)Oc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC001308232920 1070344128 /nfs/dbraw/zinc/34/41/28/1070344128.db2.gz OKUFNAXYHKKACP-UHFFFAOYSA-N 2 0 455.347 3.747 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314499153 1070426176 /nfs/dbraw/zinc/42/61/76/1070426176.db2.gz MEIUWDATVCBVLL-SBFWRKJZSA-N 2 0 476.710 3.577 20 0 JHADRP COC(=O)c1ccc(-c2ccc(C[NH+]3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)o2)cc1 ZINC001308749732 1070430287 /nfs/dbraw/zinc/43/02/87/1070430287.db2.gz VWJCMITWMYKRNW-UHFFFAOYSA-N 2 0 453.583 3.547 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2CC2CC[NH+](C3CC3)CC2)C[C@@H]1CC ZINC001314500523 1070431725 /nfs/dbraw/zinc/43/17/25/1070431725.db2.gz JIQCDCIAOXKBMA-QFIPXVFZSA-N 2 0 460.711 3.678 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@@H]1CC ZINC001314500766 1070432457 /nfs/dbraw/zinc/43/24/57/1070432457.db2.gz XXQACFDYKCJZKS-TTZMFTMZSA-N 2 0 490.737 3.967 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CC[NH+](C3CCOCC3)C[C@@H]2C)c1 ZINC001313571607 1070686130 /nfs/dbraw/zinc/68/61/30/1070686130.db2.gz AGYKPVIOGLLLLB-NRFANRHFSA-N 2 0 454.663 3.591 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC001313574233 1070688905 /nfs/dbraw/zinc/68/89/05/1070688905.db2.gz YKBPOAJIBVEAAO-PSWAGMNNSA-N 2 0 481.733 3.896 20 0 JHADRP C[NH+](C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314650516 1070758514 /nfs/dbraw/zinc/75/85/14/1070758514.db2.gz RPCOERRSJHIZSB-HSZRJFAPSA-N 2 0 480.636 3.735 20 0 JHADRP CN(c1nnc(C(C)(C)C)n1C[C@H](c1ccsc1)[NH+](C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC001314651369 1070760715 /nfs/dbraw/zinc/76/07/15/1070760715.db2.gz AWDBDVNUQVSLJE-JOCHJYFZSA-N 2 0 484.718 3.737 20 0 JHADRP C[NH+](C)C1(Cn2c(COc3ccccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CCCC1 ZINC001314657840 1070777808 /nfs/dbraw/zinc/77/78/08/1070777808.db2.gz HRWWDIIQHWZEPX-UHFFFAOYSA-N 2 0 458.626 3.791 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001313656234 1070849687 /nfs/dbraw/zinc/84/96/87/1070849687.db2.gz HLKFGKIRNZWJBH-UYAOXDASSA-N 2 0 462.589 3.951 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001313671043 1070898742 /nfs/dbraw/zinc/89/87/42/1070898742.db2.gz NLZWTQYSAKGDRT-GOTSBHOMSA-N 2 0 461.658 3.705 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001313693514 1070954786 /nfs/dbraw/zinc/95/47/86/1070954786.db2.gz AKJTWRQIRXXERM-OFNKIYASSA-N 2 0 458.626 3.535 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001313695537 1070960141 /nfs/dbraw/zinc/96/01/41/1070960141.db2.gz BCXKKVCKPZARPL-VWLOTQADSA-N 2 0 472.703 3.702 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001313696755 1070964005 /nfs/dbraw/zinc/96/40/05/1070964005.db2.gz HYSQOQDNCLGGDF-UHFFFAOYSA-N 2 0 470.710 3.715 20 0 JHADRP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313704129 1070988768 /nfs/dbraw/zinc/98/87/68/1070988768.db2.gz GSDXLVHHKNZMHF-ZFGGDYGUSA-N 2 0 454.663 3.591 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001313709433 1071002222 /nfs/dbraw/zinc/00/22/22/1071002222.db2.gz DRWWWGPRWAGDBK-OHTANWTRSA-N 2 0 460.711 3.851 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001313714393 1071012268 /nfs/dbraw/zinc/01/22/68/1071012268.db2.gz YEGRMJUGTPWRNZ-FJIJXJHWSA-N 2 0 472.653 3.782 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001313714389 1071012305 /nfs/dbraw/zinc/01/23/05/1071012305.db2.gz YEGRMJUGTPWRNZ-BGWNEDDSSA-N 2 0 472.653 3.782 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001313724984 1071031521 /nfs/dbraw/zinc/03/15/21/1071031521.db2.gz CWXHYIPPFYFSQQ-ISKFKSNPSA-N 2 0 454.663 3.533 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1)C(C)C ZINC001313802295 1071208109 /nfs/dbraw/zinc/20/81/09/1071208109.db2.gz DISCVMVAURCJQA-NRFANRHFSA-N 2 0 454.663 3.995 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)C(C)C ZINC001313802016 1071207349 /nfs/dbraw/zinc/20/73/49/1071207349.db2.gz BLWQYZGULOOXHE-UHFFFAOYSA-N 2 0 485.080 3.775 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC001313803914 1071212594 /nfs/dbraw/zinc/21/25/94/1071212594.db2.gz YAPJBFVPEHSWHA-QFIPXVFZSA-N 2 0 461.054 3.630 20 0 JHADRP CC[N@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313806533 1071224408 /nfs/dbraw/zinc/22/44/08/1071224408.db2.gz RWSHUJVEWGTXTO-DEOSSOPVSA-N 2 0 481.689 3.942 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313864826 1071389539 /nfs/dbraw/zinc/38/95/39/1071389539.db2.gz CKJNCDXWPWGJGH-CBJLPSGESA-N 2 0 454.663 3.702 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313874278 1071428064 /nfs/dbraw/zinc/42/80/64/1071428064.db2.gz OLDXICNOYCZGHE-FUDKSRODSA-N 2 0 454.663 3.993 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877374 1071441410 /nfs/dbraw/zinc/44/14/10/1071441410.db2.gz STQYYKWQZPDFEH-HFMPRLQTSA-N 2 0 468.690 3.917 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313877960 1071444012 /nfs/dbraw/zinc/44/40/12/1071444012.db2.gz YAOQUWYXVRGFNI-LRSLUSHPSA-N 2 0 454.663 3.993 20 0 JHADRP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313878933 1071446762 /nfs/dbraw/zinc/44/67/62/1071446762.db2.gz WJRKWEWSSMWYHV-FDFHNCONSA-N 2 0 470.662 3.659 20 0 JHADRP CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC001313879284 1071449358 /nfs/dbraw/zinc/44/93/58/1071449358.db2.gz ACNKFGYRERGADG-QHCPKHFHSA-N 2 0 460.711 3.537 20 0 JHADRP CC[NH+]1CCC(CCn2c(COc3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001313881906 1071456755 /nfs/dbraw/zinc/45/67/55/1071456755.db2.gz QIPDWKJOFJWZKF-OAQYLSRUSA-N 2 0 470.662 3.518 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313886349 1071470705 /nfs/dbraw/zinc/47/07/05/1071470705.db2.gz SDDBZHKJBWINMZ-FCHUYYIVSA-N 2 0 470.662 3.517 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313895397 1071497095 /nfs/dbraw/zinc/49/70/95/1071497095.db2.gz HWJYSWKBKQLWLQ-GOSISDBHSA-N 2 0 479.442 3.861 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313896947 1071501356 /nfs/dbraw/zinc/50/13/56/1071501356.db2.gz RWVODXZRSSPPGD-QHCPKHFHSA-N 2 0 468.690 3.776 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313904467 1071518133 /nfs/dbraw/zinc/51/81/33/1071518133.db2.gz IIRLZBSGZGZUAP-NRFANRHFSA-N 2 0 472.703 3.984 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933183 1071597685 /nfs/dbraw/zinc/59/76/85/1071597685.db2.gz YFCYAQCOBCXBEM-LOSJGSFVSA-N 2 0 487.781 3.841 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933174 1071596821 /nfs/dbraw/zinc/59/68/21/1071596821.db2.gz YFCYAQCOBCXBEM-DQEYMECFSA-N 2 0 487.781 3.841 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC001313933929 1071600618 /nfs/dbraw/zinc/60/06/18/1071600618.db2.gz PAGQKICCIBSDSR-IWHLBADBSA-N 2 0 498.716 3.979 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[NH+](C)C(C)C)C[C@H]1C ZINC001313935125 1071604663 /nfs/dbraw/zinc/60/46/63/1071604663.db2.gz XCLNJGYHRQWEGI-GOSISDBHSA-N 2 0 493.494 3.977 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC001313938214 1071611349 /nfs/dbraw/zinc/61/13/49/1071611349.db2.gz RUPZOERBQDEKCH-JOCHJYFZSA-N 2 0 468.690 3.920 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC001313938215 1071611536 /nfs/dbraw/zinc/61/15/36/1071611536.db2.gz RUPZOERBQDEKCH-QFIPXVFZSA-N 2 0 468.690 3.920 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313941473 1071617546 /nfs/dbraw/zinc/61/75/46/1071617546.db2.gz UYMNSUXKJISSAI-GOTSBHOMSA-N 2 0 468.690 3.867 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941962 1071619124 /nfs/dbraw/zinc/61/91/24/1071619124.db2.gz FRWJCEXUQUAEFV-SGNDLWITSA-N 2 0 484.689 3.504 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001313945048 1071625614 /nfs/dbraw/zinc/62/56/14/1071625614.db2.gz GEXNYVOIBKBRDS-GHTZIAJQSA-N 2 0 457.022 3.949 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313946872 1071630478 /nfs/dbraw/zinc/63/04/78/1071630478.db2.gz DQHAPBLQHZYMNZ-BDTNDASRSA-N 2 0 489.709 3.612 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001313947447 1071631514 /nfs/dbraw/zinc/63/15/14/1071631514.db2.gz HHLJVECSHAMBPP-OFVILXPXSA-N 2 0 484.689 3.907 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001313949107 1071635242 /nfs/dbraw/zinc/63/52/42/1071635242.db2.gz HUPKBZITJPSSLP-UXHICEINSA-N 2 0 492.087 3.542 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951091 1071640481 /nfs/dbraw/zinc/64/04/81/1071640481.db2.gz FJCJXNKNSKDOMR-AHWVRZQESA-N 2 0 495.760 3.808 20 0 JHADRP CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313955152 1071654937 /nfs/dbraw/zinc/65/49/37/1071654937.db2.gz XZISSGNCIGHOBV-LOSJGSFVSA-N 2 0 481.733 3.514 20 0 JHADRP CCO[C@@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCC2CC[NH+](CC)CC2)CCOC1 ZINC001314134477 1072046656 /nfs/dbraw/zinc/04/66/56/1072046656.db2.gz IACWRUZSLKKFNI-MHZLTWQESA-N 2 0 490.737 3.610 20 0 JHADRP CCc1ccc(-c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305936442 1068239396 /nfs/dbraw/zinc/23/93/96/1068239396.db2.gz NIKUEAQPMHHHGA-JOCHJYFZSA-N 2 0 468.690 3.786 20 0 JHADRP CCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306135725 1068538883 /nfs/dbraw/zinc/53/88/83/1068538883.db2.gz DIRDPFARCCBMSF-VXKWHMMOSA-N 2 0 460.711 3.821 20 0 JHADRP CC[C@H]1CCCC[N@@H+]1CCn1c(N2CCC(OCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001306321933 1068752556 /nfs/dbraw/zinc/75/25/56/1068752556.db2.gz FSSOSFXHGSTIJX-QFIPXVFZSA-N 2 0 460.711 3.921 20 0 JHADRP CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001306386599 1068820601 /nfs/dbraw/zinc/82/06/01/1068820601.db2.gz JYVFWKFOVOYSCN-NHCUHLMSSA-N 2 0 460.692 3.847 20 0 JHADRP CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001306386600 1068820632 /nfs/dbraw/zinc/82/06/32/1068820632.db2.gz JYVFWKFOVOYSCN-RTWAWAEBSA-N 2 0 460.692 3.847 20 0 JHADRP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC2CC[NH+](CCC(C)C)CC2)CC[N@@H+]1CCOC ZINC001306388556 1068824603 /nfs/dbraw/zinc/82/46/03/1068824603.db2.gz KCUVMZGTJBSOKI-HSZRJFAPSA-N 2 0 462.727 3.881 20 0 JHADRP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001306391023 1068830411 /nfs/dbraw/zinc/83/04/11/1068830411.db2.gz VMNVFBAFCPSVJK-NOZRDPDXSA-N 2 0 498.716 3.968 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306412926 1068899143 /nfs/dbraw/zinc/89/91/43/1068899143.db2.gz XQBNFIUNIBPULO-WPFOTENUSA-N 2 0 454.663 3.613 20 0 JHADRP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306424902 1068918544 /nfs/dbraw/zinc/91/85/44/1068918544.db2.gz HIMXUAHTVVJMNZ-FYYLOGMGSA-N 2 0 460.711 3.993 20 0 JHADRP CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306427385 1068922955 /nfs/dbraw/zinc/92/29/55/1068922955.db2.gz PNFVKALOOGRTAS-SDHSZQHLSA-N 2 0 484.689 3.678 20 0 JHADRP CC[C@H]1CN(c2nnc(C3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCOC ZINC001306429034 1068926711 /nfs/dbraw/zinc/92/67/11/1068926711.db2.gz YSISMCFRJXAVDP-DEOSSOPVSA-N 2 0 454.663 3.593 20 0 JHADRP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306439970 1068946319 /nfs/dbraw/zinc/94/63/19/1068946319.db2.gz CEVKBEGPTMGWKH-GIFXNVAJSA-N 2 0 497.732 3.567 20 0 JHADRP Cc1cc(F)c(Br)cc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001310664430 1069095901 /nfs/dbraw/zinc/09/59/01/1069095901.db2.gz ZDSYPOCJWBWPMR-UHFFFAOYSA-N 2 0 450.356 3.625 20 0 JHADRP COc1cc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)ccc1OCC[NH+](C)C ZINC001310890503 1069211006 /nfs/dbraw/zinc/21/10/06/1069211006.db2.gz JYDWKJLXYJBJOA-UHFFFAOYSA-N 2 0 455.603 3.801 20 0 JHADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164620770 719008190 /nfs/dbraw/zinc/00/81/90/719008190.db2.gz ZLVZTPBWAMEGML-IRPSRAIASA-N 2 0 474.649 3.789 20 0 JHADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)c2ccccc21 ZINC001164681921 719679453 /nfs/dbraw/zinc/67/94/53/719679453.db2.gz OKSBTXHYBISODX-QHCPKHFHSA-N 2 0 475.681 3.769 20 0 JHADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164813916 720205997 /nfs/dbraw/zinc/20/59/97/720205997.db2.gz QUAVIRJVCZPHIS-REWPJTCUSA-N 2 0 467.004 3.841 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)c2)CC1 ZINC001164879752 721259163 /nfs/dbraw/zinc/25/91/63/721259163.db2.gz YNLKHLCHDKIAGB-RPLLCQBOSA-N 2 0 464.610 3.503 20 0 JHADRP FC1(F)CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906529 721695287 /nfs/dbraw/zinc/69/52/87/721695287.db2.gz NICFAAMJFBJHEO-QFIPXVFZSA-N 2 0 462.976 3.730 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H](c4ccccc4)[C@@]4(CCN(c5cccnc5)C4=O)C3)c2)CC1 ZINC001164909788 721742093 /nfs/dbraw/zinc/74/20/93/721742093.db2.gz DQKANUPTVDBVBQ-LITSAYRRSA-N 2 0 483.616 3.977 20 0 JHADRP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306632556 1069334262 /nfs/dbraw/zinc/33/42/62/1069334262.db2.gz ZWESHCSPNZYKNI-VXKWHMMOSA-N 2 0 462.727 3.924 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357600 1069341404 /nfs/dbraw/zinc/34/14/04/1069341404.db2.gz JVENAXOZTSLWSS-NVQXNPDNSA-N 2 0 451.659 3.623 20 0 JHADRP CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)NC[C@@H](C(C)C)[NH+]3CCC(C)CC3)CC2)cc1 ZINC001311393661 1069359909 /nfs/dbraw/zinc/35/99/09/1069359909.db2.gz SQNJXXXQXZLYLB-VWLOTQADSA-N 2 0 457.663 3.665 20 0 JHADRP CCCC[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001306681771 1069411362 /nfs/dbraw/zinc/41/13/62/1069411362.db2.gz UATPGGKBIQTBHO-ONTIZHBOSA-N 2 0 458.626 3.962 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001306680835 1069408668 /nfs/dbraw/zinc/40/86/68/1069408668.db2.gz TYMACTSRBJDFRD-AREMUKBSSA-N 2 0 489.108 3.537 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001306683047 1069415922 /nfs/dbraw/zinc/41/59/22/1069415922.db2.gz UFTWMEITILREDF-UHFFFAOYSA-N 2 0 471.694 3.573 20 0 JHADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC001311537868 1069429733 /nfs/dbraw/zinc/42/97/33/1069429733.db2.gz ZWOGYBCQQAPOGY-NRFANRHFSA-N 2 0 450.627 3.810 20 0 JHADRP C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001311551503 1069435185 /nfs/dbraw/zinc/43/51/85/1069435185.db2.gz QDKISYRVPLSOFM-UHFFFAOYSA-N 2 0 451.453 3.931 20 0 JHADRP CC1CC[NH+](CCCNC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)CC1 ZINC001311551978 1069435680 /nfs/dbraw/zinc/43/56/80/1069435680.db2.gz ALIASLGMCKRWBH-UHFFFAOYSA-N 2 0 452.397 3.572 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001306726020 1069467675 /nfs/dbraw/zinc/46/76/75/1069467675.db2.gz JFAZMYGIAUQPJQ-WPFOTENUSA-N 2 0 453.679 3.837 20 0 JHADRP COc1ccccc1[C@H](CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)[NH+]1CCCCC1 ZINC001311622847 1069473316 /nfs/dbraw/zinc/47/33/16/1069473316.db2.gz OOXLMTWAWAIRFE-GGAORHGYSA-N 2 0 458.647 3.507 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001306787018 1069590967 /nfs/dbraw/zinc/59/09/67/1069590967.db2.gz ZMXYYWBCHZOTGN-JOCHJYFZSA-N 2 0 456.704 3.724 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001306798139 1069603360 /nfs/dbraw/zinc/60/33/60/1069603360.db2.gz NXKUYXJCIHAFKW-SFTDATJTSA-N 2 0 458.626 3.964 20 0 JHADRP C[NH+](C)C1(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)Cc2ccccc2C1 ZINC001311895322 1069601923 /nfs/dbraw/zinc/60/19/23/1069601923.db2.gz ILDPXBWZOYHHBQ-UHFFFAOYSA-N 2 0 455.046 3.950 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306807022 1069620132 /nfs/dbraw/zinc/62/01/32/1069620132.db2.gz MEXIFHSFEULMQD-UHFFFAOYSA-N 2 0 461.054 3.631 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCOC)[C@H](CC)C2)C1 ZINC001307035451 1069753745 /nfs/dbraw/zinc/75/37/45/1069753745.db2.gz UMTFGRTXJGXAOB-NFBKMPQASA-N 2 0 475.081 3.877 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001307039252 1069763730 /nfs/dbraw/zinc/76/37/30/1069763730.db2.gz TUNMPJRTAGUHBF-HXUWFJFHSA-N 2 0 460.617 3.657 20 0 JHADRP CCC[NH+]1CCC(Cn2c(Cc3cccnc3)nnc2N2CCC([NH+](CC)CC)CC2)CC1 ZINC001307042035 1069770696 /nfs/dbraw/zinc/77/06/96/1069770696.db2.gz XJKMJCAEXCRBNG-UHFFFAOYSA-N 2 0 453.679 3.697 20 0 JHADRP CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC001307045311 1069781532 /nfs/dbraw/zinc/78/15/32/1069781532.db2.gz UXTZLPWMOMYWOY-OAQYLSRUSA-N 2 0 460.711 3.678 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(CC[NH+](C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046959 1069787488 /nfs/dbraw/zinc/78/74/88/1069787488.db2.gz OVMTWVXYIOFFDH-RUZDIDTESA-N 2 0 481.733 3.562 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC001312232805 1069797377 /nfs/dbraw/zinc/79/73/77/1069797377.db2.gz ZTEBAWIPYQARLU-SJLPKXTDSA-N 2 0 457.432 3.577 20 0 JHADRP C[C@H]1C[C@@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001312252635 1069811127 /nfs/dbraw/zinc/81/11/27/1069811127.db2.gz KLCHTMYPCZQWDY-WIOPSUGQSA-N 2 0 450.627 3.666 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001307053969 1069815703 /nfs/dbraw/zinc/81/57/03/1069815703.db2.gz JNTVOJVQRQPQJC-SMIHKQSGSA-N 2 0 459.727 3.661 20 0 JHADRP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314219389 1069862846 /nfs/dbraw/zinc/86/28/46/1069862846.db2.gz YDYQXFCIVFITCV-RJGXRXQPSA-N 2 0 484.689 3.907 20 0 JHADRP CCC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307460006 1069997507 /nfs/dbraw/zinc/99/75/07/1069997507.db2.gz ANFVXRGXLHSMRN-QHCPKHFHSA-N 2 0 458.647 3.620 20 0 JHADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312795840 1070125902 /nfs/dbraw/zinc/12/59/02/1070125902.db2.gz ANULDHVVGPYXEO-HXUWFJFHSA-N 2 0 450.071 3.756 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001314401055 1070262192 /nfs/dbraw/zinc/26/21/92/1070262192.db2.gz ZZUWQAIQOBAYTM-XMMPIXPASA-N 2 0 454.663 3.710 20 0 JHADRP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001309243834 1070638828 /nfs/dbraw/zinc/63/88/28/1070638828.db2.gz JWSBPPTVCIMSIJ-FXSWLTOZSA-N 2 0 455.668 3.755 20 0 JHADRP CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001313567654 1070681991 /nfs/dbraw/zinc/68/19/91/1070681991.db2.gz DCNSMAZBBVXHPE-UHFFFAOYSA-N 2 0 463.630 3.537 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313652684 1070831303 /nfs/dbraw/zinc/83/13/03/1070831303.db2.gz XKXRQVKXPCIDGI-UPVQGACJSA-N 2 0 481.689 3.942 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001313656567 1070851029 /nfs/dbraw/zinc/85/10/29/1070851029.db2.gz JWPKETBRACKYCA-NHCUHLMSSA-N 2 0 488.652 3.589 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001313664482 1070876557 /nfs/dbraw/zinc/87/65/57/1070876557.db2.gz BEQNWRFBWBTAJC-JTHBVZDNSA-N 2 0 489.108 3.801 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313669996 1070896261 /nfs/dbraw/zinc/89/62/61/1070896261.db2.gz XPYQBIDISYJPCW-ATIYNZHBSA-N 2 0 476.710 3.504 20 0 JHADRP CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001313687754 1070947404 /nfs/dbraw/zinc/94/74/04/1070947404.db2.gz YZEXSGWHOFIINL-UHFFFAOYSA-N 2 0 468.049 3.976 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001313693494 1070954805 /nfs/dbraw/zinc/95/48/05/1070954805.db2.gz AFIQLCARCQBRIZ-XMMPIXPASA-N 2 0 454.663 3.940 20 0 JHADRP CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313704768 1070991757 /nfs/dbraw/zinc/99/17/57/1070991757.db2.gz LZGJHWHAUCVOKM-UHFFFAOYSA-N 2 0 461.658 3.684 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC001313705916 1070994932 /nfs/dbraw/zinc/99/49/32/1070994932.db2.gz FWJCDSDILSPBFZ-QFIPXVFZSA-N 2 0 482.717 3.749 