smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC(C)(C)C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001298235671 1064141416 /nfs/dbraw/zinc/14/14/16/1064141416.db2.gz XJPBZSDNJGEESO-XMMPIXPASA-N 2 0 467.706 3.465 20 0 JGADRP C[N@@H+]1CC[C@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001298880622 1064685839 /nfs/dbraw/zinc/68/58/39/1064685839.db2.gz WPHLVRYCMPVGNH-XMMPIXPASA-N 2 0 461.054 3.223 20 0 JGADRP Cn1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC001298887982 1064697431 /nfs/dbraw/zinc/69/74/31/1064697431.db2.gz ZDWGFNYHKHJWJK-OAQYLSRUSA-N 2 0 456.683 3.357 20 0 JGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001298889743 1064699206 /nfs/dbraw/zinc/69/92/06/1064699206.db2.gz WDLOZORWFIZDQM-FQEVSTJZSA-N 2 0 487.718 3.311 20 0 JGADRP CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1)C(C)C ZINC001299846168 1065046687 /nfs/dbraw/zinc/04/66/87/1065046687.db2.gz NUBZRAWRDGYFFL-UHFFFAOYSA-N 2 0 451.615 3.334 20 0 JGADRP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCOCC[NH+](C)C ZINC001299908986 1065154846 /nfs/dbraw/zinc/15/48/46/1065154846.db2.gz KPBOYUQBTLGZMG-UHFFFAOYSA-N 2 0 477.053 3.250 20 0 JGADRP COc1ccc(Br)c(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299972954 1065260819 /nfs/dbraw/zinc/26/08/19/1065260819.db2.gz DRTMONNBFRNZNT-INIZCTEOSA-N 2 0 465.440 3.197 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492267198 1065363021 /nfs/dbraw/zinc/36/30/21/1065363021.db2.gz PQSMFDRGYKJSGG-RXVVDRJESA-N 2 0 467.662 3.408 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492358910 1065420725 /nfs/dbraw/zinc/42/07/25/1065420725.db2.gz FNNHYPXVSVHGBR-HSZRJFAPSA-N 2 0 483.705 3.110 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492376803 1065439669 /nfs/dbraw/zinc/43/96/69/1065439669.db2.gz FYXBAAAUILCZIU-UHFFFAOYSA-N 2 0 494.688 3.199 20 0 JGADRP Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCOCC[NH+](C)C)cc1 ZINC001492454711 1065505656 /nfs/dbraw/zinc/50/56/56/1065505656.db2.gz ZAKKDWQVANNCKQ-LEWJYISDSA-N 2 0 458.676 3.130 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302026033 1066386007 /nfs/dbraw/zinc/38/60/07/1066386007.db2.gz VWQHQKPFPQTIQY-FCHUYYIVSA-N 2 0 462.683 3.189 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302030859 1066396056 /nfs/dbraw/zinc/39/60/56/1066396056.db2.gz YUYNKPJHCXERLW-CTNGQTDRSA-N 2 0 450.672 3.089 20 0 JGADRP COCCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301609093 1066456430 /nfs/dbraw/zinc/45/64/30/1066456430.db2.gz XCHNYYMALZHIOB-UHFFFAOYSA-N 2 0 479.467 3.206 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302068407 1066471793 /nfs/dbraw/zinc/47/17/93/1066471793.db2.gz PFDKDIBXRUNNDX-NRFANRHFSA-N 2 0 450.672 3.045 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302072198 1066482084 /nfs/dbraw/zinc/48/20/84/1066482084.db2.gz LHGMVDUTQUJDRH-JOCHJYFZSA-N 2 0 462.683 3.189 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001302080416 1066496663 /nfs/dbraw/zinc/49/66/63/1066496663.db2.gz PDJYQYGDQYSXOB-SFTDATJTSA-N 2 0 450.672 3.043 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[NH+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001301708299 1066599931 /nfs/dbraw/zinc/59/99/31/1066599931.db2.gz KYVKKOJVWUEOCD-HOUBMWHVSA-N 2 0 487.737 3.075 20 0 JGADRP COCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001301721619 1066627577 /nfs/dbraw/zinc/62/75/77/1066627577.db2.gz MEQKXYLTPMCDJK-UHFFFAOYSA-N 2 0 497.688 3.180 20 0 JGADRP COCC[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001301735557 1066657373 /nfs/dbraw/zinc/65/73/73/1066657373.db2.gz CTYGKRAONWIVFO-MJGOQNOKSA-N 2 0 497.471 3.415 20 0 JGADRP COCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301735797 1066657997 /nfs/dbraw/zinc/65/79/97/1066657997.db2.gz DTSOZDNANUFHBO-UHFFFAOYSA-N 2 0 460.692 3.209 20 0 JGADRP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001302191097 1066673438 /nfs/dbraw/zinc/67/34/38/1066673438.db2.gz QJGLHKKFOHZCAQ-JOCHJYFZSA-N 2 0 469.678 3.135 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001301877187 1066878732 /nfs/dbraw/zinc/87/87/32/1066878732.db2.gz JZGAAVBOSZQXIM-VWPQPMDRSA-N 2 0 458.651 3.142 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301878206 1066880951 /nfs/dbraw/zinc/88/09/51/1066880951.db2.gz ULCFCRGXLJGVKG-GGAORHGYSA-N 2 0 470.662 3.288 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301887037 1066899088 /nfs/dbraw/zinc/89/90/88/1066899088.db2.gz GKVQCLNFDAZMNT-KRWDZBQOSA-N 2 0 495.441 3.099 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001301887017 1066899147 /nfs/dbraw/zinc/89/91/47/1066899147.db2.gz FYSDCMNKRURJNC-JKSUJKDBSA-N 2 0 455.434 3.359 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001301888784 1066904784 /nfs/dbraw/zinc/90/47/84/1066904784.db2.gz PHIGIMWNLZFYPZ-OFNKIYASSA-N 2 0 491.080 3.112 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301896015 1066918275 /nfs/dbraw/zinc/91/82/75/1066918275.db2.gz CGPYKAKPBVUVOW-PMACEKPBSA-N 2 0 461.054 3.487 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@@H]1C ZINC001301900104 1066924763 /nfs/dbraw/zinc/92/47/63/1066924763.db2.gz XBDMIUOTFOXQMM-AVRDEDQJSA-N 2 0 472.037 3.386 20 0 JGADRP CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001302334197 1066933142 /nfs/dbraw/zinc/93/31/42/1066933142.db2.gz AZIPHMMQGPVMNZ-FGZHOGPDSA-N 2 0 476.710 3.230 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001301911969 1066938519 /nfs/dbraw/zinc/93/85/19/1066938519.db2.gz JABYNOZOBJLWHK-PMOQBDJRSA-N 2 0 474.625 3.119 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001301912582 1066939437 /nfs/dbraw/zinc/93/94/37/1066939437.db2.gz KTXNMJGUUZTWKY-MZYLBHOOSA-N 2 0 462.683 3.187 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301920005 1066952818 /nfs/dbraw/zinc/95/28/18/1066952818.db2.gz LTVJSUMOAHQHAT-OFNKIYASSA-N 2 0 472.653 3.285 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001301927772 1066964002 /nfs/dbraw/zinc/96/40/02/1066964002.db2.gz NNKQFPSYPIYHPJ-HSZRJFAPSA-N 2 0 470.662 3.117 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928915 1066966189 /nfs/dbraw/zinc/96/61/89/1066966189.db2.gz YDJKPHBRWWMKRX-UPVQGACJSA-N 2 0 484.689 3.443 20 0 JGADRP Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCOCC[NH+](C)C)c1C ZINC001304019792 1067063848 /nfs/dbraw/zinc/06/38/48/1067063848.db2.gz KSTIRBGYEOUZIY-WWNPGLIZSA-N 2 0 470.662 3.286 20 0 JGADRP Cc1cccc(O[C@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030152 1067078356 /nfs/dbraw/zinc/07/83/56/1067078356.db2.gz NLFXJBRDTSSMTA-DHIUTWEWSA-N 2 0 470.662 3.288 20 0 JGADRP CC(C)c1nnc(N2CCC[NH+](Cc3ccccc3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302667993 