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001313722720 1071027432 /nfs/dbraw/zinc/02/74/32/1071027432.db2.gz GPMHROZWLMQDOA-OAQYLSRUSA-N 2 0 465.621 3.922 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001313728831 1071040794 /nfs/dbraw/zinc/04/07/94/1071040794.db2.gz XABLDIGSOYNGKP-DSNGMDLFSA-N 2 0 481.733 3.855 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC001313803790 1071212728 /nfs/dbraw/zinc/21/27/28/1071212728.db2.gz UYAMOEXHDZSSJX-NRFANRHFSA-N 2 0 475.081 3.877 20 0 JHADRP CC[N@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313806534 1071224421 /nfs/dbraw/zinc/22/44/21/1071224421.db2.gz RWSHUJVEWGTXTO-XMMPIXPASA-N 2 0 481.689 3.942 20 0 JHADRP C[N@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001314857493 1071240987 /nfs/dbraw/zinc/24/09/87/1071240987.db2.gz UPBQVUKHRSFNDR-UHFFFAOYSA-N 2 0 493.741 3.733 20 0 JHADRP CC[N@H+](CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC001313815419 1071261239 /nfs/dbraw/zinc/26/12/39/1071261239.db2.gz WJIDEUVUDRPHRW-XMMPIXPASA-N 2 0 454.663 3.615 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313858903 1071361613 /nfs/dbraw/zinc/36/16/13/1071361613.db2.gz CKMLAXMGZQIIQW-QHAWAJNXSA-N 2 0 458.626 3.962 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313859287 1071363512 /nfs/dbraw/zinc/36/35/12/1071363512.db2.gz FNKZYMIJWSNHHL-JENIJYKNSA-N 2 0 480.499 3.931 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313859558 1071364372 /nfs/dbraw/zinc/36/43/72/1071364372.db2.gz KLGYJQROQIKHRS-AQNXPRMDSA-N 2 0 490.096 3.511 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313859560 1071364728 /nfs/dbraw/zinc/36/47/28/1071364728.db2.gz KLGYJQROQIKHRS-VAMGGRTRSA-N 2 0 490.096 3.511 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313859557 1071364830 /nfs/dbraw/zinc/36/48/30/1071364830.db2.gz KLGYJQROQIKHRS-AABGKKOBSA-N 2 0 490.096 3.511 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001313860248 1071368853 /nfs/dbraw/zinc/36/88/53/1071368853.db2.gz NBFLVXHJUXSLQB-FGZHOGPDSA-N 2 0 481.689 3.941 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313864534 1071387066 /nfs/dbraw/zinc/38/70/66/1071387066.db2.gz YQXYDKNKIBIFDC-ZFMNYDKASA-N 2 0 458.651 3.653 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001313865160 1071391267 /nfs/dbraw/zinc/39/12/67/1071391267.db2.gz HZFQMSUESSQSNX-LEWJYISDSA-N 2 0 488.124 3.791 20 0 JHADRP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)c2)CC1 ZINC001310442792 1071392872 /nfs/dbraw/zinc/39/28/72/1071392872.db2.gz ZVOXMMLRHLCCLI-UHFFFAOYSA-N 2 0 455.691 3.842 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313864827 1071389209 /nfs/dbraw/zinc/38/92/09/1071389209.db2.gz CKJNCDXWPWGJGH-JSRBNTPPSA-N 2 0 454.663 3.702 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866896 1071395837 /nfs/dbraw/zinc/39/58/37/1071395837.db2.gz HRDNRBGTGWGTPW-DHIUTWEWSA-N 2 0 468.690 3.941 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313868179 1071403405 /nfs/dbraw/zinc/40/34/05/1071403405.db2.gz BEFUIMVTJQBMEX-DHIUTWEWSA-N 2 0 461.658 3.705 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313879203 1071448591 /nfs/dbraw/zinc/44/85/91/1071448591.db2.gz ZCKCVVFXYMNEKD-ZRBLBEILSA-N 2 0 484.689 3.905 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313890398 1071482379 /nfs/dbraw/zinc/48/23/79/1071482379.db2.gz YJTJLPBEVZHWFN-QHCPKHFHSA-N 2 0 456.654 3.906 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001313900148 1071508919 /nfs/dbraw/zinc/50/89/19/1071508919.db2.gz NGFYWKYVTDZKPF-QHCPKHFHSA-N 2 0 460.711 3.680 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(C3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313933268 1071597656 /nfs/dbraw/zinc/59/76/56/1071597656.db2.gz YLQNWOLPBOMAGH-JOCHJYFZSA-N 2 0 459.727 3.520 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313934986 1071604360 /nfs/dbraw/zinc/60/43/60/1071604360.db2.gz UKJKECHEHKZOTF-HYBUGGRVSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313940467 1071614864 /nfs/dbraw/zinc/61/48/64/1071614864.db2.gz MCAYEBYWJSHVIZ-VQIMIIECSA-N 2 0 459.689 3.529 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001313944463 1071624922 /nfs/dbraw/zinc/62/49/22/1071624922.db2.gz CDELGQCEFBASKS-OFNKIYASSA-N 2 0 474.097 3.545 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946651 1071629331 /nfs/dbraw/zinc/62/93/31/1071629331.db2.gz SOQMCTNGEUQEKX-REWPJTCUSA-N 2 0 454.663 3.528 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313947787 1071632639 /nfs/dbraw/zinc/63/26/39/1071632639.db2.gz ZGPOAVVJIIPEJJ-OAQYLSRUSA-N 2 0 454.663 3.530 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313948932 1071634080 /nfs/dbraw/zinc/63/40/80/1071634080.db2.gz MHIQFLWFTIFIJA-PMACEKPBSA-N 2 0 458.676 3.594 20 0 JHADRP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC001313951453 1071641705 /nfs/dbraw/zinc/64/17/05/1071641705.db2.gz ICTSTYGEZZZBFR-RUZDIDTESA-N 2 0 481.733 3.920 20 0 JHADRP CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305950228 1068272225 /nfs/dbraw/zinc/27/22/25/1068272225.db2.gz MRQPBIFIJQWSPB-NRFANRHFSA-N 2 0 454.663 3.539 20 0 JHADRP CCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001306164508 1068560237 /nfs/dbraw/zinc/56/02/37/1068560237.db2.gz JJCUWYLHPHKUEB-XMMPIXPASA-N 2 0 468.690 3.778 20 0 JHADRP CC[C@H](Cn1c(N2CC[N@H+](CCOC)[C@H](CC)C2)nnc1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC001306390417 1068829073 /nfs/dbraw/zinc/82/90/73/1068829073.db2.gz RVYKLPJXJGJPFV-JWQCQUIFSA-N 2 0 482.717 3.960 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@H](C)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306405627 1068874512 /nfs/dbraw/zinc/87/45/12/1068874512.db2.gz FMRKZTHSXQQXFU-SVFBPWRDSA-N 2 0 474.719 3.629 20 0 JHADRP CCC[C@H]1CN(c2nnc(C(C)(C)C)n2CC[NH+]2CCc3sccc3C2)CC[N@@H+]1CCOC ZINC001306620366 1069306577 /nfs/dbraw/zinc/30/65/77/1069306577.db2.gz YKWITXIBOPPLPV-NRFANRHFSA-N 2 0 474.719 3.633 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1 ZINC001164826247 720324506 /nfs/dbraw/zinc/32/45/06/720324506.db2.gz FZWRUFDVRCJIBM-UIOOFZCWSA-N 2 0 457.622 3.996 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164840991 720678614 /nfs/dbraw/zinc/67/86/14/720678614.db2.gz GTXZXBPHFTYZRU-NRFANRHFSA-N 2 0 456.034 3.857 20 0 JHADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755854 720881480 /nfs/dbraw/zinc/88/14/80/720881480.db2.gz ZDJNNFKSVXUJFX-HOFKKMOUSA-N 2 0 497.087 3.747 20 0 JHADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164747080 720936038 /nfs/dbraw/zinc/93/60/38/720936038.db2.gz BWCFITFRPWFGPG-WNJJXGMVSA-N 2 0 491.680 3.610 20 0 JHADRP c1nc2n(c1CN(c1ccccn1)c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC[NH2+]CC2 ZINC001164767470 721041365 /nfs/dbraw/zinc/04/13/65/721041365.db2.gz RYWIDIAKQLEILZ-UHFFFAOYSA-N 2 0 465.605 3.715 20 0 JHADRP c1ccc(C[NH+]2CCc3nc(N4CC[N@@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164869454 721071647 /nfs/dbraw/zinc/07/16/47/721071647.db2.gz STYOVJIPQXFJDU-IZZNHLLZSA-N 2 0 455.606 3.515 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)cc2)CC1 ZINC001311358296 1069342099 /nfs/dbraw/zinc/34/20/99/1069342099.db2.gz RDSJRPNZZDXBCP-QFIPXVFZSA-N 2 0 451.659 3.753 20 0 JHADRP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001311370782 1069348317 /nfs/dbraw/zinc/34/83/17/1069348317.db2.gz VHDCBGVXGTZUTJ-IZZNHLLZSA-N 2 0 455.691 3.630 20 0 JHADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)CC2)c1 ZINC001311379982 1069354110 /nfs/dbraw/zinc/35/41/10/1069354110.db2.gz HDJBXQFRPDKJTA-SANMLTNESA-N 2 0 455.691 3.851 20 0 JHADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](C[NH+](C)C)c3ccc(Cl)cc3)CC2)c1 ZINC001311381515 1069354642 /nfs/dbraw/zinc/35/46/42/1069354642.db2.gz SOEUAIYJBLHXBH-DEOSSOPVSA-N 2 0 458.050 3.763 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001306677713 1069401787 /nfs/dbraw/zinc/40/17/87/1069401787.db2.gz BGCLOXIFECBYJO-DHLKQENFSA-N 2 0 478.751 3.558 20 0 JHADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001311497963 1069407556 /nfs/dbraw/zinc/40/75/56/1069407556.db2.gz SHFMDCKHMIXCES-PIXQIBFHSA-N 2 0 450.627 3.758 20 0 JHADRP COc1ccccc1[C@@H](CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)[NH+]1CCCCC1 ZINC001311622849 1069473218 /nfs/dbraw/zinc/47/32/18/1069473218.db2.gz OOXLMTWAWAIRFE-JTHBVZDNSA-N 2 0 458.647 3.507 20 0 JHADRP CC(C)(CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001311720965 1069519540 /nfs/dbraw/zinc/51/95/40/1069519540.db2.gz ZSSNZBYEEZHULN-UHFFFAOYSA-N 2 0 450.627 3.797 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001306781150 1069578875 /nfs/dbraw/zinc/57/88/75/1069578875.db2.gz HDJVNHOEDGCZQO-XWGVYQGASA-N 2 0 460.711 3.851 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001306783525 1069582433 /nfs/dbraw/zinc/58/24/33/1069582433.db2.gz JNHZRPYYVGJQRX-LEWJYISDSA-N 2 0 475.081 3.735 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001306798136 1069603693 /nfs/dbraw/zinc/60/36/93/1069603693.db2.gz NXKUYXJCIHAFKW-LEWJYISDSA-N 2 0 458.626 3.964 20 0 JHADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001311895232 1069601875 /nfs/dbraw/zinc/60/18/75/1069601875.db2.gz MYEMTWYBPMRTIJ-OAQYLSRUSA-N 2 0 450.627 3.668 20 0 JHADRP CCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC001314169071 1069675560 /nfs/dbraw/zinc/67/55/60/1069675560.db2.gz TWJPGTSAJBQZOW-PWRODBHTSA-N 2 0 470.662 3.613 20 0 JHADRP C[NH+](C)[C@@H](CNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001312166024 1069760310 /nfs/dbraw/zinc/76/03/10/1069760310.db2.gz RLCIJOSPEOSEAA-QHCPKHFHSA-N 2 0 459.034 3.659 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001307041048 1069768308 /nfs/dbraw/zinc/76/83/08/1069768308.db2.gz QDGAAENTTQHMAT-JOCHJYFZSA-N 2 0 473.735 3.922 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(CC)cc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001307046258 1069784669 /nfs/dbraw/zinc/78/46/69/1069784669.db2.gz VHRVNMVDJUWECX-UHFFFAOYSA-N 2 0 468.690 3.665 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001307049304 1069796555 /nfs/dbraw/zinc/79/65/55/1069796555.db2.gz JDYSAORGWMVDQK-FQEVSTJZSA-N 2 0 490.693 3.917 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001307050924 1069802245 /nfs/dbraw/zinc/80/22/45/1069802245.db2.gz BQYPEGUXZNYLCY-FGZHOGPDSA-N 2 0 470.710 3.747 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001307051886 1069805592 /nfs/dbraw/zinc/80/55/92/1069805592.db2.gz VBMTZLJMSHWHAZ-FGZHOGPDSA-N 2 0 460.711 3.992 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001307053498 1069812889 /nfs/dbraw/zinc/81/28/89/1069812889.db2.gz QFZAUGPOIUGYLS-RUZDIDTESA-N 2 0 484.737 3.961 20 0 JHADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001307054054 1069814820 /nfs/dbraw/zinc/81/48/20/1069814820.db2.gz KLAGXKOMCHAAQU-MJGOQNOKSA-N 2 0 478.483 3.831 20 0 JHADRP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314219392 1069862998 /nfs/dbraw/zinc/86/29/98/1069862998.db2.gz YDYQXFCIVFITCV-XPWALMASSA-N 2 0 484.689 3.907 20 0 JHADRP CN1CC[NH+](CC2(C)CC[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC2)CC1 ZINC001307665204 1070111983 /nfs/dbraw/zinc/11/19/83/1070111983.db2.gz FFEASNVWMOKWMY-RUZDIDTESA-N 2 0 454.684 3.693 20 0 JHADRP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001308198560 1070340253 /nfs/dbraw/zinc/34/02/53/1070340253.db2.gz WUYCIPJOHHMZAD-UHFFFAOYSA-N 2 0 453.553 3.670 20 0 JHADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC001308281200 1070351405 /nfs/dbraw/zinc/35/14/05/1070351405.db2.gz LSOVLBUFQNLSNX-UHFFFAOYSA-N 2 0 454.578 3.516 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[NH+]2CC)C[C@H]1CC ZINC001314496481 1070418088 /nfs/dbraw/zinc/41/80/88/1070418088.db2.gz RJFIDLLKZKKNJS-DHIUTWEWSA-N 2 0 454.663 3.675 20 0 JHADRP CC(C)CC[NH+]1CCC([NH2+]C2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001308871226 1070452361 /nfs/dbraw/zinc/45/23/61/1070452361.db2.gz SGPYGAXYJYRQEE-UHFFFAOYSA-N 2 0 452.684 3.725 20 0 JHADRP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001309243839 1070638869 /nfs/dbraw/zinc/63/88/69/1070638869.db2.gz JWSBPPTVCIMSIJ-ROXDYWFKSA-N 2 0 455.668 3.755 20 0 JHADRP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001309243831 1070638931 /nfs/dbraw/zinc/63/89/31/1070638931.db2.gz JWSBPPTVCIMSIJ-ASDGIDEWSA-N 2 0 455.668 3.755 20 0 JHADRP CN(CCCC[NH+](C)C)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309279025 1070664627 /nfs/dbraw/zinc/66/46/27/1070664627.db2.gz MWMSYTPUWLQWMG-BJKOFHAPSA-N 2 0 464.075 3.911 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC001314656616 1070775702 /nfs/dbraw/zinc/77/57/02/1070775702.db2.gz QYEWJIMWMCFYGZ-SFTDATJTSA-N 2 0 474.719 3.780 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1cccs1 ZINC001314657224 1070776265 /nfs/dbraw/zinc/77/62/65/1070776265.db2.gz WXAWJZXXIQIHNS-FQEVSTJZSA-N 2 0 453.660 3.549 20 0 JHADRP C[NH+](C)CCOc1ccc(CCn2c(N3CCC[C@H]([NH+]4CCCC4)C3)nnc2C(C)(C)C)cc1 ZINC001314671500 1070815349 /nfs/dbraw/zinc/81/53/49/1070815349.db2.gz LJJVGLFCEXSAQJ-QHCPKHFHSA-N 2 0 468.690 3.823 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001313652279 1070829830 /nfs/dbraw/zinc/82/98/30/1070829830.db2.gz RXXVZBKJZVTYSV-QFIPXVFZSA-N 2 0 481.689 3.942 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001313657688 1070856265 /nfs/dbraw/zinc/85/62/65/1070856265.db2.gz NPNAFOOYCCAIDD-BDTNDASRSA-N 2 0 471.694 3.572 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001313668671 1070892845 /nfs/dbraw/zinc/89/28/45/1070892845.db2.gz RKVWCLCVNZWOFV-XZOQPEGZSA-N 2 0 484.689 3.585 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001313696922 1070965115 /nfs/dbraw/zinc/96/51/15/1070965115.db2.gz ZYQKLULFZHHWHA-NRFANRHFSA-N 2 0 454.663 3.996 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001313702103 1070982916 /nfs/dbraw/zinc/98/29/16/1070982916.db2.gz MXNGFJLEHDIELQ-HXUWFJFHSA-N 2 0 475.081 3.613 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[NH+]2CCC[C@H]2CO)C1 ZINC001314748225 1070996946 /nfs/dbraw/zinc/99/69/46/1070996946.db2.gz BZONZLUCMXKEBV-ZEQRLZLVSA-N 2 0 468.690 3.523 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001313707862 1070998819 /nfs/dbraw/zinc/99/88/19/1070998819.db2.gz TWIJSECFUMKNMU-OAQYLSRUSA-N 2 0 488.124 3.793 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001313711249 1071006085 /nfs/dbraw/zinc/00/60/85/1071006085.db2.gz GAFWQGMOEYRQGR-QHCPKHFHSA-N 2 0 453.679 3.697 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313715635 1071014407 /nfs/dbraw/zinc/01/44/07/1071014407.db2.gz KWSZDRKHVQOOPQ-VXKWHMMOSA-N 2 0 456.683 3.501 20 0 JHADRP CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001313721196 1071023100 /nfs/dbraw/zinc/02/31/00/1071023100.db2.gz XBXYCRUMSRBFII-BDTNDASRSA-N 2 0 489.709 3.755 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313721441 1071023880 /nfs/dbraw/zinc/02/38/80/1071023880.db2.gz BKCXXZSIDYUQFA-YADHBBJMSA-N 2 0 454.663 3.673 20 0 JHADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)C[C@H]1C[NH+](C)C ZINC001309973040 1071033580 /nfs/dbraw/zinc/03/35/80/1071033580.db2.gz VCFQWEVWUVATBI-IAGOWNOFSA-N 2 0 476.419 3.840 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001313727757 1071038320 /nfs/dbraw/zinc/03/83/20/1071038320.db2.gz FXUSXYXBXNDAQN-UBFVSLLYSA-N 2 0 481.733 3.998 20 0 JHADRP CC[N@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001313820491 1071278249 /nfs/dbraw/zinc/27/82/49/1071278249.db2.gz WWLAGGMBSQJLRT-PLQXJYEYSA-N 2 0 481.733 3.855 20 0 JHADRP CC[N@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001313820489 1071278069 /nfs/dbraw/zinc/27/80/69/1071278069.db2.gz WWLAGGMBSQJLRT-DQEYMECFSA-N 2 0 481.733 3.855 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313859559 1071364779 /nfs/dbraw/zinc/36/47/79/1071364779.db2.gz KLGYJQROQIKHRS-HSALFYBXSA-N 2 0 490.096 3.511 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313860921 1071372043 /nfs/dbraw/zinc/37/20/43/1071372043.db2.gz NFKVCRCDUFAQGQ-LLGFUMIMSA-N 2 0 475.479 3.967 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313860449 1071370294 /nfs/dbraw/zinc/37/02/94/1071370294.db2.gz KZOGXBKBQQOQIF-ONTIZHBOSA-N 2 0 472.678 3.858 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313864530 1071387222 /nfs/dbraw/zinc/38/72/22/1071387222.db2.gz YQXYDKNKIBIFDC-JYAXBFRTSA-N 2 0 458.651 3.653 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001313865168 1071390884 /nfs/dbraw/zinc/39/08/84/1071390884.db2.gz HZFQMSUESSQSNX-RTWAWAEBSA-N 2 0 488.124 3.791 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001313868509 1071404498 /nfs/dbraw/zinc/40/44/98/1071404498.db2.gz NWHONMXFJQGGRO-PKTZIBPZSA-N 2 0 468.690 3.867 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313868507 1071404537 /nfs/dbraw/zinc/40/45/37/1071404537.db2.gz NWHONMXFJQGGRO-GOTSBHOMSA-N 2 0 468.690 3.867 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001313869706 1071410445 /nfs/dbraw/zinc/41/04/45/1071410445.db2.gz QLJKXOZLGWTBMK-XQBPLPMBSA-N 2 0 482.629 3.777 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001313870647 1071414143 /nfs/dbraw/zinc/41/41/43/1071414143.db2.gz VFSUCCOSJKBNMQ-IRFCIJBXSA-N 2 0 459.708 3.673 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313877961 1071443831 /nfs/dbraw/zinc/44/38/31/1071443831.db2.gz YAOQUWYXVRGFNI-MLNNCEHLSA-N 2 0 454.663 3.993 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313903129 1071514904 /nfs/dbraw/zinc/51/49/04/1071514904.db2.gz MFNOJMYDWBQNNO-FQEVSTJZSA-N 2 0 491.478 3.634 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927399 1071579887 /nfs/dbraw/zinc/57/98/87/1071579887.db2.gz KIZHCOOYKXXANZ-RPWUZVMVSA-N 2 0 481.733 3.702 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC001313929581 1071587212 /nfs/dbraw/zinc/58/72/12/1071587212.db2.gz OZEQQGQIZDCSTN-XMMPIXPASA-N 2 0 487.781 3.985 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931380 1071591704 /nfs/dbraw/zinc/59/17/04/1071591704.db2.gz YOIAOCPGVCOCBW-SLQPCKNISA-N 2 0 495.760 3.992 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313934256 1071601755 /nfs/dbraw/zinc/60/17/55/1071601755.db2.gz SUGBYZUHCQQPAH-QRWLVFNGSA-N 2 0 499.548 3.737 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313936632 1071609028 /nfs/dbraw/zinc/60/90/28/1071609028.db2.gz HDNBRPKPZSPFBL-BDTNDASRSA-N 2 0 491.725 3.653 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939924 1071614146 /nfs/dbraw/zinc/61/41/46/1071614146.db2.gz HVAJCPAXVPUPDC-RTWAWAEBSA-N 2 0 452.672 3.981 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1)c1ccsc1 ZINC001313940330 1071615017 /nfs/dbraw/zinc/61/50/17/1071615017.db2.gz VWAPOYUKCMTORL-SIKLNZKXSA-N 2 0 455.676 3.959 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313941472 1071617478 /nfs/dbraw/zinc/61/74/78/1071617478.db2.gz UYMNSUXKJISSAI-DHIUTWEWSA-N 2 0 468.690 3.867 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313942563 1071620888 /nfs/dbraw/zinc/62/08/88/1071620888.db2.gz KAAGIYXPJBITBY-GOTSBHOMSA-N 2 0 454.663 3.552 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943306 1071622651 /nfs/dbraw/zinc/62/26/51/1071622651.db2.gz RKJBYSKDAGNKNV-HJOGWXRNSA-N 2 0 484.689 3.504 20 0 JHADRP CC[N@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](CC)[C@@H](C)C1)C1CC1 ZINC001313943970 1071623757 /nfs/dbraw/zinc/62/37/57/1071623757.db2.gz XTZKCTQZKOGGAP-SFHVURJKSA-N 2 0 491.478 3.634 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001313945051 1071625574 /nfs/dbraw/zinc/62/55/74/1071625574.db2.gz GEXNYVOIBKBRDS-NQIIRXRSSA-N 2 0 457.022 3.949 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313946572 1071629245 /nfs/dbraw/zinc/62/92/45/1071629245.db2.gz BLRPOEJLGYFZPZ-JOCHJYFZSA-N 2 0 470.662 3.518 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001313947203 1071631020 /nfs/dbraw/zinc/63/10/20/1071631020.db2.gz GMYDQMMDXJCSCO-FQEVSTJZSA-N 2 0 472.703 3.984 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313949766 1071637013 /nfs/dbraw/zinc/63/70/13/1071637013.db2.gz RPEXABHANOJWRD-FGZHOGPDSA-N 2 0 470.662 3.518 20 0 JHADRP CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986510 1068338388 /nfs/dbraw/zinc/33/83/88/1068338388.db2.gz XLUSGKUODPSSQZ-RTWAWAEBSA-N 2 0 454.663 3.823 20 0 JHADRP CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCS1 ZINC001306387300 1068821222 /nfs/dbraw/zinc/82/12/22/1068821222.db2.gz DMVOKCSWWXLSFH-NRFANRHFSA-N 2 0 457.692 3.515 20 0 JHADRP CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CC[N@@H+]1CCOC ZINC001306390175 1068827143 /nfs/dbraw/zinc/82/71/43/1068827143.db2.gz RIIRPTILYJSICJ-QFIPXVFZSA-N 2 0 492.778 3.874 20 0 JHADRP CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001306450396 1068969658 /nfs/dbraw/zinc/96/96/58/1068969658.db2.gz MGFPQCNGYHJAJT-RPBOFIJWSA-N 2 0 482.717 3.731 20 0 JHADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164616484 719011865 /nfs/dbraw/zinc/01/18/65/719011865.db2.gz KTFWPCMRZOUOIH-RDPSFJRHSA-N 2 0 495.014 3.806 20 0 JHADRP CCOC(=O)C1CC[NH+](C2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)CC1 ZINC001164613762 719024460 /nfs/dbraw/zinc/02/44/60/719024460.db2.gz CMEHQTSPZNDPIT-UHFFFAOYSA-N 2 0 462.638 3.884 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164819671 720308310 /nfs/dbraw/zinc/30/83/10/720308310.db2.gz FRXBBTNJQDLKDC-SXOMAYOGSA-N 2 0 473.665 3.551 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164819670 720308644 /nfs/dbraw/zinc/30/86/44/720308644.db2.gz FRXBBTNJQDLKDC-SVBPBHIXSA-N 2 0 473.665 3.551 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1 ZINC001164826245 720323929 /nfs/dbraw/zinc/32/39/29/720323929.db2.gz FZWRUFDVRCJIBM-IZZNHLLZSA-N 2 0 457.622 3.996 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831163 720351029 /nfs/dbraw/zinc/35/10/29/720351029.db2.gz XXPIADCGGMLPBC-DSITVLBTSA-N 2 0 453.675 3.930 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164839311 720727353 /nfs/dbraw/zinc/72/73/53/720727353.db2.gz KUJUEFIPORMKIS-XMMPIXPASA-N 2 0 450.627 3.720 20 0 JHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844341 720741936 /nfs/dbraw/zinc/74/19/36/720741936.db2.gz QBOSAQSKEAHINP-UHFFFAOYSA-N 2 0 462.976 3.906 20 0 JHADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738368 720821278 /nfs/dbraw/zinc/82/12/78/720821278.db2.gz FBOGPNIDCPZKEB-UNCTUWKVSA-N 2 0 483.664 3.611 20 0 JHADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755862 720881215 /nfs/dbraw/zinc/88/12/15/720881215.db2.gz ZDJNNFKSVXUJFX-YIXXDRMTSA-N 2 0 497.087 3.747 20 0 JHADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]cc21 ZINC001164746496 720907074 /nfs/dbraw/zinc/90/70/74/720907074.db2.gz AZAWDNNGSFBIEC-SKCUWOTOSA-N 2 0 489.620 3.890 20 0 JHADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164747361 720908005 /nfs/dbraw/zinc/90/80/05/720908005.db2.gz CTBYEPYGHKFFMX-XCZPVHLTSA-N 2 0 461.654 3.828 20 0 JHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866728 721194578 /nfs/dbraw/zinc/19/45/78/721194578.db2.gz CHJHCRVCZHDANG-SFTDATJTSA-N 2 0 475.971 3.531 20 0 JHADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891949 721419172 /nfs/dbraw/zinc/41/91/72/721419172.db2.gz WXKPOGKULFQKIM-RBJSKKJNSA-N 2 0 459.638 3.850 20 0 JHADRP Cc1ccc(N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960562 722025568 /nfs/dbraw/zinc/02/55/68/722025568.db2.gz KOBDRCGBPTZFNZ-CUBQBAPOSA-N 2 0 470.621 3.788 20 0 JHADRP c1ccc(C[N@@H+]2CCc3nc(N4CC[C@H]5C[NH+](Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974953 722109228 /nfs/dbraw/zinc/10/92/28/722109228.db2.gz JDIRNMNLTIBDSD-XTEPFMGCSA-N 2 0 469.633 3.762 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC001306622036 1069311225 /nfs/dbraw/zinc/31/12/25/1069311225.db2.gz VCHXRDOOZHYWNN-HSZRJFAPSA-N 2 0 469.678 3.542 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357596 1069341354 /nfs/dbraw/zinc/34/13/54/1069341354.db2.gz JVENAXOZTSLWSS-BKMJKUGQSA-N 2 0 451.659 3.623 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001306647879 1069359682 /nfs/dbraw/zinc/35/96/82/1069359682.db2.gz QDRNMUURCSQNMQ-QFIPXVFZSA-N 2 0 472.653 3.753 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC001306647902 1069360139 /nfs/dbraw/zinc/36/01/39/1069360139.db2.gz QJBNMSDQMJGVCT-FQEVSTJZSA-N 2 0 458.626 3.506 20 0 JHADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422346 1069370155 /nfs/dbraw/zinc/37/01/55/1069370155.db2.gz HQHSMDABYGCPRS-DGWZTRNLSA-N 2 0 455.691 3.661 20 0 JHADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001311440263 1069381190 /nfs/dbraw/zinc/38/11/90/1069381190.db2.gz DJSZEJGSDNUEDV-LOSJGSFVSA-N 2 0 456.675 3.675 20 0 JHADRP CCCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001306676299 1069400857 /nfs/dbraw/zinc/40/08/57/1069400857.db2.gz GXHICPZVNVNPBG-VWLOTQADSA-N 2 0 481.733 4.000 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001306680393 1069407300 /nfs/dbraw/zinc/40/73/00/1069407300.db2.gz XGFHAAJEELSJIP-LJQANCHMSA-N 2 0 456.635 3.572 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)[NH+](C)C)CC1 ZINC001306680389 1069407307 /nfs/dbraw/zinc/40/73/07/1069407307.db2.gz XGFHAAJEELSJIP-IBGZPJMESA-N 2 0 456.635 3.572 20 0 JHADRP CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001306680577 1069407560 /nfs/dbraw/zinc/40/75/60/1069407560.db2.gz QIPQJEYJHOYSKN-DEOSSOPVSA-N 2 0 481.689 3.944 20 0 JHADRP CCCC[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001306686493 1069423304 /nfs/dbraw/zinc/42/33/04/1069423304.db2.gz DCNPSJSFSWKYDV-DHIUTWEWSA-N 2 0 454.663 3.879 20 0 JHADRP CCC(CC)(CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC001311760273 1069535900 /nfs/dbraw/zinc/53/59/00/1069535900.db2.gz AGIFCHWOOFYGTH-NRFANRHFSA-N 2 0 452.647 3.542 20 0 JHADRP CCC(CC)(CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC001311760274 1069535916 /nfs/dbraw/zinc/53/59/16/1069535916.db2.gz AGIFCHWOOFYGTH-OAQYLSRUSA-N 2 0 452.647 3.542 20 0 JHADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001312165013 1069760420 /nfs/dbraw/zinc/76/04/20/1069760420.db2.gz OCFRGVPBRSXSBS-VCWDAVCJSA-N 2 0 464.654 3.876 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001307041837 1069769995 /nfs/dbraw/zinc/76/99/95/1069769995.db2.gz VBPJOLTWSMKQJM-OAQYLSRUSA-N 2 0 454.663 3.530 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)[NH+](CC)C[C@H]2C)C1 ZINC001307044491 1069777864 /nfs/dbraw/zinc/77/78/64/1069777864.db2.gz GLHYKQIDTOHHMF-NJYVYQBISA-N 2 0 458.626 3.647 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001307048112 1069792755 /nfs/dbraw/zinc/79/27/55/1069792755.db2.gz NHRQIHJJFLIIPU-DNQXCXABSA-N 2 0 482.717 3.987 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001307048362 1069793914 /nfs/dbraw/zinc/79/39/14/1069793914.db2.gz RQVDRTWCUWPDTB-FGZHOGPDSA-N 2 0 453.679 3.695 20 0 JHADRP Cc1cccc(C)c1OC[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC001312239451 1069801742 /nfs/dbraw/zinc/80/17/42/1069801742.db2.gz XEASDLYRLYXVDV-UBFVSLLYSA-N 2 0 452.643 3.804 20 0 JHADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001307052135 1069807555 /nfs/dbraw/zinc/80/75/55/1069807555.db2.gz ZNHBUNPSEJXJQM-VWLOTQADSA-N 2 0 495.716 3.782 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001307054055 1069815051 /nfs/dbraw/zinc/81/50/51/1069815051.db2.gz KLAGXKOMCHAAQU-PKOBYXMFSA-N 2 0 478.483 3.831 20 0 JHADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307592070 1070069549 /nfs/dbraw/zinc/06/95/49/1070069549.db2.gz JKHUDUVZIINFON-NRFANRHFSA-N 2 0 452.437 3.773 20 0 JHADRP COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001307724372 1070148572 /nfs/dbraw/zinc/14/85/72/1070148572.db2.gz HXXIDAPOUUZNLL-QGZVFWFLSA-N 2 0 457.537 3.865 20 0 JHADRP O=C1[C@@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC001307776390 1070178721 /nfs/dbraw/zinc/17/87/21/1070178721.db2.gz SWHGGXVXCZTIKT-QFIPXVFZSA-N 2 0 453.549 3.631 20 0 JHADRP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001307886317 1070226124 /nfs/dbraw/zinc/22/61/24/1070226124.db2.gz QSTMDKFTJZRZNG-LADGPHEKSA-N 2 0 455.643 3.555 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314396266 1070254569 /nfs/dbraw/zinc/25/45/69/1070254569.db2.gz JGQKRDNIUKUHGQ-ILBGXUMGSA-N 2 0 468.690 3.893 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313451985 1070381444 /nfs/dbraw/zinc/38/14/44/1070381444.db2.gz GJCZOCIXVCXCCM-QHCPKHFHSA-N 2 0 454.663 3.530 20 0 JHADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001308685060 1070418315 /nfs/dbraw/zinc/41/83/15/1070418315.db2.gz JYMJWDIBFPALFC-QFIPXVFZSA-N 2 0 452.684 3.584 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@@H]1CC ZINC001314500034 1070428928 /nfs/dbraw/zinc/42/89/28/1070428928.db2.gz RROVITPYTASUEX-GMAHTHKFSA-N 2 0 460.711 3.993 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H]1CC ZINC001314500764 1070432248 /nfs/dbraw/zinc/43/22/48/1070432248.db2.gz XXQACFDYKCJZKS-INADMSBESA-N 2 0 490.737 3.967 20 0 JHADRP C[C@H](CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[NH+]1CCCC[C@@H]1C ZINC001309059606 1070513982 /nfs/dbraw/zinc/51/39/82/1070513982.db2.gz IDZRKFQDSCMSEM-LHYMKVENSA-N 2 0 473.658 3.976 20 0 JHADRP C[C@H](CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001309059608 1070514689 /nfs/dbraw/zinc/51/46/89/1070514689.db2.gz IDZRKFQDSCMSEM-YTFNCPKPSA-N 2 0 473.658 3.976 20 0 JHADRP C[NH+](C)CC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001314665984 1070798305 /nfs/dbraw/zinc/79/83/05/1070798305.db2.gz OCLGNMIHADVADC-DEOSSOPVSA-N 2 0 467.706 3.944 20 0 JHADRP C[NH+](C)CCOc1ccccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001314668240 1070804243 /nfs/dbraw/zinc/80/42/43/1070804243.db2.gz BNWZRFAHTRKDHB-DEOSSOPVSA-N 2 0 498.716 3.719 20 0 JHADRP CN(C)CC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001314671375 1070814506 /nfs/dbraw/zinc/81/45/06/1070814506.db2.gz VYZMROXJBCZWEN-UHFFFAOYSA-N 2 0 487.781 3.843 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC001313663480 1070872451 /nfs/dbraw/zinc/87/24/51/1070872451.db2.gz DEIJYXZFCHKYHA-AREMUKBSSA-N 2 0 467.706 3.664 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313666713 1070885896 /nfs/dbraw/zinc/88/58/96/1070885896.db2.gz JGKFVMFZFCNUHA-JOCHJYFZSA-N 2 0 456.679 3.941 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001313671045 1070898817 /nfs/dbraw/zinc/89/88/17/1070898817.db2.gz NLZWTQYSAKGDRT-XZOQPEGZSA-N 2 0 461.658 3.705 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313691793 1070952202 /nfs/dbraw/zinc/95/22/02/1070952202.db2.gz XGFFXTXFRJRSIZ-HHHXNRCGSA-N 2 0 490.737 3.894 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313694376 1070956450 /nfs/dbraw/zinc/95/64/50/1070956450.db2.gz HPQIKMUYTHSJOT-RJGXRXQPSA-N 2 0 460.711 3.851 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001313706794 1070996767 /nfs/dbraw/zinc/99/67/67/1070996767.db2.gz FKRNMBAKDWTFSA-TVZXLZGTSA-N 2 0 455.695 3.962 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001313711978 1071007511 /nfs/dbraw/zinc/00/75/11/1071007511.db2.gz JTWMDFGJPXERSP-PKTZIBPZSA-N 2 0 453.679 3.552 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001313713770 1071010666 /nfs/dbraw/zinc/01/06/66/1071010666.db2.gz UKHJHDUSIQZQDO-HSZRJFAPSA-N 2 0 453.679 3.697 20 0 JHADRP CN(Cc1ccco1)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001314757814 1071011966 /nfs/dbraw/zinc/01/19/66/1071011966.db2.gz RLPYIUMQQMBSHM-UHFFFAOYSA-N 2 0 451.619 3.703 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001313721074 1071022672 /nfs/dbraw/zinc/02/26/72/1071022672.db2.gz DHVDILZMQOGMML-RTBURBONSA-N 2 0 479.044 3.626 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313727609 1071037146 /nfs/dbraw/zinc/03/71/46/1071037146.db2.gz VQZSTAKMTFKOSP-ICDZXHCJSA-N 2 0 484.737 3.961 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001313728833 1071040785 /nfs/dbraw/zinc/04/07/85/1071040785.db2.gz XABLDIGSOYNGKP-ISJGIBHGSA-N 2 0 481.733 3.855 20 0 JHADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC3(C[NH+]4CCOCC4)CCCCC3)c(C)c2)CC1 ZINC001310018150 1071062832 /nfs/dbraw/zinc/06/28/32/1071062832.db2.gz CZSWVFITTDICRU-UHFFFAOYSA-N 2 0 457.663 3.541 20 0 JHADRP Cn1cc(C[N@@H+]2CCCN(c3nnc(C(C)(C)C)n3CCC[NH+](C)Cc3ccccc3)CC2)cn1 ZINC001314853904 1071231986 /nfs/dbraw/zinc/23/19/86/1071231986.db2.gz GJPSTMCNBCADQN-UHFFFAOYSA-N 2 0 478.689 3.544 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](CC2CC2)CC1)C(C)C ZINC001313808329 1071232981 /nfs/dbraw/zinc/23/29/81/1071232981.db2.gz FINHVMQSRJYPHX-UHFFFAOYSA-N 2 0 461.054 3.869 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001313810100 1071239600 /nfs/dbraw/zinc/23/96/00/1071239600.db2.gz SIGWYPPQZZVNRZ-GOSISDBHSA-N 2 0 498.594 3.810 20 0 JHADRP C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC001314864940 1071265145 /nfs/dbraw/zinc/26/51/45/1071265145.db2.gz WYKRZMSAKJLVDR-HSZRJFAPSA-N 2 0 486.680 3.686 20 0 JHADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCCCC1 ZINC001314892643 1071322818 /nfs/dbraw/zinc/32/28/18/1071322818.db2.gz IXPNAHZCSIUCPG-XUZZJYLKSA-N 2 0 470.710 3.605 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313860920 1071372260 /nfs/dbraw/zinc/37/22/60/1071372260.db2.gz NFKVCRCDUFAQGQ-FIKGOQFSSA-N 2 0 475.479 3.967 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313861283 1071372747 /nfs/dbraw/zinc/37/27/47/1071372747.db2.gz QCGFUZUVOKHETK-VXKWHMMOSA-N 2 0 482.677 3.501 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001313863213 1071380076 /nfs/dbraw/zinc/38/00/76/1071380076.db2.gz RZGFIWLPWWGWCK-ZRNYENFQSA-N 2 0 458.626 3.959 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313864828 1071389042 /nfs/dbraw/zinc/38/90/42/1071389042.db2.gz CKJNCDXWPWGJGH-NEUULRRLSA-N 2 0 454.663 3.702 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313868075 1071402637 /nfs/dbraw/zinc/40/26/37/1071402637.db2.gz AIBAVMRTTNXGEJ-TYBLODHISA-N 2 0 456.704 3.534 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868180 1071403257 /nfs/dbraw/zinc/40/32/57/1071403257.db2.gz BEFUIMVTJQBMEX-GOTSBHOMSA-N 2 0 461.658 3.705 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001313868853 1071406306 /nfs/dbraw/zinc/40/63/06/1071406306.db2.gz BNEQVFSGMDGOSQ-NMMYMHLASA-N 2 0 465.621 3.625 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001313870651 1071415039 /nfs/dbraw/zinc/41/50/39/1071415039.db2.gz VFSUCCOSJKBNMQ-ZJOUEHCJSA-N 2 0 459.708 3.673 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001313871119 1071415893 /nfs/dbraw/zinc/41/58/93/1071415893.db2.gz XBBKREYABZDSPE-IUKKYPGJSA-N 2 0 485.677 3.995 20 0 JHADRP CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001313874604 1071429638 /nfs/dbraw/zinc/42/96/38/1071429638.db2.gz AZKCJIPZXGVDAU-RUZDIDTESA-N 2 0 495.716 3.639 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313874871 1071431489 /nfs/dbraw/zinc/43/14/89/1071431489.db2.gz QRMQLSTWYDEFHU-RBUKOAKNSA-N 2 0 461.054 3.628 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313877308 1071440749 /nfs/dbraw/zinc/44/07/49/1071440749.db2.gz WMTQBAWTGUAICN-LUKWVAJMSA-N 2 0 455.695 3.961 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC001313879189 1071448425 /nfs/dbraw/zinc/44/84/25/1071448425.db2.gz YVZGTFZCYBFSEQ-VABKMULXSA-N 2 0 482.677 3.735 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313883116 1071460702 /nfs/dbraw/zinc/46/07/02/1071460702.db2.gz IGCMVDORTXRBKL-ACRUOGEOSA-N 2 0 458.626 3.647 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313888346 1071476610 /nfs/dbraw/zinc/47/66/10/1071476610.db2.gz NPDPLMATNZHQSB-QFIPXVFZSA-N 2 0 456.654 3.906 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313894616 1071493433 /nfs/dbraw/zinc/49/34/33/1071493433.db2.gz JDARQKXQYICTCV-OAQYLSRUSA-N 2 0 459.708 3.532 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927400 1071580097 /nfs/dbraw/zinc/58/00/97/1071580097.db2.gz KIZHCOOYKXXANZ-ZEQRLZLVSA-N 2 0 481.733 3.702 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313928381 1071583834 /nfs/dbraw/zinc/58/38/34/1071583834.db2.gz BNTSAHQPHIWFRM-ISKFKSNPSA-N 2 0 498.716 3.801 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313929262 1071586748 /nfs/dbraw/zinc/58/67/48/1071586748.db2.gz FVQNHCDLCSFTDA-VQTJNVASSA-N 2 0 491.080 3.713 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313930247 1071588719 /nfs/dbraw/zinc/58/87/19/1071588719.db2.gz AOVGJRGCJZBCAU-RXVVDRJESA-N 2 0 492.510 3.697 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC001313930238 1071588895 /nfs/dbraw/zinc/58/88/95/1071588895.db2.gz AKYMXNWNPQBOPB-UWJYYQICSA-N 2 0 486.462 3.869 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931382 1071591663 /nfs/dbraw/zinc/59/16/63/1071591663.db2.gz YOIAOCPGVCOCBW-WEWMWRJBSA-N 2 0 495.760 3.992 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC001313933931 1071600401 /nfs/dbraw/zinc/60/04/01/1071600401.db2.gz PAGQKICCIBSDSR-LXWOLXCRSA-N 2 0 498.716 3.979 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313934255 1071601947 /nfs/dbraw/zinc/60/19/47/1071601947.db2.gz SUGBYZUHCQQPAH-MGPUTAFESA-N 2 0 499.548 3.737 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC001313934994 1071604381 /nfs/dbraw/zinc/60/43/81/1071604381.db2.gz UOVKZUMIPZPEBV-RTBURBONSA-N 2 0 492.510 3.841 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313935573 1071606029 /nfs/dbraw/zinc/60/60/29/1071606029.db2.gz IGBXYYCGUQZRPO-FQEVSTJZSA-N 2 0 470.662 3.615 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313936634 1071609060 /nfs/dbraw/zinc/60/90/60/1071609060.db2.gz HDNBRPKPZSPFBL-VSKRKVRLSA-N 2 0 491.725 3.653 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001313940855 1071615570 /nfs/dbraw/zinc/61/55/70/1071615570.db2.gz PNKOBHAVHHKWJG-FPOVZHCZSA-N 2 0 459.708 3.532 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001313948593 1071634105 /nfs/dbraw/zinc/63/41/05/1071634105.db2.gz LSLNSOHZMJXMHH-QHCPKHFHSA-N 2 0 499.773 3.683 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001313947445 1071631496 /nfs/dbraw/zinc/63/14/96/1071631496.db2.gz HHLJVECSHAMBPP-BWKNWUBXSA-N 2 0 484.689 3.907 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001313947204 1071631577 /nfs/dbraw/zinc/63/15/77/1071631577.db2.gz GMYDQMMDXJCSCO-HXUWFJFHSA-N 2 0 472.703 3.984 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001313949033 1071634490 /nfs/dbraw/zinc/63/44/90/1071634490.db2.gz GSBJLZBKZNXCPU-QFIPXVFZSA-N 2 0 488.124 3.793 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313949767 