1067295309 /nfs/dbraw/zinc/29/53/09/1067295309.db2.gz HVQLZRHCCDDVJM-DEOSSOPVSA-N 2 0 481.689 3.057 20 0 JGADRP Cc1ccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC001304274711 1067311735 /nfs/dbraw/zinc/31/17/35/1067311735.db2.gz NYSNMKMWZCYNQK-QHCPKHFHSA-N 2 0 490.656 3.315 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302691795 1067316855 /nfs/dbraw/zinc/31/68/55/1067316855.db2.gz FUDQYPOELDOPOR-UPVQGACJSA-N 2 0 481.689 3.055 20 0 JGADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001304288669 1067332879 /nfs/dbraw/zinc/33/28/79/1067332879.db2.gz IKKHJCNQIYLWSV-VWLOTQADSA-N 2 0 472.703 3.442 20 0 JGADRP Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001304325479 1067374441 /nfs/dbraw/zinc/37/44/41/1067374441.db2.gz VIYQFPRZCIYLHR-VXKWHMMOSA-N 2 0 488.677 3.281 20 0 JGADRP CC(C)C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001302819499 1067407087 /nfs/dbraw/zinc/40/70/87/1067407087.db2.gz BRQVDSPZDONSEG-VJTSUQJLSA-N 2 0 485.696 3.413 20 0 JGADRP CC(C)C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001302821428 1067410085 /nfs/dbraw/zinc/41/00/85/1067410085.db2.gz VXKKNHOBWVBLPA-XMMPIXPASA-N 2 0 497.736 3.349 20 0 JGADRP CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC001302824802 1067414337 /nfs/dbraw/zinc/41/43/37/1067414337.db2.gz UBAOMMYAIWMQMR-BJKOFHAPSA-N 2 0 475.726 3.101 20 0 JGADRP CC(C)Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001302870114 1067449839 /nfs/dbraw/zinc/44/98/39/1067449839.db2.gz XZQMQUNOLCYRCN-PZJWPPBQSA-N 2 0 495.594 3.240 20 0 JGADRP CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302893207 1067473847 /nfs/dbraw/zinc/47/38/47/1067473847.db2.gz UGRJHQHZQLDXEI-TYBLODHISA-N 2 0 478.751 3.240 20 0 JGADRP C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@]3([NH+](C)C)CCSC3)CC2)C[C@H](C)O1 ZINC001302901514 1067485420 /nfs/dbraw/zinc/48/54/20/1067485420.db2.gz KVNGVZUTZZWRRT-OHUGHZGNSA-N 2 0 478.751 3.339 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304417879 1067490780 /nfs/dbraw/zinc/49/07/80/1067490780.db2.gz GGEUAPWYEQDFKN-ZRZAMGCNSA-N 2 0 470.662 3.195 20 0 JGADRP CC(C)Cc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302937117 1067510520 /nfs/dbraw/zinc/51/05/20/1067510520.db2.gz JGVFHCXOODZTLF-UHFFFAOYSA-N 2 0 456.683 3.044 20 0 JGADRP Cc1cccc(-c2nnc(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304478880 1067557955 /nfs/dbraw/zinc/55/79/55/1067557955.db2.gz OWDXIYFIXAANCA-UHFFFAOYSA-N 2 0 482.721 3.374 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCOCC[NH+](C)C ZINC001304560180 1067629546 /nfs/dbraw/zinc/62/95/46/1067629546.db2.gz REFWLDGVFBJCQN-UHFFFAOYSA-N 2 0 468.690 3.456 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304560354 1067629930 /nfs/dbraw/zinc/62/99/30/1067629930.db2.gz UFGSSGQWCZBYGE-RUZDIDTESA-N 2 0 495.716 3.039 20 0 JGADRP CC(C)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303142867 1067681348 /nfs/dbraw/zinc/68/13/48/1067681348.db2.gz SSYDYEGLUXKONL-SANMLTNESA-N 2 0 485.746 3.172 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001303178785 1067712482 /nfs/dbraw/zinc/71/24/82/1067712482.db2.gz VWGSECZDDNZDIU-IBGZPJMESA-N 2 0 482.658 3.068 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303195848 1067729161 /nfs/dbraw/zinc/72/91/61/1067729161.db2.gz