1071636938 /nfs/dbraw/zinc/63/69/38/1071636938.db2.gz RPEXABHANOJWRD-VXKWHMMOSA-N 2 0 470.662 3.518 20 0 JHADRP CC[NH+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313950362 1071638198 /nfs/dbraw/zinc/63/81/98/1071638198.db2.gz VAJOILWXELSGDC-FPOVZHCZSA-N 2 0 461.054 3.915 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001313951164 1071641193 /nfs/dbraw/zinc/64/11/93/1071641193.db2.gz ZEANPJHJYVSSFM-DEOSSOPVSA-N 2 0 481.733 3.776 20 0 JHADRP CCN1CC[NH+](C[C@@H](C)Cn2c(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951510 1071642248 /nfs/dbraw/zinc/64/22/48/1071642248.db2.gz JAHIOSFZNSZFBT-RPBOFIJWSA-N 2 0 495.760 3.950 20 0 JHADRP CCO[C@@]1(c2nnc(N3CCC([NH+](CC)CC)CC3)n2CC(C)(C)[NH+]2CCCCC2)CCOC1 ZINC001314113184 1072008594 /nfs/dbraw/zinc/00/85/94/1072008594.db2.gz CZPCNJBPDBVPOC-SANMLTNESA-N 2 0 476.710 3.505 20 0 JHADRP CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306136946 1068539717 /nfs/dbraw/zinc/53/97/17/1068539717.db2.gz SWPGOHDVEOFKQG-ZRZAMGCNSA-N 2 0 474.738 3.924 20 0 JHADRP CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001306318959 1068743383 /nfs/dbraw/zinc/74/33/83/1068743383.db2.gz QGGKOMPGVALXLR-FQEVSTJZSA-N 2 0 492.510 3.841 20 0 JHADRP CC[C@@H](Cn1c(N2CC[N@H+](CCOC)[C@H](CC)C2)nnc1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC001306390419 1068828979 /nfs/dbraw/zinc/82/89/79/1068828979.db2.gz RVYKLPJXJGJPFV-RPBOFIJWSA-N 2 0 482.717 3.960 20 0 JHADRP CC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCCCC2)CC[N@@H+]1CCOC ZINC001306443042 1068953238 /nfs/dbraw/zinc/95/32/38/1068953238.db2.gz BHTDUINISYAWLL-QFIPXVFZSA-N 2 0 474.719 3.742 20 0 JHADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)C[C@H]1C[NH+](C)C ZINC001310582531 1069029728 /nfs/dbraw/zinc/02/97/28/1069029728.db2.gz BCXXEGOFYOECMI-INMHGKMJSA-N 2 0 454.459 3.690 20 0 JHADRP C[NH+](C)CCn1cc(NC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC001310933435 1069226520 /nfs/dbraw/zinc/22/65/20/1069226520.db2.gz QFJCRQBSKKOQNA-UHFFFAOYSA-N 2 0 453.418 3.881 20 0 JHADRP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(-n2nc(C(=O)N3CCC[C@@H]3C)c3c2CC[NH2+]C3)n1 ZINC001164853054 720806090 /nfs/dbraw/zinc/80/60/90/720806090.db2.gz PEULLNYPUVGPAW-HNNXBMFYSA-N 2 0 481.670 3.606 20 0 JHADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164747069 720935716 /nfs/dbraw/zinc/93/57/16/720935716.db2.gz BWCFITFRPWFGPG-LITSAYRRSA-N 2 0 491.680 3.610 20 0 JHADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891948 721418997 /nfs/dbraw/zinc/41/89/97/721418997.db2.gz WXKPOGKULFQKIM-CUBQBAPOSA-N 2 0 459.638 3.850 20 0 JHADRP CCOC(=O)c1c[nH]c2cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]cc12 ZINC001164906191 721721437 /nfs/dbraw/zinc/72/14/37/721721437.db2.gz KRVFNAJODFAJFQ-QHCPKHFHSA-N 2 0 455.509 3.872 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)COCc3cnc(-c5ccccc5)nc34)c2)CC1 ZINC001164928825 721899158 /nfs/dbraw/zinc/89/91/58/721899158.db2.gz QNIACKSQDWNVLI-HHHXNRCGSA-N 2 0 457.578 3.690 20 0 JHADRP COc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC001311343284 1069330331 /nfs/dbraw/zinc/33/03/31/1069330331.db2.gz CRXFFLZPYSYRBI-DSBYRVASSA-N 2 0 450.627 3.899 20 0 JHADRP COc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC001311343288 1069330845 /nfs/dbraw/zinc/33/08/45/1069330845.db2.gz CRXFFLZPYSYRBI-QQSVUBKYSA-N 2 0 450.627 3.899 20 0 JHADRP CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306635625 1069342946 /nfs/dbraw/zinc/34/29/46/1069342946.db2.gz RJHZLVMUCGNBSG-YTFSRNRJSA-N 2 0 476.710 3.577 20 0 JHADRP CN(C(=O)NCc1ccccc1COCc1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001311360039 1069343860 /nfs/dbraw/zinc/34/38/60/1069343860.db2.gz JFMOUGHFBBWQLK-AREMUKBSSA-N 2 0 450.627 3.713 20 0 JHADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001311440261 1069381132 /nfs/dbraw/zinc/38/11/32/1069381132.db2.gz DJSZEJGSDNUEDV-DQEYMECFSA-N 2 0 456.675 3.675 20 0 JHADRP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001311440197 1069381239 /nfs/dbraw/zinc/38/12/39/1069381239.db2.gz CGQWZTKFBZXVNB-IZZNHLLZSA-N 2 0 458.691 3.718 20 0 JHADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001311440262 1069381263 /nfs/dbraw/zinc/38/12/63/1069381263.db2.gz DJSZEJGSDNUEDV-JWQCQUIFSA-N 2 0 456.675 3.675 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCSCC2)CC1 ZINC001306681467 1069410714 /nfs/dbraw/zinc/41/07/14/1069410714.db2.gz ZCCBHAGOEIHZKN-UHFFFAOYSA-N 2 0 460.692 3.844 20 0 JHADRP CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001306680861 1069408750 /nfs/dbraw/zinc/40/87/50/1069408750.db2.gz UVSQZBAMYUBVOP-DEOSSOPVSA-N 2 0 481.689 3.944 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306682322 1069413143 /nfs/dbraw/zinc/41/31/43/1069413143.db2.gz GTRBNWXWNJPUEQ-UHFFFAOYSA-N 2 0 461.054 3.631 20 0 JHADRP CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001306685762 1069421503 /nfs/dbraw/zinc/42/15/03/1069421503.db2.gz KMYSUYYKRGYNQS-XMMPIXPASA-N 2 0 454.663 3.882 20 0 JHADRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001311536940 1069429695 /nfs/dbraw/zinc/42/96/95/1069429695.db2.gz RYJGXUDAEWEGBR-RUZDIDTESA-N 2 0 450.627 3.858 20 0 JHADRP CC1CC[NH+]([C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cccs2)CC1 ZINC001311569768 1069442157 /nfs/dbraw/zinc/44/21/57/1069442157.db2.gz GTSZLGOMXRNCDF-PKTZIBPZSA-N 2 0 456.656 3.587 20 0 JHADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306727077 1069471126 /nfs/dbraw/zinc/47/11/26/1069471126.db2.gz CQFXWNJZJGXSQS-HJOGWXRNSA-N 2 0 476.710 3.577 20 0 JHADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001311767127 1069539223 /nfs/dbraw/zinc/53/92/23/1069539223.db2.gz ZKBIVHSNZVQLAF-KWXIBIRDSA-N 2 0 464.654 3.968 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[NH+](CC)C2)C1 ZINC001306780006 1069576593 /nfs/dbraw/zinc/57/65/93/1069576593.db2.gz KRPLACYGFNBDBL-MOPGFXCFSA-N 2 0 492.510 3.556 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306786683 1069589879 /nfs/dbraw/zinc/58/98/79/1069589879.db2.gz YOFDMVWZAHFZBL-HYBUGGRVSA-N 2 0 465.621 3.950 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001306789350 1069594768 /nfs/dbraw/zinc/59/47/68/1069594768.db2.gz VZQURQJCXWXZOR-RWCIVJTCSA-N 2 0 467.706 3.943 20 0 JHADRP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC001312024927 1069678307 /nfs/dbraw/zinc/67/83/07/1069678307.db2.gz SJMXWHGFYZSGBR-RGSZASNESA-N 2 0 466.670 3.977 20 0 JHADRP CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001314178186 1069713737 /nfs/dbraw/zinc/71/37/37/1069713737.db2.gz DFTIWSAKYDIZAB-NHCUHLMSSA-N 2 0 470.662 3.615 20 0 JHADRP CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001314178752 1069716159 /nfs/dbraw/zinc/71/61/59/1069716159.db2.gz GBIWOMIIHYHAPB-OAQYLSRUSA-N 2 0 470.662 3.759 20 0 JHADRP CCC[NH+]1CCC(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001307031982 1069743202 /nfs/dbraw/zinc/74/32/02/1069743202.db2.gz PIMLHZAOPBGAFN-UHFFFAOYSA-N 2 0 484.689 3.862 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001307044572 1069778025 /nfs/dbraw/zinc/77/80/25/1069778025.db2.gz RCVFUGTYJGULGI-VXNXHJTFSA-N 2 0 473.754 3.593 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC001307044488 1069778285 /nfs/dbraw/zinc/77/82/85/1069778285.db2.gz GLHYKQIDTOHHMF-ACRUOGEOSA-N 2 0 458.626 3.647 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001307045731 1069783173 /nfs/dbraw/zinc/78/31/73/1069783173.db2.gz LUCVRHQCHHLAGL-QFIPXVFZSA-N 2 0 490.096 3.661 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307047283 1069788251 /nfs/dbraw/zinc/78/82/51/1069788251.db2.gz ROIQCWXUIAGBMI-DNVJHFABSA-N 2 0 460.711 3.849 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001307048154 1069792736 /nfs/dbraw/zinc/79/27/36/1069792736.db2.gz OTTUGRMPOPIUGH-JOCHJYFZSA-N 2 0 486.680 3.820 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001307048364 1069794126 /nfs/dbraw/zinc/79/41/26/1069794126.db2.gz RQVDRTWCUWPDTB-VXKWHMMOSA-N 2 0 453.679 3.695 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001307051307 1069803572 /nfs/dbraw/zinc/80/35/72/1069803572.db2.gz MUAPQBRJWZLQSV-UHFFFAOYSA-N 2 0 458.626 3.793 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001307052369 1069808631 /nfs/dbraw/zinc/80/86/31/1069808631.db2.gz YTKHIXTVFNUKIP-QHCPKHFHSA-N 2 0 454.667 3.556 20 0 JHADRP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001307054052 1069815464 /nfs/dbraw/zinc/81/54/64/1069815464.db2.gz KLAGXKOMCHAAQU-HKUYNNGSSA-N 2 0 478.483 3.831 20 0 JHADRP CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001314225212 1069889199 /nfs/dbraw/zinc/88/91/99/1069889199.db2.gz KXVDGVIPIJENDI-QFIPXVFZSA-N 2 0 470.662 3.518 20 0 JHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccccc2OC)CC1 ZINC001307642125 1070097819 /nfs/dbraw/zinc/09/78/19/1070097819.db2.gz KPKOSDLUJWBVJN-VQTJNVASSA-N 2 0 456.606 3.846 20 0 JHADRP CCOCc1nnc(N2C[C@@H](C)[NH+](CC)C[C@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314323432 1070108628 /nfs/dbraw/zinc/10/86/28/1070108628.db2.gz RUPZJVZINVPBLI-NHCUHLMSSA-N 2 0 454.663 3.570 20 0 JHADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](Cc3ccc(F)cc3)C3CCOCC3)cc2)CC1 ZINC001307743298 1070162201 /nfs/dbraw/zinc/16/22/01/1070162201.db2.gz DLOOOJFKKVALAY-UHFFFAOYSA-N 2 0 454.590 3.587 20 0 JHADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001307862328 1070215478 /nfs/dbraw/zinc/21/54/78/1070215478.db2.gz DUVYKRRTPFEHDJ-WWPVKYPJSA-N 2 0 458.647 3.581 20 0 JHADRP CCOCc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001314378218 1070221023 /nfs/dbraw/zinc/22/10/23/1070221023.db2.gz JRPBKUANTOOWOB-HSZRJFAPSA-N 2 0 472.653 3.786 20 0 JHADRP CCOCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314389874 1070242628 /nfs/dbraw/zinc/24/26/28/1070242628.db2.gz FCXBGLLRUVLZAX-NSQNTRMNSA-N 2 0 460.711 3.883 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314396267 1070254950 /nfs/dbraw/zinc/25/49/50/1070254950.db2.gz JGQKRDNIUKUHGQ-NOZRDPDXSA-N 2 0 468.690 3.893 20 0 JHADRP CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314399286 1070259688 /nfs/dbraw/zinc/25/96/88/1070259688.db2.gz SYTPXGFVZJNUKX-QFIPXVFZSA-N 2 0 460.642 3.815 20 0 JHADRP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC001313340169 1070331491 /nfs/dbraw/zinc/33/14/91/1070331491.db2.gz BJIIOSKEGIACEH-UIOOFZCWSA-N 2 0 456.675 3.614 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001313446661 1070363042 /nfs/dbraw/zinc/36/30/42/1070363042.db2.gz DPYZUBMCCMGYTM-HBMCJLEFSA-N 2 0 458.626 3.962 20 0 JHADRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3c(C(=O)OC(C)(C)C)cnn3C)cc2)C[C@@H]1C ZINC001308352477 1070360986 /nfs/dbraw/zinc/36/09/86/1070360986.db2.gz DNADYAWWUKZNNC-PMACEKPBSA-N 2 0 456.631 3.674 20 0 JHADRP Cc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c(-c2ccnn2C)c1 ZINC001308601825 1070399495 /nfs/dbraw/zinc/39/94/95/1070399495.db2.gz WTMIUALKDKUDDW-UHFFFAOYSA-N 2 0 459.638 3.856 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[NH+]2CC)C[C@@H]1CC ZINC001314496487 1070417867 /nfs/dbraw/zinc/41/78/67/1070417867.db2.gz RJFIDLLKZKKNJS-XZOQPEGZSA-N 2 0 454.663 3.675 20 0 JHADRP C[C@@H](CNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[NH+]1CCCC[C@@H]1C ZINC001309059605 1070513875 /nfs/dbraw/zinc/51/38/75/1070513875.db2.gz IDZRKFQDSCMSEM-KZHJIPFUSA-N 2 0 473.658 3.976 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC001313574234 1070689171 /nfs/dbraw/zinc/68/91/71/1070689171.db2.gz YKBPOAJIBVEAAO-ZEQRLZLVSA-N 2 0 481.733 3.896 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001313666631 1070884783 /nfs/dbraw/zinc/88/47/83/1070884783.db2.gz IKDMABJTARRQRJ-JOCHJYFZSA-N 2 0 454.663 3.960 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313666739 1070885379 /nfs/dbraw/zinc/88/53/79/1070885379.db2.gz IUESOUXTRJWYNE-SFTDATJTSA-N 2 0 489.108 3.942 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313667842 1070890340 /nfs/dbraw/zinc/89/03/40/1070890340.db2.gz LQEAUSHHOYIVMD-NJYVYQBISA-N 2 0 491.725 3.700 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001313667211 1070887841 /nfs/dbraw/zinc/88/78/41/1070887841.db2.gz KETGBSBFTPNYSB-HSZRJFAPSA-N 2 0 499.723 3.733 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313669839 1070895541 /nfs/dbraw/zinc/89/55/41/1070895541.db2.gz DQUMOUCDAFRJJQ-QHAWAJNXSA-N 2 0 451.663 3.999 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001313693004 1070953444 /nfs/dbraw/zinc/95/34/44/1070953444.db2.gz FZSMDFYCLSTIPT-XMMPIXPASA-N 2 0 482.717 3.989 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001313695030 1070958798 /nfs/dbraw/zinc/95/87/98/1070958798.db2.gz ZXVJZKGPPAALGN-JOCHJYFZSA-N 2 0 467.687 3.939 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313694203 1070956705 /nfs/dbraw/zinc/95/67/05/1070956705.db2.gz QZSVMDTWQGYDKA-QFIPXVFZSA-N 2 0 453.679 3.839 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001313696776 1070964486 /nfs/dbraw/zinc/96/44/86/1070964486.db2.gz ISYXQTLDUIRYQM-UHFFFAOYSA-N 2 0 454.663 3.960 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001313712671 1071009577 /nfs/dbraw/zinc/00/95/77/1071009577.db2.gz RIEUENMRYGDDRI-OAQYLSRUSA-N 2 0 492.087 3.686 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001313725955 1071034218 /nfs/dbraw/zinc/03/42/18/1071034218.db2.gz VTPOKIWSDNIBME-IFMALSPDSA-N 2 0 460.692 3.676 20 0 JHADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)C[C@H]1C[NH+](C)C ZINC001310086647 1071110778 /nfs/dbraw/zinc/11/07/78/1071110778.db2.gz ORLCAMBPQFDDCX-IAGOWNOFSA-N 2 0 469.577 3.956 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313858901 1071360316 /nfs/dbraw/zinc/36/03/16/1071360316.db2.gz CKMLAXMGZQIIQW-PCCBWWKXSA-N 2 0 458.626 3.962 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2CCC[C@@H]2CO)C[C@@H]1C ZINC001313859156 1071362520 /nfs/dbraw/zinc/36/25/20/1071362520.db2.gz DYDLSGZBKVTIQQ-SXWKCWPCSA-N 2 0 475.081 3.754 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001313860247 1071368605 /nfs/dbraw/zinc/36/86/05/1071368605.db2.gz NBFLVXHJUXSLQB-FCHUYYIVSA-N 2 0 481.689 3.941 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313860412 1071369138 /nfs/dbraw/zinc/36/91/38/1071369138.db2.gz KLOQBJMFFYMBKL-HKBOAZHASA-N 2 0 464.662 3.984 20 0 JHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001310462464 1071405081 /nfs/dbraw/zinc/40/50/81/1071405081.db2.gz QMEGOMZXBZFBAT-FQEVSTJZSA-N 2 0 452.525 3.771 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313873227 1071424831 /nfs/dbraw/zinc/42/48/31/1071424831.db2.gz KIAQLTWJTKFHJP-ODAXIHTASA-N 2 0 467.706 3.939 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313873619 1071425763 /nfs/dbraw/zinc/42/57/63/1071425763.db2.gz MOFQCGGIJNJFSI-HKBOAZHASA-N 2 0 458.626 3.504 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)c1ccco1 ZINC001313879191 1071448479 /nfs/dbraw/zinc/44/84/79/1071448479.db2.gz YVZGTFZCYBFSEQ-XPWALMASSA-N 2 0 482.677 3.735 20 0 JHADRP CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001313882869 1071459857 /nfs/dbraw/zinc/45/98/57/1071459857.db2.gz NRWYYYBOKZNFKZ-NRFANRHFSA-N 2 0 454.663 3.530 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313886305 1071469744 /nfs/dbraw/zinc/46/97/44/1071469744.db2.gz RKIRXANBWLSVJD-FNAHDJPLSA-N 2 0 492.778 3.943 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313886352 1071470747 /nfs/dbraw/zinc/47/07/47/1071470747.db2.gz SDDBZHKJBWINMZ-YADHBBJMSA-N 2 0 470.662 3.517 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001313890144 1071482298 /nfs/dbraw/zinc/48/22/98/1071482298.db2.gz MIXQFFPZKNQXNV-ROUUACIJSA-N 2 0 491.478 3.588 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001313897134 1071501099 /nfs/dbraw/zinc/50/10/99/1071501099.db2.gz UHGWXRUMYOFPJZ-IEBWSBKVSA-N 2 0 481.472 3.893 20 0 JHADRP CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001313898293 1071504856 /nfs/dbraw/zinc/50/48/56/1071504856.db2.gz PSEQEWAOWUJGIR-RTWAWAEBSA-N 2 0 489.709 3.612 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001313933214 1071597107 /nfs/dbraw/zinc/59/71/07/1071597107.db2.gz NUGZIRXOFRHRFV-QZTJIDSGSA-N 2 0 491.478 3.731 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001313936865 1071609509 /nfs/dbraw/zinc/60/95/09/1071609509.db2.gz QONDBTSOOQEMMM-RTWAWAEBSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC001313936851 1071609771 /nfs/dbraw/zinc/60/97/71/1071609771.db2.gz QMFLJHGNEUPGKH-HXUWFJFHSA-N 2 0 470.662 3.757 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC001313942377 1071620220 /nfs/dbraw/zinc/62/02/20/1071620220.db2.gz IFAUDUCJDMJYMJ-GOTSBHOMSA-N 2 0 478.689 3.800 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946649 1071628984 /nfs/dbraw/zinc/62/89/84/1071628984.db2.gz SOQMCTNGEUQEKX-NZQKXSOJSA-N 2 0 454.663 3.528 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313946875 1071630550 /nfs/dbraw/zinc/63/05/50/1071630550.db2.gz DQHAPBLQHZYMNZ-VSKRKVRLSA-N 2 0 489.709 3.612 20 0 JHADRP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001313951089 1071640440 /nfs/dbraw/zinc/64/04/40/1071640440.db2.gz FEOLCRMTYKSPIR-VWLOTQADSA-N 2 0 473.754 3.912 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951509 1071642261 /nfs/dbraw/zinc/64/22/61/1071642261.db2.gz JAHIOSFZNSZFBT-LOSJGSFVSA-N 2 0 495.760 3.950 20 0 JHADRP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314127101 1072036946 /nfs/dbraw/zinc/03/69/46/1072036946.db2.gz UZVPLJDIBWGDKD-AMGIVPHBSA-N 2 0 490.737 3.751 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001305985540 1068335270 /nfs/dbraw/zinc/33/52/70/1068335270.db2.gz PIKKCFFVGXVQOT-OAQYLSRUSA-N 2 0 454.663 3.824 20 0 JHADRP CCc1nnc(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001306136277 1068538824 /nfs/dbraw/zinc/53/88/24/1068538824.db2.gz KDYXVBGVTRAHDD-SZPZYZBQSA-N 2 0 460.711 3.821 20 0 JHADRP CCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306135723 1068539066 /nfs/dbraw/zinc/53/90/66/1068539066.db2.gz DIRDPFARCCBMSF-SZPZYZBQSA-N 2 0 460.711 3.821 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCCC[C@@H]2CC)CC[NH+]1CCOC ZINC001306317683 1068739164 /nfs/dbraw/zinc/73/91/64/1068739164.db2.gz BNYARSILBKAYMR-VXKWHMMOSA-N 2 0 472.653 3.896 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@@H+]1CCOC ZINC001306398399 1068850591 /nfs/dbraw/zinc/85/05/91/1068850591.db2.gz AFDQRSIFHZCYPW-QHCPKHFHSA-N 2 0 484.689 3.623 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)CC[N@@H+]1CCOC ZINC001306406526 1068877110 /nfs/dbraw/zinc/87/71/10/1068877110.db2.gz YZEURNCDEOYRIT-DHIUTWEWSA-N 2 0 472.678 3.762 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001306418845 1068910719 /nfs/dbraw/zinc/91/07/19/1068910719.db2.gz JYRIEOQLEOTNKE-QFIPXVFZSA-N 2 0 472.653 3.753 20 0 JHADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164685535 719673335 /nfs/dbraw/zinc/67/33/35/719673335.db2.gz VIXUKSKGGXUSPL-JOCHJYFZSA-N 2 0 461.654 3.775 20 0 JHADRP Fc1cccnc1N(c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164692080 719760233 /nfs/dbraw/zinc/76/02/33/719760233.db2.gz RLASTIORAWEUCC-WXVAWEFUSA-N 2 0 459.569 3.833 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1 ZINC001164747600 720856756 /nfs/dbraw/zinc/85/67/56/720856756.db2.gz IEGIRMIFXQQJQI-VEYUFSJPSA-N 2 0 463.674 3.990 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1 ZINC001164747601 720856990 /nfs/dbraw/zinc/85/69/90/720856990.db2.gz IEGIRMIFXQQJQI-XDZVQPMWSA-N 2 0 463.674 3.990 20 0 JHADRP Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(N2CCCC2)[nH+]1 ZINC001164747239 720874026 /nfs/dbraw/zinc/87/40/26/720874026.db2.gz AUJVEJLJZXRVES-SQHAQQRYSA-N 2 0 462.642 3.535 20 0 JHADRP C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)CC1 ZINC001164753131 720931321 /nfs/dbraw/zinc/93/13/21/720931321.db2.gz QHSRBAVRUNYXSD-ABYGYWHVSA-N 2 0 491.680 3.705 20 0 JHADRP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001311370784 1069348268 /nfs/dbraw/zinc/34/82/68/1069348268.db2.gz VHDCBGVXGTZUTJ-UIOOFZCWSA-N 2 0 455.691 3.630 20 0 JHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC001311497909 1069407079 /nfs/dbraw/zinc/40/70/79/1069407079.db2.gz SGCQHZLBVWKYPC-HFZDXXHNSA-N 2 0 450.627 3.627 20 0 JHADRP CCC(CC)[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC001311536592 1069429155 /nfs/dbraw/zinc/42/91/55/1069429155.db2.gz XNKZYBFEGKHDSB-SFTDATJTSA-N 2 0 458.569 3.744 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001306722395 1069460603 /nfs/dbraw/zinc/46/06/03/1069460603.db2.gz KQDZVIWZBAYEMG-JOCHJYFZSA-N 2 0 496.704 3.891 20 0 JHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718949 1069517933 /nfs/dbraw/zinc/51/79/33/1069517933.db2.gz MMNCMJSOLGMSIR-RTWAWAEBSA-N 2 0 458.569 3.841 20 0 JHADRP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)cc1 ZINC001311758454 1069534882 /nfs/dbraw/zinc/53/48/82/1069534882.db2.gz LWYMRGDDRPUWFK-HFZDXXHNSA-N 2 0 450.627 3.727 20 0 JHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001311821921 1069560871 /nfs/dbraw/zinc/56/08/71/1069560871.db2.gz GVAQWXBLCHABPJ-HOKHCIIBSA-N 2 0 467.633 3.673 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001306783527 1069582399 /nfs/dbraw/zinc/58/23/99/1069582399.db2.gz JNHZRPYYVGJQRX-NHCUHLMSSA-N 2 0 475.081 3.735 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306786993 1069590394 /nfs/dbraw/zinc/59/03/94/1069590394.db2.gz ZFFYQYJQEWMGGB-NOZRDPDXSA-N 2 0 468.690 3.778 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCCCCC2)C1 ZINC001306789444 1069595342 /nfs/dbraw/zinc/59/53/42/1069595342.db2.gz PZAIVABWHMMYPQ-OAQYLSRUSA-N 2 0 459.708 3.678 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001306798138 1069603596 /nfs/dbraw/zinc/60/35/96/1069603596.db2.gz NXKUYXJCIHAFKW-RTWAWAEBSA-N 2 0 458.626 3.964 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001306802755 1069610231 /nfs/dbraw/zinc/61/02/31/1069610231.db2.gz PVCJCCCRDAXRBS-QHCPKHFHSA-N 2 0 474.097 3.547 20 0 JHADRP CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CCCC[N@@H+]2CC)cc1OC ZINC001314177442 1069711276 /nfs/dbraw/zinc/71/12/76/1069711276.db2.gz RVAIYBZWAGKLDN-JOCHJYFZSA-N 2 0 470.662 3.757 20 0 JHADRP CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001314178188 1069713609 /nfs/dbraw/zinc/71/36/09/1069713609.db2.gz DFTIWSAKYDIZAB-RTWAWAEBSA-N 2 0 470.662 3.615 20 0 JHADRP CCC[NH+]1CCC(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001307030352 1069738612 /nfs/dbraw/zinc/73/86/12/1069738612.db2.gz BHHMKNWJUUQURE-UHFFFAOYSA-N 2 0 484.689 3.862 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(C(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001307048420 1069793977 /nfs/dbraw/zinc/79/39/77/1069793977.db2.gz BLUXPAWHVNOFEH-QHCPKHFHSA-N 2 0 467.706 3.923 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001307049567 1069798189 /nfs/dbraw/zinc/79/81/89/1069798189.db2.gz PENVBSJFGZXJCK-UHFFFAOYSA-N 2 0 482.677 3.501 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001307050927 1069802409 /nfs/dbraw/zinc/80/24/09/1069802409.db2.gz BQYPEGUXZNYLCY-SZPZYZBQSA-N 2 0 470.710 3.747 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001307054511 1069815881 /nfs/dbraw/zinc/81/58/81/1069815881.db2.gz XXRUCMLEAVVJJW-QFIPXVFZSA-N 2 0 470.710 3.715 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001307057455 1069834442 /nfs/dbraw/zinc/83/44/42/1069834442.db2.gz FWXBJPNBUNASKE-OAQYLSRUSA-N 2 0 459.708 3.819 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001307058916 1069841920 /nfs/dbraw/zinc/84/19/20/1069841920.db2.gz OPXYJSPTPLMGRZ-WOIUINJBSA-N 2 0 459.708 3.817 20 0 JHADRP CCOc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001314225211 1069889039 /nfs/dbraw/zinc/88/90/39/1069889039.db2.gz KXVDGVIPIJENDI-JOCHJYFZSA-N 2 0 470.662 3.518 20 0 JHADRP CN(C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312499069 1069974792 /nfs/dbraw/zinc/97/47/92/1069974792.db2.gz GMOPXYVQUADZOI-IZZNHLLZSA-N 2 0 450.627 3.584 20 0 JHADRP CN(C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001312633117 1070055018 /nfs/dbraw/zinc/05/50/18/1070055018.db2.gz KWABNPTYUHWEIX-UHFFFAOYSA-N 2 0 458.491 3.850 20 0 JHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c2ccccc2OC)CC1 ZINC001307642124 1070097775 /nfs/dbraw/zinc/09/77/75/1070097775.db2.gz KPKOSDLUJWBVJN-UXHICEINSA-N 2 0 456.606 3.846 20 0 JHADRP C[N@@H+](CCC(=O)Nc1cccc(Br)c1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001307761168 1070171914 /nfs/dbraw/zinc/17/19/14/1070171914.db2.gz PEOPCAVCPLXADG-UHFFFAOYSA-N 2 0 459.432 3.527 20 0 JHADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001313132650 1070262961 /nfs/dbraw/zinc/26/29/61/1070262961.db2.gz JRAGHZXCSFKMEN-AYRHNUGRSA-N 2 0 450.627 3.789 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001314399871 1070261299 /nfs/dbraw/zinc/26/12/99/1070261299.db2.gz HGFKPGTXTCFGGA-XZOQPEGZSA-N 2 0 454.663 3.566 20 0 JHADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001313137683 1070265880 /nfs/dbraw/zinc/26/58/80/1070265880.db2.gz FDUMHYIKOADIOQ-MZKUHISZSA-N 2 0 455.691 3.631 20 0 JHADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC001308226469 1070343024 /nfs/dbraw/zinc/34/30/24/1070343024.db2.gz SZNURKADUUYIQC-QGZVFWFLSA-N 2 0 457.924 3.640 20 0 JHADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(Cl)c1OCC(N)=O ZINC001308344171 1070359401 /nfs/dbraw/zinc/35/94/01/1070359401.db2.gz XRUVCOGSXVJKOE-KCZVDYSFSA-N 2 0 458.002 3.603 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[NH+]2CC)C[C@@H]1CC ZINC001314495584 1070414650 /nfs/dbraw/zinc/41/46/50/1070414650.db2.gz IRTPHVYCXCAXBD-BJKOFHAPSA-N 2 0 454.663 3.757 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1CC ZINC001314499155 1070426463 /nfs/dbraw/zinc/42/64/63/1070426463.db2.gz MEIUWDATVCBVLL-ZJZGAYNASA-N 2 0 476.710 3.577 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(N3CC[NH+](CC4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313572779 1070687474 /nfs/dbraw/zinc/68/74/74/1070687474.db2.gz BPBLTJUOESDGJL-UHFFFAOYSA-N 2 0 468.690 3.624 20 0 JHADRP C[NH+](C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC001314647070 1070748078 /nfs/dbraw/zinc/74/80/78/1070748078.db2.gz KPMUYKCIOSWSKR-GOSISDBHSA-N 2 0 490.450 3.852 20 0 JHADRP Cn1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCOCC[NH+](C)C)c2ccccc21 ZINC001314669523 1070808468 /nfs/dbraw/zinc/80/84/68/1070808468.db2.gz ADGQBIQOLQWWRJ-UHFFFAOYSA-N 2 0 481.689 3.573 20 0 JHADRP CC[N@@H+]1CCCN(S(=O)(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC001309570381 1070863628 /nfs/dbraw/zinc/86/36/28/1070863628.db2.gz KJQYXCZULUWRAX-DCEDVJGZSA-N 2 0 459.631 3.540 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccsc1 ZINC001313666873 1070887504 /nfs/dbraw/zinc/88/75/04/1070887504.db2.gz YFKLZLUBSOLJGK-TUACAJSNSA-N 2 0 484.718 3.984 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccsc1 ZINC001313675204 1070915038 /nfs/dbraw/zinc/91/50/38/1070915038.db2.gz YALZUPNKPFLBLU-OAQYLSRUSA-N 2 0 470.691 3.744 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313691867 1070952752 /nfs/dbraw/zinc/95/27/52/1070952752.db2.gz ZJZCTZAZVGDPAM-SZPZYZBQSA-N 2 0 496.704 3.604 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313694202 1070956560 /nfs/dbraw/zinc/95/65/60/1070956560.db2.gz QZSVMDTWQGYDKA-JOCHJYFZSA-N 2 0 453.679 3.839 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001313703502 1070986836 /nfs/dbraw/zinc/98/68/36/1070986836.db2.gz XREWONFLYWABGI-MSOLQXFVSA-N 2 0 493.494 3.834 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001313711170 1071005549 /nfs/dbraw/zinc/00/55/49/1071005549.db2.gz MZGXDUPAERIXKO-DEOSSOPVSA-N 2 0 488.124 3.935 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+]2CCCC[C@H]2C1)C(C)C ZINC001313802243 1071208319 /nfs/dbraw/zinc/20/83/19/1071208319.db2.gz CVQUHPAMNQAEKJ-FQEVSTJZSA-N 2 0 462.589 3.951 20 0 JHADRP CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C)CCC(F)(F)F ZINC001313810751 1071242657 /nfs/dbraw/zinc/24/26/57/1071242657.db2.gz WQTYPIXGKNMOHG-AEFFLSMTSA-N 2 0 485.986 3.941 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C)C(C)C)C[C@@H]1C ZINC001313864606 1071387597 /nfs/dbraw/zinc/38/75/97/1071387597.db2.gz ZDCTWUHFVHDJAU-ROUUACIJSA-N 2 0 463.468 3.967 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866905 1071396992 /nfs/dbraw/zinc/39/69/92/1071396992.db2.gz HRDNRBGTGWGTPW-XZOQPEGZSA-N 2 0 468.690 3.941 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313868285 1071403326 /nfs/dbraw/zinc/40/33/26/1071403326.db2.gz NJBSCPSEGAZTHK-HKBOAZHASA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001313871120 1071415889 /nfs/dbraw/zinc/41/58/89/1071415889.db2.gz XBBKREYABZDSPE-STSQHVNTSA-N 2 0 485.677 3.995 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313877434 1071441444 /nfs/dbraw/zinc/44/14/44/1071441444.db2.gz TZXMLXWULVFOKY-PCCBWWKXSA-N 2 0 490.643 3.567 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001313878798 1071445852 /nfs/dbraw/zinc/44/58/52/1071445852.db2.gz VTSRGOGCBCVFDN-PKTZIBPZSA-N 2 0 454.663 3.960 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001313878796 1071446058 /nfs/dbraw/zinc/44/60/58/1071446058.db2.gz VTSRGOGCBCVFDN-DHIUTWEWSA-N 2 0 454.663 3.960 20 0 JHADRP CC[NH+]1CCC(CCn2c(-c3ccc(OC)cc3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001313882152 1071457542 /nfs/dbraw/zinc/45/75/42/1071457542.db2.gz VZRQLUGWFLDRDV-UHFFFAOYSA-N 2 0 454.663 3.854 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001313881755 1071455836 /nfs/dbraw/zinc/45/58/36/1071455836.db2.gz CRJICTLTBFNOAJ-AQCRLBJHSA-N 2 0 489.709 3.752 20 0 JHADRP CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313884064 1071463441 /nfs/dbraw/zinc/46/34/41/1071463441.db2.gz YSXHJBKBFYNPSV-UHFFFAOYSA-N 2 0 468.690 3.920 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001313897133 1071501039 /nfs/dbraw/zinc/50/10/39/1071501039.db2.gz UHGWXRUMYOFPJZ-HKUYNNGSSA-N 2 0 481.472 3.893 20 0 JHADRP CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313905729 1071521919 /nfs/dbraw/zinc/52/19/19/1071521919.db2.gz QYPQVNYDMHHNLC-FQEVSTJZSA-N 2 0 462.589 3.951 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313925385 1071573529 /nfs/dbraw/zinc/57/35/29/1071573529.db2.gz PHRUQGFHDBHPOT-XUVXKRRUSA-N 2 0 492.087 3.683 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001313928342 1071583721 /nfs/dbraw/zinc/58/37/21/1071583721.db2.gz ATMREGRGCPORSY-REWPJTCUSA-N 2 0 454.663 3.952 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC001313929575 1071587232 /nfs/dbraw/zinc/58/72/32/1071587232.db2.gz OZEQQGQIZDCSTN-DEOSSOPVSA-N 2 0 487.781 3.985 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001313933222 1071597051 /nfs/dbraw/zinc/59/70/51/1071597051.db2.gz NUGZIRXOFRHRFV-ZWKOTPCHSA-N 2 0 491.478 3.731 20 0 JHADRP CC[N@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC)[C@H](C)C1)C1CC1 ZINC001313934199 1071601184 /nfs/dbraw/zinc/60/11/84/1071601184.db2.gz QLMFSGWRLASCCP-QGZVFWFLSA-N 2 0 461.452 3.722 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941392 1071616920 /nfs/dbraw/zinc/61/69/20/1071616920.db2.gz CGRJLQZWZRYUEE-VJBWXMMDSA-N 2 0 484.689 3.584 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941390 1071617109 /nfs/dbraw/zinc/61/71/09/1071617109.db2.gz CGRJLQZWZRYUEE-RJGXRXQPSA-N 2 0 484.689 3.584 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC([NH+](CC)CC)CC3)n2CC(C)(C)[NH+]2CCCCC2)CCOC1 ZINC001314113183 1072008683 /nfs/dbraw/zinc/00/86/83/1072008683.db2.gz CZPCNJBPDBVPOC-AREMUKBSSA-N 2 0 476.710 3.505 20 0 JHADRP CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC001305930777 1068229981 /nfs/dbraw/zinc/22/99/81/1068229981.db2.gz YCXQGLZMLDBLTP-HWBMXIPRSA-N 2 0 468.690 3.783 20 0 JHADRP CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC001305930776 1068230403 /nfs/dbraw/zinc/23/04/03/1068230403.db2.gz YCXQGLZMLDBLTP-FBLLAGFSSA-N 2 0 468.690 3.783 20 0 JHADRP CC[C@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001306322435 1068752948 /nfs/dbraw/zinc/75/29/48/1068752948.db2.gz GXSQTDJGSAMHCY-QHCPKHFHSA-N 2 0 470.710 3.715 20 0 JHADRP CC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC001306391025 1068830367 /nfs/dbraw/zinc/83/03/67/1068830367.db2.gz VMNVFBAFCPSVJK-ZCYQVOJMSA-N 2 0 498.716 3.968 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@@H](C)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306405625 1068874456 /nfs/dbraw/zinc/87/44/56/1068874456.db2.gz FMRKZTHSXQQXFU-SFHLNBCPSA-N 2 0 474.719 3.629 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC001306408646 1068886534 /nfs/dbraw/zinc/88/65/34/1068886534.db2.gz CNDXUPXOELAVTP-HSZRJFAPSA-N 2 0 454.663 3.757 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306410141 1068890338 /nfs/dbraw/zinc/89/03/38/1068890338.db2.gz CYHIWYCYGZHQCQ-YPAWHYETSA-N 2 0 472.653 3.752 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306423979 1068917604 /nfs/dbraw/zinc/91/76/04/1068917604.db2.gz NAVVZQLXWDQCPP-ZDXQCDESSA-N 2 0 483.705 3.564 20 0 JHADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001306597676 1069273177 /nfs/dbraw/zinc/27/31/77/1069273177.db2.gz AZGIWVADZOFUOP-UHFFFAOYSA-N 2 0 454.018 3.687 20 0 JHADRP Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001306597851 1069273209 /nfs/dbraw/zinc/27/32/09/1069273209.db2.gz CYUGMVNEUFFGPX-UHFFFAOYSA-N 2 0 453.450 3.755 20 0 JHADRP CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164659996 719353056 /nfs/dbraw/zinc/35/30/56/719353056.db2.gz UDUPBGKYMYAMGF-UHFFFAOYSA-N 2 0 471.653 3.704 20 0 JHADRP COCc1nn(-c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3)c2c1C[NH2+]C2 ZINC001164713791 720079275 /nfs/dbraw/zinc/07/92/75/720079275.db2.gz UJLXQPHJFLKJRG-UHFFFAOYSA-N 2 0 465.985 3.692 20 0 JHADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164842347 720707304 /nfs/dbraw/zinc/70/73/04/720707304.db2.gz YRZAHDKIDQKZML-DEOSSOPVSA-N 2 0 450.627 3.816 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)COCc3cnc(-c5ccccc5)nc34)c2)CC1 ZINC001164928827 721899058 /nfs/dbraw/zinc/89/90/58/721899058.db2.gz QNIACKSQDWNVLI-MHZLTWQESA-N 2 0 457.578 3.690 20 0 JHADRP CC(C)CN(c1ccc(C[N@H+](C)C2CC2)cn1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164967871 722078587 /nfs/dbraw/zinc/07/85/87/722078587.db2.gz LRWKNKLELLWLEM-UHFFFAOYSA-N 2 0 476.669 3.789 20 0 JHADRP CC(C)CN(c1ncccc1C[NH+]1CCCC1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164967952 722078683 /nfs/dbraw/zinc/07/86/83/722078683.db2.gz NHWMTTPVJAURNG-UHFFFAOYSA-N 2 0 476.669 3.791 20 0 JHADRP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001311370781 1069348706 /nfs/dbraw/zinc/34/87/06/1069348706.db2.gz VHDCBGVXGTZUTJ-FTJBHMTQSA-N 2 0 455.691 3.630 20 0 JHADRP CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306648488 1069359954 /nfs/dbraw/zinc/35/99/54/1069359954.db2.gz RHJXYLLWMUEIRN-VWNXMTODSA-N 2 0 468.690 3.923 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001306677715 1069401557 /nfs/dbraw/zinc/40/15/57/1069401557.db2.gz BGCLOXIFECBYJO-RDGATRHJSA-N 2 0 478.751 3.558 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001306677735 1069401758 /nfs/dbraw/zinc/40/17/58/1069401758.db2.gz BQIMIWAVOQZQJA-JOCHJYFZSA-N 2 0 455.695 3.964 20 0 JHADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001311495381 1069405518 /nfs/dbraw/zinc/40/55/18/1069405518.db2.gz TUSNZFQUEBJFSX-QHCPKHFHSA-N 2 0 455.691 3.620 20 0 JHADRP CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001306680863 1069408317 /nfs/dbraw/zinc/40/83/17/1069408317.db2.gz UVSQZBAMYUBVOP-XMMPIXPASA-N 2 0 481.689 3.944 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001306681243 1069409848 /nfs/dbraw/zinc/40/98/48/1069409848.db2.gz UNMQJXKANNCTRL-PKTZIBPZSA-N 2 0 487.737 3.583 20 0 JHADRP CCCC[N@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001306686271 1069422506 /nfs/dbraw/zinc/42/25/06/1069422506.db2.gz CQKTWBIDZBEGQR-FPOVZHCZSA-N 2 0 461.054 3.915 20 0 JHADRP C[NH+](C)C1(CNC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CCOCC1 ZINC001311538313 1069430307 /nfs/dbraw/zinc/43/03/07/1069430307.db2.gz IVMYZILZENJHOA-UHFFFAOYSA-N 2 0 450.627 3.859 20 0 JHADRP COc1ccccc1[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001311574368 1069445237 /nfs/dbraw/zinc/44/52/37/1069445237.db2.gz RVGPBBNUDYUJMP-NOZRDPDXSA-N 2 0 450.627 3.996 20 0 JHADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306722727 1069461068 /nfs/dbraw/zinc/46/10/68/1069461068.db2.gz NDPSLMZCGVFSSS-SMIHKQSGSA-N 2 0 460.711 3.995 20 0 JHADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718950 1069517767 /nfs/dbraw/zinc/51/77/67/1069517767.db2.gz MMNCMJSOLGMSIR-SFTDATJTSA-N 2 0 458.569 3.841 20 0 JHADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001311767128 1069539171 /nfs/dbraw/zinc/53/91/71/1069539171.db2.gz ZKBIVHSNZVQLAF-ZONZVBGPSA-N 2 0 464.654 3.968 20 0 JHADRP C[C@H](NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311820554 1069559925 /nfs/dbraw/zinc/55/99/25/1069559925.db2.gz SMAFPFGKTSJYAY-NRFANRHFSA-N 2 0 459.654 3.984 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCC2)C1 ZINC001306778695 1069574353 /nfs/dbraw/zinc/57/43/53/1069574353.db2.gz AVQRSUOIUWULLQ-GOSISDBHSA-N 2 0 492.510 3.699 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306786293 1069588729 /nfs/dbraw/zinc/58/87/29/1069588729.db2.gz UNTGMTXPHWAZJA-OAQYLSRUSA-N 2 0 486.730 3.949 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001306802186 1069608160 /nfs/dbraw/zinc/60/81/60/1069608160.db2.gz HLRUBENIYAKCBJ-IAGOWNOFSA-N 2 0 466.472 3.687 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC001306806401 1069618625 /nfs/dbraw/zinc/61/86/25/1069618625.db2.gz UMTLBWMSYRCMEN-UHFFFAOYSA-N 2 0 453.610 3.857 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001307046208 1069784501 /nfs/dbraw/zinc/78/45/01/1069784501.db2.gz SSQNCVPYWJMXJK-KRWDZBQOSA-N 2 0 493.494 3.977 20 0 JHADRP CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001312219410 1069790362 /nfs/dbraw/zinc/79/03/62/1069790362.db2.gz VXDCADGSGGZSHE-LOSJGSFVSA-N 2 0 456.606 3.579 20 0 JHADRP CCC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307460005 1069997856 /nfs/dbraw/zinc/99/78/56/1069997856.db2.gz ANFVXRGXLHSMRN-HSZRJFAPSA-N 2 0 458.647 3.620 20 0 JHADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC001307577380 1070062227 /nfs/dbraw/zinc/06/22/27/1070062227.db2.gz WMLNSLWMYVPJCW-UHFFFAOYSA-N 2 0 451.453 3.516 