DKFAQOFRPGTJEX-HSZRJFAPSA-N 2 0 475.081 3.147 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001303198560 1067733701 /nfs/dbraw/zinc/73/37/01/1067733701.db2.gz FFCLJFUSCIANNK-FGZHOGPDSA-N 2 0 488.652 3.274 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001303198562 1067733753 /nfs/dbraw/zinc/73/37/53/1067733753.db2.gz FFCLJFUSCIANNK-VXKWHMMOSA-N 2 0 488.652 3.274 20 0 JGADRP Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC001304666476 1067733919 /nfs/dbraw/zinc/73/39/19/1067733919.db2.gz QCFLEYKCYUPXLP-LJQANCHMSA-N 2 0 475.707 3.102 20 0 JGADRP Cc1nc(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2CC[N@H+](C)Cc2ccccc2)cs1 ZINC001304669784 1067738458 /nfs/dbraw/zinc/73/84/58/1067738458.db2.gz JOKVLOBTRBWWDM-UHFFFAOYSA-N 2 0 453.660 3.296 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001303204481 1067741121 /nfs/dbraw/zinc/74/11/21/1067741121.db2.gz MSFRJASTUKYIEW-QFIPXVFZSA-N 2 0 460.692 3.254 20 0 JGADRP Cc1nc(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCC[NH+]2CCOCC2)cs1 ZINC001304673797 1067743734 /nfs/dbraw/zinc/74/37/34/1067743734.db2.gz BUYWHUALNKLNFS-UHFFFAOYSA-N 2 0 489.734 3.304 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001303259756 1067786351 /nfs/dbraw/zinc/78/63/51/1067786351.db2.gz YMSUBXCZOOJMRW-UNMCSNQZSA-N 2 0 459.683 3.050 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001303261583 1067787964 /nfs/dbraw/zinc/78/79/64/1067787964.db2.gz NWBSWGLRWGYFGM-QFIPXVFZSA-N 2 0 488.702 3.144 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001303267927 1067795157 /nfs/dbraw/zinc/79/51/57/1067795157.db2.gz KNJXLBMGBIONGP-UHFFFAOYSA-N 2 0 470.691 3.107 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001303268499 1067796368 /nfs/dbraw/zinc/79/63/68/1067796368.db2.gz HYJUMLGFINOJAO-UHFFFAOYSA-N 2 0 464.456 3.441 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001303268773 1067796766 /nfs/dbraw/zinc/79/67/66/1067796766.db2.gz MJGJZAZRTQCMAD-FUHWJXTLSA-N 2 0 464.456 3.059 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001303269233 1067797725 /nfs/dbraw/zinc/79/77/25/1067797725.db2.gz UXYOLTOQNCSEOP-IBGZPJMESA-N 2 0 491.478 3.206 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001303269234 1067797764 /nfs/dbraw/zinc/79/77/64/1067797764.db2.gz UXYOLTOQNCSEOP-LJQANCHMSA-N 2 0 491.478 3.206 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304739428 1067813248 /nfs/dbraw/zinc/81/32/48/1067813248.db2.gz DTWZRDGGJURIPB-UPVQGACJSA-N 2 0 464.662 3.191 20 0 JGADRP CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC001303291894 1067816948 /nfs/dbraw/zinc/81/69/48/1067816948.db2.gz YYLJNBDVBVXANN-JOCHJYFZSA-N 2 0 459.683 3.088 20 0 JGADRP CC(C)[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C2CCC2)CC1)C(C)C ZINC001303296684 1067820454 /nfs/dbraw/zinc/82/04/54/1067820454.db2.gz DYCDCSWQXOGZQG-UHFFFAOYSA-N 2 0 473.691 3.063 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001303304438 1067831212 /nfs/dbraw/zinc/83/12/12/1067831212.db2.gz GTHHYLJAKBSOIC-UHFFFAOYSA-N 3 0 468.694 3.103 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001304754024 1067835754 /nfs/dbraw/zinc/83/57/54/1067835754.db2.gz IVIOSJUMVZHEOE-DEOSSOPVSA-N 2 0 464.662 3.409 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001303308091 1067836636 /nfs/dbraw/zinc/83/66/36/1067836636.db2.gz QVAXPSHIKPZWFL-UHFFFAOYSA-N 2 0 456.635 3.225 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001303310023 1067837801 /nfs/dbraw/zinc/83/78/01/1067837801.db2.gz DILAQLOLIDBWME-NRFANRHFSA-N 2 0 496.523 3.014 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001303310411 1067838214 /nfs/dbraw/zinc/83/82/14/1067838214.db2.gz HXDSHVUMMOOZPQ-UHFFFAOYSA-N 2 0 488.080 3.268 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[NH+]2CCC[C@@H]2CO)CC1 ZINC001303310418 1067838276 /nfs/dbraw/zinc/83/82/76/1067838276.db2.gz IEWSFJHEQRVZNG-WXFUMESZSA-N 2 0 490.737 3.354 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001303310380 1067838446 /nfs/dbraw/zinc/83/84/46/1067838446.db2.gz GULJMJBTQSLDPP-INIZCTEOSA-N 2 0 464.456 3.059 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001303312083 1067841660 /nfs/dbraw/zinc/84/16/60/1067841660.db2.gz YDMQWMFRAAGDDT-NRFANRHFSA-N 2 0 488.702 3.144 20 0 JGADRP CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001303317723 1067847002 /nfs/dbraw/zinc/84/70/02/1067847002.db2.gz BRJDFOHRCOYPFY-DNQXCXABSA-N 2 0 475.726 3.243 20 0 JGADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303317931 1067847536 /nfs/dbraw/zinc/84/75/36/1067847536.db2.gz FQLSZEOCOOHOMP-QFIPXVFZSA-N 2 0 473.735 3.123 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303366208 1067894401 /nfs/dbraw/zinc/89/44/01/1067894401.db2.gz KGFIFBCZYIWJSO-OAQYLSRUSA-N 2 0 461.699 3.093 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303368937 1067897813 /nfs/dbraw/zinc/89/78/13/1067897813.db2.gz DDCVJSXFFYPVAT-HSZRJFAPSA-N 2 0 473.710 3.382 20 0 JGADRP Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304855637 1067906227 /nfs/dbraw/zinc/90/62/27/1067906227.db2.gz FUOFVEWUFIMDBI-DHIUTWEWSA-N 2 0 459.727 3.339 20 0 JGADRP Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001304861175 1067910416 /nfs/dbraw/zinc/91/04/16/1067910416.db2.gz SPTZFHQVQOHRQJ-JOCHJYFZSA-N 2 0 453.679 3.355 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001303390113 1067919459 /nfs/dbraw/zinc/91/94/59/1067919459.db2.gz YQJHQIJRAXLYLF-JOCHJYFZSA-N 2 0 459.683 3.137 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001303409539 1067936189 /nfs/dbraw/zinc/93/61/89/1067936189.db2.gz JDTMEGQYOTTZOY-UHFFFAOYSA-N 2 0 481.689 3.229 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303409799 1067936482 /nfs/dbraw/zinc/93/64/82/1067936482.db2.gz NDIABKMCPJRUGK-UHFFFAOYSA-N 2 0 473.710 3.383 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001304924810 1067967786 /nfs/dbraw/zinc/96/77/86/1067967786.db2.gz KTHPKJXPEUADSX-GOTSBHOMSA-N 2 0 473.710 3.193 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001303462540 1067981828 /nfs/dbraw/zinc/98/18/28/1067981828.db2.gz FQRQIIYNMQTSJT-UHFFFAOYSA-N 2 0 467.662 3.003 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001303463518 1067982662 /nfs/dbraw/zinc/98/26/62/1067982662.db2.gz ULNODFDVBKJNHM-HXUWFJFHSA-N 2 0 468.650 3.157 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001303463698 1067983035 /nfs/dbraw/zinc/98/30/35/1067983035.db2.gz WVYXHRQAEHIMCJ-OAQYLSRUSA-N 2 0 490.656 3.413 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001303464499 1067983510 /nfs/dbraw/zinc/98/35/10/1067983510.db2.gz JRPDXSWNNCAGSE-QFIPXVFZSA-N 2 0 454.598 3.087 