20 0 JHADRP CCOCc1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314343919 1070147318 /nfs/dbraw/zinc/14/73/18/1070147318.db2.gz LVUYXLSWQMJHRG-QHCPKHFHSA-N 2 0 454.663 3.790 20 0 JHADRP CCOCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001314347659 1070155959 /nfs/dbraw/zinc/15/59/59/1070155959.db2.gz ZERMBLAUPCMSNN-UHFFFAOYSA-N 2 0 454.663 3.816 20 0 JHADRP COC(=O)c1cc(C[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC001307885419 1070226030 /nfs/dbraw/zinc/22/60/30/1070226030.db2.gz OKZQVDABRHBGDW-KDURUIRLSA-N 2 0 454.567 3.501 20 0 JHADRP CCOCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001314384159 1070228191 /nfs/dbraw/zinc/22/81/91/1070228191.db2.gz BJZIDMOYVZHBBT-JOCHJYFZSA-N 2 0 470.662 3.581 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC001313074649 1070241896 /nfs/dbraw/zinc/24/18/96/1070241896.db2.gz NWLPXTMEHABZEN-WKOQKXSESA-N 2 0 451.453 3.910 20 0 JHADRP CCOCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314396871 1070256444 /nfs/dbraw/zinc/25/64/44/1070256444.db2.gz OUXRQIQAPBYVSQ-UHFFFAOYSA-N 2 0 454.663 3.710 20 0 JHADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001313132652 1070262744 /nfs/dbraw/zinc/26/27/44/1070262744.db2.gz JRAGHZXCSFKMEN-DMTNHVFBSA-N 2 0 450.627 3.789 20 0 JHADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CCCCC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001313138479 1070266602 /nfs/dbraw/zinc/26/66/02/1070266602.db2.gz JFAYUYSUDQOYHL-RUZDIDTESA-N 2 0 455.691 3.631 20 0 JHADRP C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)NC3CCN(c4cc[nH+]cc4)CC3)cc2)C[C@H](C)O1 ZINC001313409617 1070350578 /nfs/dbraw/zinc/35/05/78/1070350578.db2.gz SRDYZTGXDNSVOF-OYRHEFFESA-N 2 0 451.615 3.501 20 0 JHADRP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001308503263 1070382641 /nfs/dbraw/zinc/38/26/41/1070382641.db2.gz QKAICIFDTQMDDS-UHFFFAOYSA-N 2 0 451.032 3.640 20 0 JHADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(Br)cc1OCCCO ZINC001308793474 1070438803 /nfs/dbraw/zinc/43/88/03/1070438803.db2.gz QFYBXXJZOWLDBS-BWDFOLQRSA-N 2 0 455.437 3.894 20 0 JHADRP C[NH+](C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653581 1070766521 /nfs/dbraw/zinc/76/65/21/1070766521.db2.gz ZZRYCWPQBGKZPO-GGAORHGYSA-N 2 0 472.653 3.782 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001314654227 1070768197 /nfs/dbraw/zinc/76/81/97/1070768197.db2.gz JLBUCWOLWKUAFP-QHCPKHFHSA-N 2 0 454.663 3.550 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC001314656263 1070774610 /nfs/dbraw/zinc/77/46/10/1070774610.db2.gz WTUXVBRREYUECT-QFIPXVFZSA-N 2 0 450.631 3.880 20 0 JHADRP C[NH+](C)CCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC001314672855 1070818324 /nfs/dbraw/zinc/81/83/24/1070818324.db2.gz WPAKKXWPPWUFPE-UHFFFAOYSA-N 2 0 491.684 3.887 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001313661262 1070867793 /nfs/dbraw/zinc/86/77/93/1070867793.db2.gz WGMPJRGUDZZVKF-HSZRJFAPSA-N 2 0 497.732 3.679 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC001313663704 1070873594 /nfs/dbraw/zinc/87/35/94/1070873594.db2.gz GSJZEDRKFMVDLE-RUZDIDTESA-N 2 0 495.716 3.954 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001313667213 1070887917 /nfs/dbraw/zinc/88/79/17/1070887917.db2.gz KETGBSBFTPNYSB-QHCPKHFHSA-N 2 0 499.723 3.733 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C(C)C)CC1)c1ccco1 ZINC001313673417 1070907253 /nfs/dbraw/zinc/90/72/53/1070907253.db2.gz QZVPYGZALIFECG-JOCHJYFZSA-N 2 0 451.619 3.855 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001313693512 1070954749 /nfs/dbraw/zinc/95/47/49/1070954749.db2.gz AKJTWRQIRXXERM-NFBKMPQASA-N 2 0 458.626 3.535 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001313710650 1071004752 /nfs/dbraw/zinc/00/47/52/1071004752.db2.gz BIABIJPFSORIQU-NFBKMPQASA-N 2 0 470.662 3.547 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001313711248 1071006029 /nfs/dbraw/zinc/00/60/29/1071006029.db2.gz GAFWQGMOEYRQGR-HSZRJFAPSA-N 2 0 453.679 3.697 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001313713771 1071011321 /nfs/dbraw/zinc/01/13/21/1071011321.db2.gz UKHJHDUSIQZQDO-QHCPKHFHSA-N 2 0 453.679 3.697 20 0 JHADRP CC[NH+](CC)CCCn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001313713937 1071011354 /nfs/dbraw/zinc/01/13/54/1071011354.db2.gz FJELXPHMCYMXKJ-NRFANRHFSA-N 2 0 454.663 3.996 20 0 JHADRP CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001313718434 1071018810 /nfs/dbraw/zinc/01/88/10/1071018810.db2.gz JKGGVFRNJXHHHR-DNQXCXABSA-N 2 0 460.711 3.996 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001313725428 1071032531 /nfs/dbraw/zinc/03/25/31/1071032531.db2.gz IXSWOJFXOWGJQN-ZJSXRUAMSA-N 2 0 454.663 3.522 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001313725555 1071033152 /nfs/dbraw/zinc/03/31/52/1071033152.db2.gz LMUNHURVPCJGQO-VWNXMTODSA-N 2 0 454.663 3.533 20 0 JHADRP CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC001313803567 1071212065 /nfs/dbraw/zinc/21/20/65/1071212065.db2.gz SEDGDMKRFCICLS-IBGZPJMESA-N 2 0 478.483 3.831 20 0 JHADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH+](C)C ZINC001310319677 1071301966 /nfs/dbraw/zinc/30/19/66/1071301966.db2.gz LRCIFBGOISJTKS-QZTJIDSGSA-N 2 0 458.006 3.795 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313858899 1071360846 /nfs/dbraw/zinc/36/08/46/1071360846.db2.gz CKMLAXMGZQIIQW-ACRUOGEOSA-N 2 0 458.626 3.962 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2CCC[C@H]2CO)C[C@@H]1C ZINC001313859154 1071362685 /nfs/dbraw/zinc/36/26/85/1071362685.db2.gz DYDLSGZBKVTIQQ-JTAQYXEDSA-N 2 0 475.081 3.754 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313860824 1071372293 /nfs/dbraw/zinc/37/22/93/1071372293.db2.gz OPVFDGKMTLNWGE-WOVHNISZSA-N 2 0 499.729 3.503 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313863348 1071381650 /nfs/dbraw/zinc/38/16/50/1071381650.db2.gz DBRRFDVMGDWNMP-SXWKCWPCSA-N 2 0 475.081 3.874 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001313862718 1071378044 /nfs/dbraw/zinc/37/80/44/1071378044.db2.gz QQPVXWQDBDAJKX-AABGKKOBSA-N 2 0 476.666 3.525 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313863349 1071381215 /nfs/dbraw/zinc/38/12/15/1071381215.db2.gz DBRRFDVMGDWNMP-ZRCGQRJVSA-N 2 0 475.081 3.874 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001313867070 1071397360 /nfs/dbraw/zinc/39/73/60/1071397360.db2.gz JFWKFDPDHWOKJI-DNQXCXABSA-N 2 0 481.733 3.998 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313874335 1071427869 /nfs/dbraw/zinc/42/78/69/1071427869.db2.gz NNQDTGTYTKOACI-PKTZIBPZSA-N 2 0 453.679 3.839 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313874280 1071427950 /nfs/dbraw/zinc/42/79/50/1071427950.db2.gz OLDXICNOYCZGHE-GIWBLDEGSA-N 2 0 454.663 3.993 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313875311 1071432635 /nfs/dbraw/zinc/43/26/35/1071432635.db2.gz PVIKPYMJQIEMJX-VXKWHMMOSA-N 2 0 453.679 3.837 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313875313 1071433627 /nfs/dbraw/zinc/43/36/27/1071433627.db2.gz PVIKPYMJQIEMJX-YADHBBJMSA-N 2 0 453.679 3.837 20 0 JHADRP CC[NH+]1CCC(CCn2c(C(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC001313878545 1071445338 /nfs/dbraw/zinc/44/53/38/1071445338.db2.gz YTBUQECGLLEWFI-UHFFFAOYSA-N 2 0 460.711 3.852 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313878931 1071446858 /nfs/dbraw/zinc/44/68/58/1071446858.db2.gz WITVUJXYGZWPCK-ZEQRLZLVSA-N 2 0 498.716 3.628 20 0 JHADRP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313879266 1071448436 /nfs/dbraw/zinc/44/84/36/1071448436.db2.gz ZSNWATMVZIYPGK-FUDKSRODSA-N 2 0 454.663 3.671 20 0 JHADRP CC[NH+]1CCC(CCn2c(-c3cccn3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313879688 1071450617 /nfs/dbraw/zinc/45/06/17/1071450617.db2.gz AKAPWIDATHZARU-UHFFFAOYSA-N 2 0 455.695 3.964 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313883118 1071460339 /nfs/dbraw/zinc/46/03/39/1071460339.db2.gz IGCMVDORTXRBKL-HKBOAZHASA-N 2 0 458.626 3.647 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001313894905 1071494871 /nfs/dbraw/zinc/49/48/71/1071494871.db2.gz JOTALOMPTSEEOO-NRFANRHFSA-N 2 0 454.663 3.530 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313904698 1071518948 /nfs/dbraw/zinc/51/89/48/1071518948.db2.gz KSVCTYJEOMRGCR-HXUWFJFHSA-N 2 0 492.510 3.887 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919436 1071557121 /nfs/dbraw/zinc/55/71/21/1071557121.db2.gz BMIHBPFGFYRTGF-DNQXCXABSA-N 2 0 473.754 3.908 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927398 1071579937 /nfs/dbraw/zinc/57/99/37/1071579937.db2.gz KIZHCOOYKXXANZ-DNQXCXABSA-N 2 0 481.733 3.702 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001313928340 1071583847 /nfs/dbraw/zinc/58/38/47/1071583847.db2.gz ATMREGRGCPORSY-NZQKXSOJSA-N 2 0 454.663 3.952 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313933701 1071599228 /nfs/dbraw/zinc/59/92/28/1071599228.db2.gz MOMLYNBESMYYBD-QGZVFWFLSA-N 2 0 478.483 3.831 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313934804 1071603561 /nfs/dbraw/zinc/60/35/61/1071603561.db2.gz TZPCDDWFKJHUDM-QFIPXVFZSA-N 2 0 481.689 3.800 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933911 1071599735 /nfs/dbraw/zinc/59/97/35/1071599735.db2.gz OPNINGBAMRQFBT-KRWDZBQOSA-N 2 0 478.483 3.688 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313936453 1071607802 /nfs/dbraw/zinc/60/78/02/1071607802.db2.gz OECFKZJEEVIPAY-ICSRJNTNSA-N 2 0 479.044 3.625 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313942562 1071620795 /nfs/dbraw/zinc/62/07/95/1071620795.db2.gz KAAGIYXPJBITBY-DHIUTWEWSA-N 2 0 454.663 3.552 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC001313946396 1071628479 /nfs/dbraw/zinc/62/84/79/1071628479.db2.gz RKGYRVBLFKSWGF-DHLKQENFSA-N 2 0 461.658 3.877 20 0 JHADRP CC[NH+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313950364 1071638095 /nfs/dbraw/zinc/63/80/95/1071638095.db2.gz VAJOILWXELSGDC-PZJWPPBQSA-N 2 0 461.054 3.915 20 0 JHADRP CC[NH+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313950360 1071638165 /nfs/dbraw/zinc/63/81/65/1071638165.db2.gz VAJOILWXELSGDC-CTNGQTDRSA-N 2 0 461.054 3.915 20 0 JHADRP CCN1CC[NH+](CCCn2c(-c3ccccc3Cl)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001313957990 1071661858 /nfs/dbraw/zinc/66/18/58/1071661858.db2.gz MCEOKGIWOUIHGN-UHFFFAOYSA-N 2 0 474.097 3.547 20 0 JHADRP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCC[N@H+](C)C2CCCCC2)CCOC1 ZINC001314126522 1072035604 /nfs/dbraw/zinc/03/56/04/1072035604.db2.gz RMSGOECRRXSDCM-AREMUKBSSA-N 2 0 476.710 3.505 20 0 JHADRP CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC001305930779 1068230112 /nfs/dbraw/zinc/23/01/12/1068230112.db2.gz YCXQGLZMLDBLTP-WRALFONMSA-N 2 0 468.690 3.783 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001305985982 1068336735 /nfs/dbraw/zinc/33/67/35/1068336735.db2.gz CTMSMGTTYLHRRR-HSZRJFAPSA-N 2 0 498.716 3.841 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001306420339 1068912868 /nfs/dbraw/zinc/91/28/68/1068912868.db2.gz WAAZSEZXHZHVQR-GOTSBHOMSA-N 2 0 484.689 3.621 20 0 JHADRP CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306427380 1068922612 /nfs/dbraw/zinc/92/26/12/1068922612.db2.gz PNFVKALOOGRTAS-DSITVLBTSA-N 2 0 484.689 3.678 20 0 JHADRP CCC[C@@H]1CN(c2nnc(C)n2C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCOC ZINC001306615137 1069295453 /nfs/dbraw/zinc/29/54/53/1069295453.db2.gz DRBLRKHFTYUIJO-IZZNHLLZSA-N 2 0 468.690 3.826 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306621275 1069309452 /nfs/dbraw/zinc/30/94/52/1069309452.db2.gz XOXVYZPIIZQGPI-QZNHQXDQSA-N 2 0 472.678 3.904 20 0 JHADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164616476 719011826 /nfs/dbraw/zinc/01/18/26/719011826.db2.gz KTFWPCMRZOUOIH-GBXCKJPGSA-N 2 0 495.014 3.806 20 0 JHADRP c1cncc(CN(c2ccc3nc(C4CC[NH2+]CC4)nn3c2)c2ncccc2C[NH+]2CCCC2)c1 ZINC001164630039 719138345 /nfs/dbraw/zinc/13/83/45/719138345.db2.gz FPWPTVORNGKIOC-UHFFFAOYSA-N 2 0 468.609 3.920 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1 ZINC001164843457 720744070 /nfs/dbraw/zinc/74/40/70/720744070.db2.gz KCWKEWKEYAALSN-HSZRJFAPSA-N 2 0 457.626 3.986 20 0 JHADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755858 720881679 /nfs/dbraw/zinc/88/16/79/720881679.db2.gz ZDJNNFKSVXUJFX-KCWPFWIISA-N 2 0 497.087 3.747 20 0 JHADRP c1ccc(C[NH+]2CCc3nc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164869452 721071090 /nfs/dbraw/zinc/07/10/90/721071090.db2.gz STYOVJIPQXFJDU-FTJBHMTQSA-N 2 0 455.606 3.515 20 0 JHADRP c1ccc(C[NH+]2CCc3nc(N4CC[N@@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164869457 721071360 /nfs/dbraw/zinc/07/13/60/721071360.db2.gz STYOVJIPQXFJDU-UIOOFZCWSA-N 2 0 455.606 3.515 20 0 JHADRP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866721 721195316 /nfs/dbraw/zinc/19/53/16/721195316.db2.gz CHJHCRVCZHDANG-LEWJYISDSA-N 2 0 475.971 3.531 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@]4(CCC[C@H]4COCc4ccncc4)C3)c2)CC1 ZINC001164781918 721386851 /nfs/dbraw/zinc/38/68/51/721386851.db2.gz KXDRKZHUHVCGFE-NVQXNPDNSA-N 2 0 452.599 3.542 20 0 JHADRP Cc1nc(COC[C@@H]2CCC[C@]23CN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CCO3)cs1 ZINC001164782356 721445611 /nfs/dbraw/zinc/44/56/11/721445611.db2.gz JASZCEPCNXOJRL-CPJSRVTESA-N 2 0 472.655 3.912 20 0 JHADRP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164924288 721875676 /nfs/dbraw/zinc/87/56/76/721875676.db2.gz KPCQZRDOIQVVAW-JWQCQUIFSA-N 2 0 496.099 3.971 20 0 JHADRP C[NH+](C)[C@@H]1CCCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)C1 ZINC001165037845 721894892 /nfs/dbraw/zinc/89/48/92/721894892.db2.gz ZOKWIKYOOFZPQJ-LJQANCHMSA-N 2 0 455.002 3.927 20 0 JHADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357380 1069340858 /nfs/dbraw/zinc/34/08/58/1069340858.db2.gz HHBJBCYMGXGGTH-BVAGGSTKSA-N 2 0 455.691 3.620 20 0 JHADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC001311379584 1069353290 /nfs/dbraw/zinc/35/32/90/1069353290.db2.gz DGGRXBRHOZORLW-DNQXCXABSA-N 2 0 455.691 3.849 20 0 JHADRP CCCC[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001306681770 1069411122 /nfs/dbraw/zinc/41/11/22/1069411122.db2.gz UATPGGKBIQTBHO-JAXLGGSGSA-N 2 0 458.626 3.962 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC001306683762 1069418081 /nfs/dbraw/zinc/41/80/81/1069418081.db2.gz CQLDPLOMRYCMFZ-UHFFFAOYSA-N 2 0 465.621 3.923 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001306722426 1069460503 /nfs/dbraw/zinc/46/05/03/1069460503.db2.gz LBGBZFBDJMYINL-WXFUMESZSA-N 2 0 459.727 3.662 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306722725 1069460980 /nfs/dbraw/zinc/46/09/80/1069460980.db2.gz NDPSLMZCGVFSSS-RBZQAINGSA-N 2 0 460.711 3.995 20 0 JHADRP CC[NH+](CC)[C@H](CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC001311719427 1069518399 /nfs/dbraw/zinc/51/83/99/1069518399.db2.gz USDTWYZHZPDJBO-HXUWFJFHSA-N 2 0 458.569 3.623 20 0 JHADRP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819245 1069559392 /nfs/dbraw/zinc/55/93/92/1069559392.db2.gz HSGLXZZLGMBGNM-NZQKXSOJSA-N 2 0 453.606 3.554 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001306781148 1069578895 /nfs/dbraw/zinc/57/88/95/1069578895.db2.gz HDJVNHOEDGCZQO-QPTUXGOLSA-N 2 0 460.711 3.851 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCSCC2)C1 ZINC001306781122 1069578314 /nfs/dbraw/zinc/57/83/14/1069578314.db2.gz RVKJQPLIPIQECG-IBGZPJMESA-N 2 0 463.095 3.815 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001306784910 1069585976 /nfs/dbraw/zinc/58/59/76/1069585976.db2.gz OZQXIQXEJZSQOA-TZIWHRDSSA-N 2 0 453.660 3.873 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001306787380 1069591222 /nfs/dbraw/zinc/59/12/22/1069591222.db2.gz CCCHFHVTJCVGEX-QHCPKHFHSA-N 2 0 453.679 3.956 20 0 JHADRP CCC[N@H+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC001306805303 1069615763 /nfs/dbraw/zinc/61/57/63/1069615763.db2.gz XVDWIIJEUDNZHI-UPVQGACJSA-N 2 0 454.663 3.962 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2ccccc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001306806737 1069619473 /nfs/dbraw/zinc/61/94/73/1069619473.db2.gz YICKXUBHEHUBLI-UHFFFAOYSA-N 2 0 485.696 3.811 20 0 JHADRP CC[NH+]1CCC(N2CCCN(C(=O)NCC3([NH2+][C@@H](C)c4ccccc4)CCCC3)CC2)CC1 ZINC001311997581 1069658815 /nfs/dbraw/zinc/65/88/15/1069658815.db2.gz YUSHHDMSFQTPLZ-QHCPKHFHSA-N 2 0 455.691 3.852 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001307046209 1069784441 /nfs/dbraw/zinc/78/44/41/1069784441.db2.gz SSQNCVPYWJMXJK-QGZVFWFLSA-N 2 0 493.494 3.977 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001307046944 1069787706 /nfs/dbraw/zinc/78/77/06/1069787706.db2.gz UJNRYCAGVGWHJC-FGZHOGPDSA-N 2 0 454.663 3.682 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001307050022 1069799470 /nfs/dbraw/zinc/79/94/70/1069799470.db2.gz QNPIRAAYNJZAJU-UHFFFAOYSA-N 2 0 481.733 3.838 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001307051128 1069802829 /nfs/dbraw/zinc/80/28/29/1069802829.db2.gz XPCWHKZXPHJTKK-CAVYSCNFSA-N 2 0 490.737 3.751 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001307052071 1069806507 /nfs/dbraw/zinc/80/65/07/1069806507.db2.gz XXODMVNXGIVICU-RBZQAINGSA-N 2 0 487.737 3.772 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001307054510 1069816149 /nfs/dbraw/zinc/81/61/49/1069816149.db2.gz XXRUCMLEAVVJJW-JOCHJYFZSA-N 2 0 470.710 3.715 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001307054303 1069816501 /nfs/dbraw/zinc/81/65/01/1069816501.db2.gz XTAQZLBAGXVWSX-IBGZPJMESA-N 2 0 459.708 3.676 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001307056725 1069829946 /nfs/dbraw/zinc/82/99/46/1069829946.db2.gz FMBWFKXFQWBPJW-DHIUTWEWSA-N 2 0 460.711 3.680 20 0 JHADRP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC001312290234 1069841560 /nfs/dbraw/zinc/84/15/60/1069841560.db2.gz ZMTPIAIIERXNBM-HBMCJLEFSA-N 2 0 457.446 3.663 20 0 JHADRP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314219390 1069862268 /nfs/dbraw/zinc/86/22/68/1069862268.db2.gz YDYQXFCIVFITCV-VABKMULXSA-N 2 0 484.689 3.907 20 0 JHADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@]2(C)C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCO1 ZINC001312499576 1069975771 /nfs/dbraw/zinc/97/57/71/1069975771.db2.gz KJGCVYQGMGSPGK-RXWNPYQGSA-N 2 0 464.654 3.845 20 0 JHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001307594554 1070071096 /nfs/dbraw/zinc/07/10/96/1070071096.db2.gz WHOUNLXRHUBRDW-LIKDZFNVSA-N 2 0 453.602 3.883 20 0 JHADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001307594555 1070070568 /nfs/dbraw/zinc/07/05/68/1070070568.db2.gz WHOUNLXRHUBRDW-RFLWCCGPSA-N 2 0 453.602 3.883 20 0 JHADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c2ccccc2OC)CC1 ZINC001307642127 1070097576 /nfs/dbraw/zinc/09/75/76/1070097576.db2.gz KPKOSDLUJWBVJN-WOJBJXKFSA-N 2 0 456.606 3.846 20 0 JHADRP CCOCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314342527 1070144111 /nfs/dbraw/zinc/14/41/11/1070144111.db2.gz HIARCCKTIXENDL-QFIPXVFZSA-N 2 0 458.651 3.803 20 0 JHADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001313082290 1070244229 /nfs/dbraw/zinc/24/42/29/1070244229.db2.gz ODZGFUUZZBLOND-DHIUTWEWSA-N 2 0 463.066 3.837 20 0 JHADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC001308226464 1070343459 /nfs/dbraw/zinc/34/34/59/1070343459.db2.gz SUHZTIYLPMFUGZ-OAQYLSRUSA-N 2 0 451.533 3.767 20 0 JHADRP COc1cc(CN2CC[C@H]([NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC001308308482 1070354104 /nfs/dbraw/zinc/35/41/04/1070354104.db2.gz SPSJQQWIHAFKPE-QHCPKHFHSA-N 2 0 452.643 3.598 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1CC ZINC001314492925 1070406051 /nfs/dbraw/zinc/40/60/51/1070406051.db2.gz BZORYYLUWOAXPO-RCZVLFRGSA-N 2 0 468.690 3.785 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[NH+]2CC)C[C@H]1CC ZINC001314496485 1070418011 /nfs/dbraw/zinc/41/80/11/1070418011.db2.gz RJFIDLLKZKKNJS-PKTZIBPZSA-N 2 0 454.663 3.675 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001313575854 1070692074 /nfs/dbraw/zinc/69/20/74/1070692074.db2.gz UJEXQBRQCCMOAU-UHFFFAOYSA-N 2 0 461.658 3.684 20 0 JHADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001309419214 1070758228 /nfs/dbraw/zinc/75/82/28/1070758228.db2.gz ZCLLHCORIDQJOG-UHFFFAOYSA-N 2 0 452.020 3.779 20 0 JHADRP C[NH+](C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001314654225 1070768162 /nfs/dbraw/zinc/76/81/62/1070768162.db2.gz JLBUCWOLWKUAFP-HSZRJFAPSA-N 2 0 454.663 3.550 20 0 JHADRP C[NH+](C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C1CC1 ZINC001314655204 1070771539 /nfs/dbraw/zinc/77/15/39/1070771539.db2.gz KCSXLBJPHDUEKM-QHCPKHFHSA-N 2 0 456.654 3.906 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001313656569 1070850785 /nfs/dbraw/zinc/85/07/85/1070850785.db2.gz JWPKETBRACKYCA-SFTDATJTSA-N 2 0 488.652 3.589 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001313657690 1070856557 /nfs/dbraw/zinc/85/65/57/1070856557.db2.gz NPNAFOOYCCAIDD-FDFHNCONSA-N 2 0 471.694 3.572 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001313675760 1070918265 /nfs/dbraw/zinc/91/82/65/1070918265.db2.gz BIEWIFBXKKFVEW-ZEQRLZLVSA-N 2 0 454.663 3.786 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313691794 1070952717 /nfs/dbraw/zinc/95/27/17/1070952717.db2.gz XGFFXTXFRJRSIZ-MHZLTWQESA-N 2 0 490.737 3.894 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313691868 1070952741 /nfs/dbraw/zinc/95/27/41/1070952741.db2.gz ZJZCTZAZVGDPAM-VXKWHMMOSA-N 2 0 496.704 3.604 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001313693384 1070953974 /nfs/dbraw/zinc/95/39/74/1070953974.db2.gz IOTVIUUZTUAPDR-UHFFFAOYSA-N 2 0 477.122 3.882 20 0 JHADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001313713761 1071010648 /nfs/dbraw/zinc/01/06/48/1071010648.db2.gz UFVUHGPKSGUXPR-VWNXMTODSA-N 2 0 453.679 3.552 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001313714063 1071011760 /nfs/dbraw/zinc/01/17/60/1071011760.db2.gz WFTGOLCJGNAOPD-HXUWFJFHSA-N 2 0 491.775 3.629 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001313724328 1071030513 /nfs/dbraw/zinc/03/05/13/1071030513.db2.gz QDWXMIXUUOJXOJ-IFMALSPDSA-N 2 0 470.662 3.757 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313726374 1071035008 /nfs/dbraw/zinc/03/50/08/1071035008.db2.gz HPXLNANZUBWHCC-VSKRKVRLSA-N 2 0 491.725 3.557 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001313728834 1071040745 /nfs/dbraw/zinc/04/07/45/1071040745.db2.gz XABLDIGSOYNGKP-UBFVSLLYSA-N 2 0 481.733 3.855 20 0 JHADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001310362611 1071339307 /nfs/dbraw/zinc/33/93/07/1071339307.db2.gz CVXAXVQLBJAOTP-UHFFFAOYSA-N 2 0 457.594 3.572 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313858020 1071357320 /nfs/dbraw/zinc/35/73/20/1071357320.db2.gz FBPHXQCVBFBTSJ-PMOQBDJRSA-N 2 0 481.689 3.798 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C)CCOC)C[C@@H]1C ZINC001313858236 1071358547 /nfs/dbraw/zinc/35/85/47/1071358547.db2.gz ABCGMIDNUJDIMM-PMACEKPBSA-N 2 0 454.619 3.579 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313860450 1071370136 /nfs/dbraw/zinc/37/01/36/1071370136.db2.gz KZOGXBKBQQOQIF-RZUBCFFCSA-N 2 0 472.678 3.858 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313865915 1071395267 /nfs/dbraw/zinc/39/52/67/1071395267.db2.gz IWICSRXZRUETOO-SFTDATJTSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313871564 1071417426 /nfs/dbraw/zinc/41/74/26/1071417426.db2.gz UKPLFYBWCMWGRR-ZWKOTPCHSA-N 2 0 479.044 3.767 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874840 1071428619 /nfs/dbraw/zinc/42/86/19/1071428619.db2.gz OFRNEIQPUDGUOO-VJBWXMMDSA-N 2 0 461.658 3.703 20 0 JHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493758 1071433476 /nfs/dbraw/zinc/43/34/76/1071433476.db2.gz KZOFYVURUSLSCY-GVAUOCQISA-N 2 0 458.647 3.529 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313879146 1071447657 /nfs/dbraw/zinc/44/76/57/1071447657.db2.gz YHFMGGLTOOSOFB-TVZXLZGTSA-N 2 0 486.730 3.830 20 0 JHADRP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313879268 1071449299 /nfs/dbraw/zinc/44/92/99/1071449299.db2.gz ZSNWATMVZIYPGK-GIWBLDEGSA-N 2 0 454.663 3.671 20 0 JHADRP CC[NH+]1CCC(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001313881081 1071454060 /nfs/dbraw/zinc/45/40/60/1071454060.db2.gz PCEAAUJLRLEOFR-FQEVSTJZSA-N 2 0 470.662 3.615 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313886057 1071468979 /nfs/dbraw/zinc/46/89/79/1071468979.db2.gz LOXXNTVLPFTARZ-IBGZPJMESA-N 2 0 461.054 3.869 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919435 1071556990 /nfs/dbraw/zinc/55/69/90/1071556990.db2.gz BMIHBPFGFYRTGF-BJKOFHAPSA-N 2 0 473.754 3.908 20 0 JHADRP CC[NH+]1CCN([C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313926024 1071574812 /nfs/dbraw/zinc/57/48/12/1071574812.db2.gz DKXIFBGMGSWNRZ-VWLOTQADSA-N 2 0 495.760 3.790 20 0 JHADRP CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313928383 1071583811 /nfs/dbraw/zinc/58/38/11/1071583811.db2.gz BNTSAHQPHIWFRM-UPVQGACJSA-N 2 0 498.716 3.801 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313930246 1071588859 /nfs/dbraw/zinc/58/88/59/1071588859.db2.gz AOVGJRGCJZBCAU-NQIIRXRSSA-N 2 0 492.510 3.697 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313934206 1071601143 /nfs/dbraw/zinc/60/11/43/1071601143.db2.gz QNJWAUQIKHSZAV-MSOLQXFVSA-N 2 0 478.483 3.831 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313934210 1071601838 /nfs/dbraw/zinc/60/18/38/1071601838.db2.gz QNJWAUQIKHSZAV-ROUUACIJSA-N 2 0 478.483 3.831 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313934987 1071604292 /nfs/dbraw/zinc/60/42/92/1071604292.db2.gz UKJKECHEHKZOTF-RDPSFJRHSA-N 2 0 470.662 3.613 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313936635 1071609070 /nfs/dbraw/zinc/60/90/70/1071609070.db2.gz HDNBRPKPZSPFBL-YPAWHYETSA-N 2 0 491.725 3.653 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939925 1071613948 /nfs/dbraw/zinc/61/39/48/1071613948.db2.gz HVAJCPAXVPUPDC-SFTDATJTSA-N 2 0 452.672 3.981 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[N@H+](CC)[C@H](C)C1)c1ccsc1 ZINC001313940328 1071615035 /nfs/dbraw/zinc/61/50/35/1071615035.db2.gz VWAPOYUKCMTORL-DENIHFKCSA-N 2 0 455.676 3.959 20 0 JHADRP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCC[N@H+](C)C2CCCCC2)CCOC1 ZINC001314125139 1072031518 /nfs/dbraw/zinc/03/15/18/1072031518.db2.gz OHDVIKGAZXKWPT-MHZLTWQESA-N 2 0 490.737 3.895 20 0 JHADRP CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC001305930778 1068230365 /nfs/dbraw/zinc/23/03/65/1068230365.db2.gz YCXQGLZMLDBLTP-SGIRGMQISA-N 2 0 468.690 3.783 20 0 JHADRP CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306132635 1068535868 /nfs/dbraw/zinc/53/58/68/1068535868.db2.gz FXGXSRYEDDFQEY-OAQYLSRUSA-N 2 0 460.692 3.534 20 0 JHADRP CC[C@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1CCOC ZINC001306387363 1068822049 /nfs/dbraw/zinc/82/20/49/1068822049.db2.gz PPLWXZGIKFKLNF-DEOSSOPVSA-N 2 0 454.663 3.593 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@@H](C)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306405624 1068874199 /nfs/dbraw/zinc/87/41/99/1068874199.db2.gz FMRKZTHSXQQXFU-QKNQBKEWSA-N 2 0 474.719 3.629 20 0 JHADRP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC001306447698 1068962320 /nfs/dbraw/zinc/96/23/20/1068962320.db2.gz VNDKURVCJZDNGV-WMTXJRDZSA-N 2 0 460.711 3.678 20 0 JHADRP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306621272 1069308805 /nfs/dbraw/zinc/30/88/05/1069308805.db2.gz XOXVYZPIIZQGPI-FUPPJEDESA-N 2 0 472.678 3.904 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831165 720350797 /nfs/dbraw/zinc/35/07/97/720350797.db2.gz XXPIADCGGMLPBC-DSNGMDLFSA-N 2 0 453.675 3.930 20 0 JHADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738366 720821321 /nfs/dbraw/zinc/82/13/21/720821321.db2.gz FBOGPNIDCPZKEB-FULLSBAXSA-N 2 0 483.664 3.611 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)c2)CC1 ZINC001164879751 721259002 /nfs/dbraw/zinc/25/90/02/721259002.db2.gz YNLKHLCHDKIAGB-IGKIAQTJSA-N 2 0 464.610 3.503 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@]4(CCC[C@@H]4COCc4ccncc4)C3)c2)CC1 ZINC001164781915 721386798 /nfs/dbraw/zinc/38/67/98/721386798.db2.gz KXDRKZHUHVCGFE-GJZUVCINSA-N 2 0 452.599 3.542 20 0 JHADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164784489 721461011 /nfs/dbraw/zinc/46/10/11/721461011.db2.gz IKQJEHUROTXDLF-QFIPXVFZSA-N 2 0 469.626 3.986 20 0 JHADRP Cc1ccc(N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960565 722025492 /nfs/dbraw/zinc/02/54/92/722025492.db2.gz KOBDRCGBPTZFNZ-YWEHKCAJSA-N 2 0 470.621 3.788 20 0 JHADRP CC(C)CN(c1ccc(C[NH+]2CCCC2)cn1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164967334 722078606 /nfs/dbraw/zinc/07/86/06/722078606.db2.gz AXTUHBIQPBQWQN-UHFFFAOYSA-N 2 0 476.669 3.791 20 0 JHADRP COc1ccc([C@@H](CNC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC001311350618 1069336789 /nfs/dbraw/zinc/33/67/89/1069336789.db2.gz WKDKCAUAIICQNN-GJZUVCINSA-N 2 0 454.615 3.518 20 0 JHADRP COc1ccc([C@H](CNC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC001311350617 1069337051 /nfs/dbraw/zinc/33/70/51/1069337051.db2.gz WKDKCAUAIICQNN-BKMJKUGQSA-N 2 0 454.615 3.518 20 0 JHADRP CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306654679 1069366312 /nfs/dbraw/zinc/36/63/12/1069366312.db2.gz QZSYSNWBMLCQDB-RPWUZVMVSA-N 2 0 467.706 3.752 20 0 JHADRP CCCC[N@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001306680836 1069408239 /nfs/dbraw/zinc/40/82/39/1069408239.db2.gz TYMACTSRBJDFRD-SANMLTNESA-N 2 0 489.108 3.537 20 0 JHADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001311497961 1069407853 /nfs/dbraw/zinc/40/78/53/1069407853.db2.gz SHFMDCKHMIXCES-BTKWVRSESA-N 2 0 450.627 3.758 20 0 JHADRP CCCC[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001306686495 1069423106 /nfs/dbraw/zinc/42/31/06/1069423106.db2.gz DCNPSJSFSWKYDV-PKTZIBPZSA-N 2 0 454.663 3.879 20 0 JHADRP CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306722728 1069460955 /nfs/dbraw/zinc/46/09/55/1069460955.db2.gz NDPSLMZCGVFSSS-VXNXHJTFSA-N 2 0 460.711 3.995 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001306726017 1069467845 /nfs/dbraw/zinc/46/78/45/1069467845.db2.gz JFAZMYGIAUQPJQ-AOHZBQACSA-N 2 0 453.679 3.837 20 0 JHADRP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306727078 1069471080 /nfs/dbraw/zinc/47/10/80/1069471080.db2.gz CQFXWNJZJGXSQS-VXNXHJTFSA-N 2 0 476.710 3.577 20 0 JHADRP C[C@H]1CCC[C@](CNC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)([NH+](C)C)C1 ZINC001311651728 1069489273 /nfs/dbraw/zinc/48/92/73/1069489273.db2.gz AFPUGTXHWVFOMU-RDPSFJRHSA-N 2 0 450.071 3.662 20 0 JHADRP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)CC2)cc1 ZINC001311758456 1069535414 /nfs/dbraw/zinc/53/54/14/1069535414.db2.gz LWYMRGDDRPUWFK-QFQXNSOFSA-N 2 0 450.627 3.727 20 0 JHADRP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819246 1069559299 /nfs/dbraw/zinc/55/92/99/1069559299.db2.gz HSGLXZZLGMBGNM-OFNKIYASSA-N 2 0 453.606 3.554 20 0 JHADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[NH+](CC)C2)C1 ZINC001306780015 1069576467 /nfs/dbraw/zinc/57/64/67/1069576467.db2.gz KRPLACYGFNBDBL-RTBURBONSA-N 2 0 492.510 3.556 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306786995 1069590598 /nfs/dbraw/zinc/59/05/98/1069590598.db2.gz ZFFYQYJQEWMGGB-ZCYQVOJMSA-N 2 0 468.690 3.778 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001306787019 1069591078 /nfs/dbraw/zinc/59/10/78/1069591078.db2.gz ZMXYYWBCHZOTGN-QFIPXVFZSA-N 2 0 456.704 3.724 20 0 JHADRP CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001306802190 1069608205 /nfs/dbraw/zinc/60/82/05/1069608205.db2.gz HLRUBENIYAKCBJ-SJORKVTESA-N 2 0 466.472 3.687 20 0 JHADRP CCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2C[C@H]2CC[N@H+](CC)C2)cc1OC ZINC001314169067 1069674930 /nfs/dbraw/zinc/67/49/30/1069674930.db2.gz TWJPGTSAJBQZOW-ACRUOGEOSA-N 2 0 470.662 3.613 20 0 JHADRP CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001307032097 1069742987 /nfs/dbraw/zinc/74/29/87/1069742987.db2.gz AIKNTFNWMQXWDX-NRFANRHFSA-N 2 0 454.663 3.996 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001307041879 1069770616 /nfs/dbraw/zinc/77/06/16/1069770616.db2.gz WCWWJKNXJPLBBJ-XMMPIXPASA-N 2 0 453.679 3.552 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001307050929 1069802388 /nfs/dbraw/zinc/80/23/88/1069802388.db2.gz BQYPEGUXZNYLCY-VXKWHMMOSA-N 2 0 470.710 3.747 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001307052870 1069809064 /nfs/dbraw/zinc/80/90/64/1069809064.db2.gz HSQUJOBTAPXPPX-QHCPKHFHSA-N 2 0 470.710 3.571 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001307056224 1069826683 /nfs/dbraw/zinc/82/66/83/1069826683.db2.gz QDIKKAXKLYGDSQ-UKILVPOCSA-N 2 0 468.690 3.958 20 0 JHADRP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)c(Cl)c1 ZINC001312290236 1069841737 /nfs/dbraw/zinc/84/17/37/1069841737.db2.gz ZMTPIAIIERXNBM-PWRODBHTSA-N 2 0 457.446 3.663 20 0 JHADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC001307644739 1070098741 /nfs/dbraw/zinc/09/87/41/1070098741.db2.gz XLRRENUNGNFDPO-UHFFFAOYSA-N 2 0 450.505 3.835 20 0 JHADRP CCOCc1nnc(N2C[C@@H](C)[NH+](CC)C[C@@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314323433 1070108557 /nfs/dbraw/zinc/10/85/57/1070108557.db2.gz RUPZJVZINVPBLI-RTWAWAEBSA-N 2 0 454.663 3.570 20 0 JHADRP CN1CC[NH+](CC2(C)CC[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC2)CC1 ZINC001307665206 1070111749 /nfs/dbraw/zinc/11/17/49/1070111749.db2.gz FFEASNVWMOKWMY-VWLOTQADSA-N 2 0 454.684 3.693 20 0 JHADRP CCOCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314347100 1070153601 /nfs/dbraw/zinc/15/36/01/1070153601.db2.gz QIOPLJXVEMXPHJ-UHFFFAOYSA-N 2 0 454.663 3.618 20 0 JHADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749554 1070164949 /nfs/dbraw/zinc/16/49/49/1070164949.db2.gz BHKVLGXJHXDKHD-LJQANCHMSA-N 2 0 454.640 3.731 20 0 JHADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)CC1 ZINC001307918641 1070240806 /nfs/dbraw/zinc/24/08/06/1070240806.db2.gz HPKGATLTVMQTMV-DNQXCXABSA-N 2 0 462.654 3.924 20 0 JHADRP CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314395795 1070254098 /nfs/dbraw/zinc/25/40/98/1070254098.db2.gz GYVFRGQCGRWWLM-NFBKMPQASA-N 2 0 468.671 3.890 20 0 JHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001308280947 1070351269 /nfs/dbraw/zinc/35/12/69/1070351269.db2.gz BJIYZKJAKVSIQY-QFIPXVFZSA-N 2 0 456.635 3.980 20 0 JHADRP CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CCO2 ZINC001308457186 1070378310 /nfs/dbraw/zinc/37/83/10/1070378310.db2.gz PHZWQRFFQXIWBS-HSZRJFAPSA-N 2 0 458.647 3.832 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1CC ZINC001314499692 1070428002 /nfs/dbraw/zinc/42/80/02/1070428002.db2.gz DKHJBWJGOVSGHQ-RUZDIDTESA-N 2 0 496.744 3.903 20 0 JHADRP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001309243836 1070638854 /nfs/dbraw/zinc/63/88/54/1070638854.db2.gz JWSBPPTVCIMSIJ-KEVKATSASA-N 2 0 455.668 3.755 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001313574807 1070690238 /nfs/dbraw/zinc/69/02/38/1070690238.db2.gz MLRIAZIFQJFTOV-UHFFFAOYSA-N 2 0 461.658 3.684 20 0 JHADRP CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC001313574232 1070688996 /nfs/dbraw/zinc/68/89/96/1070688996.db2.gz YKBPOAJIBVEAAO-DNQXCXABSA-N 2 0 481.733 3.896 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001313657659 1070856162 /nfs/dbraw/zinc/85/61/62/1070856162.db2.gz NEYVEBPPHSDEHP-NHCUHLMSSA-N 2 0 475.081 3.877 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)C)CC1)c1ccsc1 ZINC001313664058 1070875409 /nfs/dbraw/zinc/87/54/09/1070875409.db2.gz KKVGPWKBOYZWDG-NRFANRHFSA-N 2 0 496.685 3.600 20 0 JHADRP CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313667525 1070889594 /nfs/dbraw/zinc/88/95/94/1070889594.db2.gz LHKYHPLUGGMAEM-NRFANRHFSA-N 2 0 472.678 3.907 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001313666737 1070885634 /nfs/dbraw/zinc/88/56/34/1070885634.db2.gz IUESOUXTRJWYNE-RTWAWAEBSA-N 2 0 489.108 3.942 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccco1 ZINC001313672206 1070903417 /nfs/dbraw/zinc/90/34/17/1070903417.db2.gz FMCVNYHHOFAPCD-QFIPXVFZSA-N 2 0 451.619 3.983 20 0 JHADRP CC[NH+](CC)[C@H](Cn1c(N2CCC(C[NH+]3CCOCC3)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313676579 1070922201 /nfs/dbraw/zinc/92/22/01/1070922201.db2.gz XTQWQNOBPGUACV-JOCHJYFZSA-N 2 0 472.678 3.800 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001313696470 1070963376 /nfs/dbraw/zinc/96/33/76/1070963376.db2.gz HPLICUDCVUJZKS-KRWDZBQOSA-N 2 0 492.510 3.839 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001313710652 1071004623 /nfs/dbraw/zinc/00/46/23/1071004623.db2.gz BIABIJPFSORIQU-OFNKIYASSA-N 2 0 470.662 3.547 20 0 JHADRP Cc1cc(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1N1CC[NH+](C)CC1 ZINC001310059636 1071090802 /nfs/dbraw/zinc/09/08/02/1071090802.db2.gz JOMLDSVXMONDJS-UHFFFAOYSA-N 2 0 451.615 3.543 20 0 JHADRP C[N@H+](CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC001314848459 1071208759 /nfs/dbraw/zinc/20/87/59/1071208759.db2.gz FSKVMENSUPYRDI-UHFFFAOYSA-N 2 0 482.677 3.501 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C)CCOC)C[C@@H]1C ZINC001313858238 1071358171 /nfs/dbraw/zinc/35/81/71/1071358171.db2.gz ABCGMIDNUJDIMM-VQTJNVASSA-N 2 0 454.619 3.579 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001313859106 1071361453 /nfs/dbraw/zinc/36/14/53/1071361453.db2.gz DGFADYSXLHOZBB-MSOLQXFVSA-N 2 0 461.452 3.722 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313858870 1071361709 /nfs/dbraw/zinc/36/17/09/1071361709.db2.gz CWIXMIOXSHMZSL-AABGKKOBSA-N 2 0 458.651 3.612 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001313859785 1071366613 /nfs/dbraw/zinc/36/66/13/1071366613.db2.gz ICAOYHHSNOYUQK-WPFOTENUSA-N 2 0 498.716 3.801 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001313860416 1071370005 /nfs/dbraw/zinc/37/00/05/1071370005.db2.gz KLUFOHYZMCUVHS-ILXRZTDVSA-N 2 0 455.470 3.638 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313861284 1071374356 /nfs/dbraw/zinc/37/43/56/1071374356.db2.gz