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCOCC[NH+](C)C)CC1 ZINC001303464802 1067983874 /nfs/dbraw/zinc/98/38/74/1067983874.db2.gz MUBNPUCGZCEBRH-UHFFFAOYSA-N 2 0 497.457 3.392 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001303466525 1067985694 /nfs/dbraw/zinc/98/56/94/1067985694.db2.gz QWVMXOYPIQZUNI-WOJBJXKFSA-N 2 0 460.692 3.397 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303466523 1067985727 /nfs/dbraw/zinc/98/57/27/1067985727.db2.gz QWVMXOYPIQZUNI-BGYRXZFFSA-N 2 0 460.692 3.397 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001303467673 1067986526 /nfs/dbraw/zinc/98/65/26/1067986526.db2.gz DWHAPKZNQHNEIG-DEOSSOPVSA-N 2 0 476.666 3.400 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(COc3ccccc3F)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001303467674 1067986533 /nfs/dbraw/zinc/98/65/33/1067986533.db2.gz DWHAPKZNQHNEIG-XMMPIXPASA-N 2 0 476.666 3.400 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001303467987 1067987044 /nfs/dbraw/zinc/98/70/44/1067987044.db2.gz OXNYLBYQLSOPCQ-DHIUTWEWSA-N 2 0 476.710 3.010 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001303503572 1068035087 /nfs/dbraw/zinc/03/50/87/1068035087.db2.gz SPLZRRQORPKQCH-VWLOTQADSA-N 2 0 462.683 3.114 20 0 JGADRP C[C@@H]1CCCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305015476 1068058060 /nfs/dbraw/zinc/05/80/60/1068058060.db2.gz JQMPQBXCQOOZDA-NHCUHLMSSA-N 2 0 459.683 3.052 20 0 JGADRP C[C@@H]1CCCC[N@@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305019713 1068065962 /nfs/dbraw/zinc/06/59/62/1068065962.db2.gz RGOQQKXWOZJZBI-YADHBBJMSA-N 2 0 494.750 3.145 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001305024395 1068078007 /nfs/dbraw/zinc/07/80/07/1068078007.db2.gz YVUCPELJTZGXRK-IRLDBZIGSA-N 2 0 473.710 3.296 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001305028410 1068085014 /nfs/dbraw/zinc/08/50/14/1068085014.db2.gz FZIXOEGPCCONOH-VQTJNVASSA-N 2 0 487.718 3.357 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001305043551 1068099832 /nfs/dbraw/zinc/09/98/32/1068099832.db2.gz SJCOIGLKGQFRFM-JOCHJYFZSA-N 2 0 473.710 3.383 20 0 JGADRP C[C@@H]1CCC[N@H+](CCn2c(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050143 1068111790 /nfs/dbraw/zinc/11/17/90/1068111790.db2.gz SNCJQAOKVFMHNI-FYYLOGMGSA-N 2 0 454.663 3.163 20 0 JGADRP C[C@@H]1CCC[N@H+](CCn2c(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050144 1068111838 /nfs/dbraw/zinc/11/18/38/1068111838.db2.gz SNCJQAOKVFMHNI-GGAORHGYSA-N 2 0 454.663 3.163 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001305051382 1068115086 /nfs/dbraw/zinc/11/50/86/1068115086.db2.gz ZJADYNYSPTVQQN-FDFHNCONSA-N 2 0 489.709 3.311 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305063990 1068134571 /nfs/dbraw/zinc/13/45/71/1068134571.db2.gz JTCXQZHLMPTIPS-PKTZIBPZSA-N 2 0 481.689 3.247 20 0 JGADRP C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001305065909 1068137481 /nfs/dbraw/zinc/13/74/81/1068137481.db2.gz JEBCGXTWECFCRH-QFIPXVFZSA-N 2 0 481.689 3.203 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001305105858 1068173626 /nfs/dbraw/zinc/17/36/26/1068173626.db2.gz FLWAUDNNJQRQBY-GOTSBHOMSA-N 2 0 473.710 3.097 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001305107971 1068176313 /nfs/dbraw/zinc/17/63/13/1068176313.db2.gz