QCGFUZUVOKHETK-YADHBBJMSA-N 2 0 482.677 3.501 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001313863211 1071380491 /nfs/dbraw/zinc/38/04/91/1071380491.db2.gz RZGFIWLPWWGWCK-MUGJNUQGSA-N 2 0 458.626 3.959 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313868652 1071405460 /nfs/dbraw/zinc/40/54/60/1071405460.db2.gz VPXQMRSJRIMKNL-SKWRMQMOSA-N 2 0 453.679 3.935 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001313868855 1071406456 /nfs/dbraw/zinc/40/64/56/1071406456.db2.gz BNEQVFSGMDGOSQ-SKPFHBQLSA-N 2 0 465.621 3.625 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313873224 1071424806 /nfs/dbraw/zinc/42/48/06/1071424806.db2.gz KIAQLTWJTKFHJP-ACESQOTJSA-N 2 0 467.706 3.939 20 0 JHADRP CC(C)[N@@H+](Cc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1)C[C@H]1CCCCO1 ZINC001310490950 1071430034 /nfs/dbraw/zinc/43/00/34/1071430034.db2.gz RREDKTMPFJLYIS-RUZDIDTESA-N 2 0 459.679 3.614 20 0 JHADRP CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001313898294 1071505172 /nfs/dbraw/zinc/50/51/72/1071505172.db2.gz PSEQEWAOWUJGIR-SFTDATJTSA-N 2 0 489.709 3.612 20 0 JHADRP CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313911591 1071537775 /nfs/dbraw/zinc/53/77/75/1071537775.db2.gz DPDNZSQLGNKQOH-NRFANRHFSA-N 2 0 470.662 3.661 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001313933218 1071596889 /nfs/dbraw/zinc/59/68/89/1071596889.db2.gz NUGZIRXOFRHRFV-ROUUACIJSA-N 2 0 491.478 3.731 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C[C@@H]1C ZINC001313934719 1071602983 /nfs/dbraw/zinc/60/29/83/1071602983.db2.gz VCVCCTUTSYJMJP-AVRDEDQJSA-N 2 0 452.603 3.688 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313934494 1071603044 /nfs/dbraw/zinc/60/30/44/1071603044.db2.gz AKRCEMZUVQUYSH-QGZVFWFLSA-N 2 0 479.442 3.863 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001313936862 1071609739 /nfs/dbraw/zinc/60/97/39/1071609739.db2.gz QONDBTSOOQEMMM-NHCUHLMSSA-N 2 0 470.662 3.613 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313935852 1071607242 /nfs/dbraw/zinc/60/72/42/1071607242.db2.gz JRNTXHJIGKGKTH-VXKWHMMOSA-N 2 0 454.663 3.996 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC001313942378 1071620138 /nfs/dbraw/zinc/62/01/38/1071620138.db2.gz IFAUDUCJDMJYMJ-PKTZIBPZSA-N 2 0 478.689 3.800 20 0 JHADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001313945546 1071626773 /nfs/dbraw/zinc/62/67/73/1071626773.db2.gz QGDFVGQQDKOTFF-HXUWFJFHSA-N 2 0 492.087 3.542 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313946699 1071629772 /nfs/dbraw/zinc/62/97/72/1071629772.db2.gz TZOZGOIPQPOCOB-ZRBLBEILSA-N 2 0 468.690 3.776 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313949374 1071635732 /nfs/dbraw/zinc/63/57/32/1071635732.db2.gz PHMWMFPTJJTYQB-PKTZIBPZSA-N 2 0 486.730 3.766 20 0 JHADRP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCC[N@H+](C)C2CCCCC2)CCOC1 ZINC001314126524 1072035545 /nfs/dbraw/zinc/03/55/45/1072035545.db2.gz RMSGOECRRXSDCM-SANMLTNESA-N 2 0 476.710 3.505 20 0 JHADRP CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001306319350 1068744748 /nfs/dbraw/zinc/74/47/48/1068744748.db2.gz KMUPEDULDNFCMU-QFIPXVFZSA-N 2 0 470.662 3.757 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCCC[C@@H]2CC)CC[NH+]1CCOC ZINC001306319825 1068746722 /nfs/dbraw/zinc/74/67/22/1068746722.db2.gz NMYNTAJWPLPOLP-VXKWHMMOSA-N 2 0 458.651 3.658 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[NH+](CC(C)C)C2)CC[N@@H+]1CCOC ZINC001306406527 1068877072 /nfs/dbraw/zinc/87/70/72/1068877072.db2.gz YZEURNCDEOYRIT-GOTSBHOMSA-N 2 0 472.678 3.762 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306412924 1068898972 /nfs/dbraw/zinc/89/89/72/1068898972.db2.gz XQBNFIUNIBPULO-CQOQZXRMSA-N 2 0 454.663 3.613 20 0 JHADRP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001306420342 1068912971 /nfs/dbraw/zinc/91/29/71/1068912971.db2.gz WAAZSEZXHZHVQR-PKTZIBPZSA-N 2 0 484.689 3.621 20 0 JHADRP CC(C)Oc1cc[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164684437 719671496 /nfs/dbraw/zinc/67/14/96/719671496.db2.gz UEHYCZFDYNCKEX-NRFANRHFSA-N 2 0 450.627 3.962 20 0 JHADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1 ZINC001164826239 720323497 /nfs/dbraw/zinc/32/34/97/720323497.db2.gz FZWRUFDVRCJIBM-CLJLJLNGSA-N 2 0 457.622 3.996 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164897475 721446826 /nfs/dbraw/zinc/44/68/26/721446826.db2.gz UDQGJRVQQCBJSE-ZWEKWIFMSA-N 2 0 455.691 3.784 20 0 JHADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)C2)cc1 ZINC001164940699 721929406 /nfs/dbraw/zinc/92/94/06/721929406.db2.gz XNABSRSQGCIVSH-UHFFFAOYSA-N 2 0 450.627 3.736 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164951262 721991289 /nfs/dbraw/zinc/99/12/89/721991289.db2.gz LQONGRYTWWFROG-GZGNHOFSSA-N 2 0 476.687 3.618 20 0 JHADRP Cc1ccc(N(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960563 722025328 /nfs/dbraw/zinc/02/53/28/722025328.db2.gz KOBDRCGBPTZFNZ-RBJSKKJNSA-N 2 0 470.621 3.788 20 0 JHADRP CCCC[N@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001306685154 1069420766 /nfs/dbraw/zinc/42/07/66/1069420766.db2.gz WLQCZYJEQQOPKF-HXUWFJFHSA-N 2 0 451.619 3.862 20 0 JHADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1Cl ZINC001311566729 1069440907 /nfs/dbraw/zinc/44/09/07/1069440907.db2.gz BHCNUJZVFOLTBJ-QHCPKHFHSA-N 2 0 451.055 3.913 20 0 JHADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCC(C)CC3)CC2)CC1 ZINC001311654067 1069490258 /nfs/dbraw/zinc/49/02/58/1069490258.db2.gz MCHVAJSMMRWSTE-SANMLTNESA-N 2 0 455.691 3.660 20 0 JHADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001311725263 1069522555 /nfs/dbraw/zinc/52/25/55/1069522555.db2.gz ALOZBXOMFWWQTN-AREMUKBSSA-N 2 0 450.627 3.629 20 0 JHADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001306781149 1069578796 /nfs/dbraw/zinc/57/87/96/1069578796.db2.gz HDJVNHOEDGCZQO-QTJGBDASSA-N 2 0 460.711 3.851 20 0 JHADRP CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[NH+]4C[C@H]3C)n2CCC[N@H+](C)C(C)C)cc1OC ZINC001314169815 1069678075 /nfs/dbraw/zinc/67/80/75/1069678075.db2.gz NUBHVOPRNVUQQI-IRLDBZIGSA-N 2 0 470.662 3.756 20 0 JHADRP CCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001314178750 1069716277 /nfs/dbraw/zinc/71/62/77/1069716277.db2.gz GBIWOMIIHYHAPB-NRFANRHFSA-N 2 0 470.662 3.759 20 0 JHADRP CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001307037440 1069758362 /nfs/dbraw/zinc/75/83/62/1069758362.db2.gz UUPNDARPWCHXSJ-UHFFFAOYSA-N 2 0 496.704 3.604 20 0 JHADRP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001307040672 1069766664 /nfs/dbraw/zinc/76/66/64/1069766664.db2.gz PENJYPOCXASCGW-OAQYLSRUSA-N 2 0 473.735 3.924 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001307048130 1069792847 /nfs/dbraw/zinc/79/28/47/1069792847.db2.gz NVHKUSGPQLQEQR-UHFFFAOYSA-N 2 0 468.690 3.920 20 0 JHADRP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001307052070 1069806433 /nfs/dbraw/zinc/80/64/33/1069806433.db2.gz XXODMVNXGIVICU-KMDXXIMOSA-N 2 0 487.737 3.772 20 0 JHADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2Cc2cccc(C[N@H+](C)CC)c2)CC1 ZINC001307055106 1069819346 /nfs/dbraw/zinc/81/93/46/1069819346.db2.gz JXVAAQPDFSKHEF-DEOSSOPVSA-N 2 0 468.690 3.983 20 0 JHADRP CCOc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001314226876 1069899396 /nfs/dbraw/zinc/89/93/96/1069899396.db2.gz JBUMUOWZNWLURV-UHFFFAOYSA-N 2 0 470.662 3.661 20 0 JHADRP CN(C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312499070 1069974853 /nfs/dbraw/zinc/97/48/53/1069974853.db2.gz GMOPXYVQUADZOI-UIOOFZCWSA-N 2 0 450.627 3.584 20 0 JHADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001307511000 1070026292 /nfs/dbraw/zinc/02/62/92/1070026292.db2.gz UETDMHCCILRRQS-JOCHJYFZSA-N 2 0 458.474 3.861 20 0 JHADRP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC001307621282 1070084238 /nfs/dbraw/zinc/08/42/38/1070084238.db2.gz MKYJWEYPUZOCJN-GOSISDBHSA-N 2 0 452.624 3.873 20 0 JHADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001312767937 1070111980 /nfs/dbraw/zinc/11/19/80/1070111980.db2.gz MGQAQQVLTBZSLX-VGPBXHGJSA-N 3 0 455.691 3.630 20 0 JHADRP COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NCCC3CC[NH+](C(C)C)CC3)CC2)c1C ZINC001313093344 1070249119 /nfs/dbraw/zinc/24/91/19/1070249119.db2.gz ZUDMXHVXVMPHQN-UHFFFAOYSA-N 2 0 459.679 3.823 20 0 JHADRP CCOCc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001314395152 1070253282 /nfs/dbraw/zinc/25/32/82/1070253282.db2.gz MKYDJDJUAHFYHD-UHFFFAOYSA-N 2 0 454.663 3.627 20 0 JHADRP CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314395801 1070254900 /nfs/dbraw/zinc/25/49/00/1070254900.db2.gz GYVFRGQCGRWWLM-REWPJTCUSA-N 2 0 468.671 3.890 20 0 JHADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC001313265032 1070309625 /nfs/dbraw/zinc/30/96/25/1070309625.db2.gz FZNSYNOOEKKPES-UHFFFAOYSA-N 2 0 456.675 3.965 20 0 JHADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001308280946 1070351065 /nfs/dbraw/zinc/35/10/65/1070351065.db2.gz BJIYZKJAKVSIQY-JOCHJYFZSA-N 2 0 456.635 3.980 20 0 JHADRP COc1cccc(COc2ccc(C[NH2+]CC3CC[NH+](CC(=O)NC(C)(C)C)CC3)cc2)c1 ZINC001308297165 1070353810 /nfs/dbraw/zinc/35/38/10/1070353810.db2.gz GNCACSVRFMDGJP-UHFFFAOYSA-N 2 0 453.627 3.991 20 0 JHADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC001308332129 1070358000 /nfs/dbraw/zinc/35/80/00/1070358000.db2.gz ZXWGHKOIHFFRGP-PKTZIBPZSA-N 2 0 450.465 3.771 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313451665 1070380594 /nfs/dbraw/zinc/38/05/94/1070380594.db2.gz AZRULXBIGWGTSY-QHCPKHFHSA-N 2 0 454.663 3.695 20 0 JHADRP CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313453507 1070386365 /nfs/dbraw/zinc/38/63/65/1070386365.db2.gz XWFVRNFNSUNZFF-QHCPKHFHSA-N 2 0 453.679 3.697 20 0 JHADRP CCOCC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1CC ZINC001314492927 1070406142 /nfs/dbraw/zinc/40/61/42/1070406142.db2.gz BZORYYLUWOAXPO-RDGATRHJSA-N 2 0 468.690 3.785 20 0 JHADRP Cc1ccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001309200714 1070601241 /nfs/dbraw/zinc/60/12/41/1070601241.db2.gz GWOJYSHHJFSDII-AYRHNUGRSA-N 2 0 455.668 3.566 20 0 JHADRP CCS[C@H]1CCCCN(c2nnc(CC)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001314603225 1070657901 /nfs/dbraw/zinc/65/79/01/1070657901.db2.gz ARKGBBRVXRPMKF-QFIPXVFZSA-N 2 0 457.692 3.560 20 0 JHADRP CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001313567316 1070681902 /nfs/dbraw/zinc/68/19/02/1070681902.db2.gz ANVUNANSMPMGSK-UHFFFAOYSA-N 2 0 463.630 3.537 20 0 JHADRP C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccs1 ZINC001314656615 1070775572 /nfs/dbraw/zinc/77/55/72/1070775572.db2.gz QYEWJIMWMCFYGZ-LEWJYISDSA-N 2 0 474.719 3.780 20 0 JHADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001313655982 1070848068 /nfs/dbraw/zinc/84/80/68/1070848068.db2.gz CBFYJALTXOEVPX-HSZRJFAPSA-N 2 0 497.732 3.679 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC001313663705 1070873781 /nfs/dbraw/zinc/87/37/81/1070873781.db2.gz GSJZEDRKFMVDLE-VWLOTQADSA-N 2 0 495.716 3.954 20 0 JHADRP CC[NH+](CC)[C@@H](Cn1c(N2CCC(C[NH+]3CCOCC3)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313676580 1070921843 /nfs/dbraw/zinc/92/18/43/1070921843.db2.gz XTQWQNOBPGUACV-QFIPXVFZSA-N 2 0 472.678 3.800 20 0 JHADRP CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001313693028 1070954066 /nfs/dbraw/zinc/95/40/66/1070954066.db2.gz GRIBJROLHMRJMI-IBGZPJMESA-N 2 0 459.708 3.676 20 0 JHADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001313711974 1071007677 /nfs/dbraw/zinc/00/76/77/1071007677.db2.gz JTWMDFGJPXERSP-DHIUTWEWSA-N 2 0 453.679 3.552 20 0 JHADRP CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001313718433 1071018829 /nfs/dbraw/zinc/01/88/29/1071018829.db2.gz JKGGVFRNJXHHHR-BJKOFHAPSA-N 2 0 460.711 3.996 20 0 JHADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001310239040 1071228621 /nfs/dbraw/zinc/22/86/21/1071228621.db2.gz JTNTVLTWFMOEBC-QGZVFWFLSA-N 2 0 454.497 3.635 20 0 JHADRP CC[N@H+](CCn1c(C2CCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)CCC(F)(F)F ZINC001313814804 1071259131 /nfs/dbraw/zinc/25/91/31/1071259131.db2.gz JZFNMCGUTVFVDU-UHFFFAOYSA-N 2 0 486.627 3.759 20 0 JHADRP CC[N@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C)CC1)C(C)C ZINC001313820447 1071278150 /nfs/dbraw/zinc/27/81/50/1071278150.db2.gz VZROYKSFFQFWCG-VWLOTQADSA-N 2 0 481.733 4.000 20 0 JHADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)C[C@H]1C[NH+](C)C ZINC001310334817 1071316661 /nfs/dbraw/zinc/31/66/61/1071316661.db2.gz JGYCRYVKXWJJNJ-ZIAGYGMSSA-N 2 0 470.458 3.850 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313863346 1071381529 /nfs/dbraw/zinc/38/15/29/1071381529.db2.gz DBRRFDVMGDWNMP-JTAQYXEDSA-N 2 0 475.081 3.874 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313864829 1071389318 /nfs/dbraw/zinc/38/93/18/1071389318.db2.gz CKJNCDXWPWGJGH-ZQRMPTRQSA-N 2 0 454.663 3.702 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001313868811 1071403249 /nfs/dbraw/zinc/40/32/49/1071403249.db2.gz BEJKYRLKEWWNOR-NHCUHLMSSA-N 2 0 486.680 3.816 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001313868815 1071403281 /nfs/dbraw/zinc/40/32/81/1071403281.db2.gz BEJKYRLKEWWNOR-SFTDATJTSA-N 2 0 486.680 3.816 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001313871101 1071415901 /nfs/dbraw/zinc/41/59/01/1071415901.db2.gz WWGLXJFHSRIYGL-LEWJYISDSA-N 2 0 451.663 3.788 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@H]1C ZINC001313872807 1071421994 /nfs/dbraw/zinc/42/19/94/1071421994.db2.gz XIZKWPBUFKVKRR-YADHBBJMSA-N 2 0 460.711 3.819 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313873705 1071425745 /nfs/dbraw/zinc/42/57/45/1071425745.db2.gz LPHVIGYVIUDNNS-OTNCWRBYSA-N 2 0 461.658 3.794 20 0 JHADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313875304 1071432724 /nfs/dbraw/zinc/43/27/24/1071432724.db2.gz PVIKPYMJQIEMJX-FCHUYYIVSA-N 2 0 453.679 3.837 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313877958 1071443936 /nfs/dbraw/zinc/44/39/36/1071443936.db2.gz YAOQUWYXVRGFNI-CMOCDZPBSA-N 2 0 454.663 3.993 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313879144 1071447584 /nfs/dbraw/zinc/44/75/84/1071447584.db2.gz YHFMGGLTOOSOFB-AOJNWGRGSA-N 2 0 486.730 3.830 20 0 JHADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313886303 1071469851 /nfs/dbraw/zinc/46/98/51/1071469851.db2.gz RKIRXANBWLSVJD-CIAFKFPVSA-N 2 0 492.778 3.943 20 0 JHADRP CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313892349 1071487871 /nfs/dbraw/zinc/48/78/71/1071487871.db2.gz DWLSQMBLPDOZDN-QFIPXVFZSA-N 2 0 454.663 3.996 20 0 JHADRP CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313913622 1071543587 /nfs/dbraw/zinc/54/35/87/1071543587.db2.gz KWECLFQSBCPNAA-DNVJHFABSA-N 2 0 460.711 3.992 20 0 JHADRP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313923923 1071568818 /nfs/dbraw/zinc/56/88/18/1071568818.db2.gz BBDAURNDGLCHLR-LJQANCHMSA-N 2 0 492.087 3.684 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313930248 1071588795 /nfs/dbraw/zinc/58/87/95/1071588795.db2.gz AOVGJRGCJZBCAU-WIYYLYMNSA-N 2 0 492.510 3.697 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313931189 1071591987 /nfs/dbraw/zinc/59/19/87/1071591987.db2.gz BKABDMYQDCDTIW-XZOQPEGZSA-N 2 0 481.689 3.942 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313934749 1071603635 /nfs/dbraw/zinc/60/36/35/1071603635.db2.gz VLJAVSDSRWPIBO-NRFANRHFSA-N 2 0 468.690 3.884 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313934261 1071601903 /nfs/dbraw/zinc/60/19/03/1071601903.db2.gz SUGBYZUHCQQPAH-YWZLYKJASA-N 2 0 499.548 3.737 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1C ZINC001313936849 1071609716 /nfs/dbraw/zinc/60/97/16/1071609716.db2.gz QMFLJHGNEUPGKH-FQEVSTJZSA-N 2 0 470.662 3.757 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943310 1071622670 /nfs/dbraw/zinc/62/26/70/1071622670.db2.gz RKJBYSKDAGNKNV-SMIHKQSGSA-N 2 0 484.689 3.504 20 0 JHADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4C)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001313947516 1071632169 /nfs/dbraw/zinc/63/21/69/1071632169.db2.gz BASLWVBYXWNUDQ-AREMUKBSSA-N 2 0 481.733 3.512 20 0 JHADRP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313947786 1071632919 /nfs/dbraw/zinc/63/29/19/1071632919.db2.gz ZGPOAVVJIIPEJJ-NRFANRHFSA-N 2 0 454.663 3.530 20 0 JHADRP CCN1CC[NH+](C[C@H](C)Cn2c(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951507 1071642341 /nfs/dbraw/zinc/64/23/41/1071642341.db2.gz JAHIOSFZNSZFBT-DQEYMECFSA-N 2 0 495.760 3.950 20 0 JHADRP CCN1CC[NH+](CCCCn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313953055 1071647079 /nfs/dbraw/zinc/64/70/79/1071647079.db2.gz AFOZOTTVPBBOAK-UHFFFAOYSA-N 2 0 459.727 3.664 20 0 JHADRP CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313955149 1071654767 /nfs/dbraw/zinc/65/47/67/1071654767.db2.gz XZISSGNCIGHOBV-DQEYMECFSA-N 2 0 481.733 3.514 20 0 JHADRP CCc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001305948386 1068268869 /nfs/dbraw/zinc/26/88/69/1068268869.db2.gz URWHHDAILXTBQT-UHFFFAOYSA-N 2 0 481.733 3.559 20 0 JHADRP CCc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001305985368 1068334818 /nfs/dbraw/zinc/33/48/18/1068334818.db2.gz NKKGZKDKCJHZLL-QFIPXVFZSA-N 2 0 454.663 3.824 20 0 JHADRP CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306091566 1068515248 /nfs/dbraw/zinc/51/52/48/1068515248.db2.gz ZDHUEFMMFXZPFT-ZEQRLZLVSA-N 2 0 481.733 3.855 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCCC[C@@H]2CC)CC[NH+]1CCOC ZINC001306317681 1068738913 /nfs/dbraw/zinc/73/89/13/1068738913.db2.gz BNYARSILBKAYMR-FCHUYYIVSA-N 2 0 472.653 3.896 20 0 JHADRP CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2F)nnc1N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC001306317684 1068739030 /nfs/dbraw/zinc/73/90/30/1068739030.db2.gz BNYARSILBKAYMR-YADHBBJMSA-N 2 0 472.653 3.896 20 0 JHADRP CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+](C)CC)c2)CC[N@@H+]1CCOC ZINC001306389848 1068827230 /nfs/dbraw/zinc/82/72/30/1068827230.db2.gz PLZNQICKKFQYBD-QHCPKHFHSA-N 2 0 456.679 3.623 20 0 JHADRP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001306423977 1068917896 /nfs/dbraw/zinc/91/78/96/1068917896.db2.gz NAVVZQLXWDQCPP-CQOQZXRMSA-N 2 0 483.705 3.564 20 0 JHADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H](c3cccc(OC)c3)[NH+]3CCCC3)c2)CC1 ZINC001310598011 1069042184 /nfs/dbraw/zinc/04/21/84/1069042184.db2.gz VIQNITLOIRZDPQ-RUZDIDTESA-N 2 0 451.615 3.796 20 0 JHADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC001310746171 1069148217 /nfs/dbraw/zinc/14/82/17/1069148217.db2.gz RQQNABOMZNUONA-HXUWFJFHSA-N 2 0 453.027 3.778 20 0 JHADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4c(c(COc5cccnc5)nn4CC4CC4)C3)c2)CC1 ZINC001164656290 719323432 /nfs/dbraw/zinc/32/34/32/719323432.db2.gz WBVVOCUSFLVQQX-UHFFFAOYSA-N 2 0 474.609 3.698 20 0 JHADRP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)c1 ZINC001164751725 720901996 /nfs/dbraw/zinc/90/19/96/720901996.db2.gz DDERNGUTZUXULT-LITSAYRRSA-N 2 0 491.680 3.706 20 0 JHADRP