LAYUKWKDUFBSOK-RPWUZVMVSA-N 2 0 487.737 3.485 20 0 JGADRP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001305113263 1068189439 /nfs/dbraw/zinc/18/94/39/1068189439.db2.gz SKCQDSAPRDQWEX-VSKRKVRLSA-N 2 0 476.710 3.371 20 0 JGADRP C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001305114234 1068191154 /nfs/dbraw/zinc/19/11/54/1068191154.db2.gz QRXLDBUDFMKGAQ-OYRHEFFESA-N 2 0 484.693 3.181 20 0 JGADRP C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C[C@@H](C)O1 ZINC001305113854 1068191290 /nfs/dbraw/zinc/19/12/90/1068191290.db2.gz QRXLDBUDFMKGAQ-NHCUHLMSSA-N 2 0 484.693 3.181 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305125715 1068212789 /nfs/dbraw/zinc/21/27/89/1068212789.db2.gz ZTVMZAMOKCPAQT-NHCUHLMSSA-N 2 0 473.710 3.237 20 0 JGADRP C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001303719205 1068268047 /nfs/dbraw/zinc/26/80/47/1068268047.db2.gz SVUBAWVIEOXACN-UXHICEINSA-N 2 0 477.698 3.263 20 0 JGADRP C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC001303729256 1068284839 /nfs/dbraw/zinc/28/48/39/1068284839.db2.gz YUEITVYGZLXDKI-OAQYLSRUSA-N 2 0 472.653 3.287 20 0 JGADRP C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303734429 1068290727 /nfs/dbraw/zinc/29/07/27/1068290727.db2.gz INZADYZCQDIKAZ-YADHBBJMSA-N 2 0 454.663 3.093 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001303750664 1068310754 /nfs/dbraw/zinc/31/07/54/1068310754.db2.gz AOQKJXWFNIQYIN-BWKNWUBXSA-N 2 0 462.683 3.017 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303752812 1068314166 /nfs/dbraw/zinc/31/41/66/1068314166.db2.gz UDBJGQJIRLQULW-ATIYNZHBSA-N 2 0 476.710 3.361 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305458108 1068699790 /nfs/dbraw/zinc/69/97/90/1068699790.db2.gz MKDWWOVXOGWGRZ-GOTSBHOMSA-N 2 0 489.753 3.286 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001305520222 1068771416 /nfs/dbraw/zinc/77/14/16/1068771416.db2.gz UOIIELMSQHTTPS-NZQKXSOJSA-N 2 0 454.663 3.327 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305540038 1068808200 /nfs/dbraw/zinc/80/82/00/1068808200.db2.gz HXGMUNVBRPBAEJ-OYRHQHFDSA-N 2 0 495.716 3.445 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305540033 1068808844 /nfs/dbraw/zinc/80/88/44/1068808844.db2.gz HXGMUNVBRPBAEJ-ARNLJNQMSA-N 2 0 495.716 3.445 20 0 JGADRP CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544833 1068821721 /nfs/dbraw/zinc/82/17/21/1068821721.db2.gz RTGYTMLYKLVWBH-LOSJGSFVSA-N 2 0 489.753 3.145 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001305602163 1068864882 /nfs/dbraw/zinc/86/48/82/1068864882.db2.gz APLHQJYLJYPWNX-NHCUHLMSSA-N 2 0 455.651 3.408 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001305602166 1068865082 /nfs/dbraw/zinc/86/50/82/1068865082.db2.gz APLHQJYLJYPWNX-SFTDATJTSA-N 2 0 455.651 3.408 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001305602568 1068866473 /nfs/dbraw/zinc/86/64/73/1068866473.db2.gz COAFWTQDIYAKSE-JOCHJYFZSA-N 2 0 490.656 3.368 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001305607846 1068877163 /nfs/dbraw/zinc/87/71/63/1068877163.db2.gz ZLWWDPSAGAZHBJ-HXUWFJFHSA-N 2 0 468.650 3.110 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001305608880 1068879564 /nfs/dbraw/zinc/87/95/64/1068879564.db2.gz VBCQRIBKTUEYJH-FQEVSTJZSA-N 2 0 488.080 3.073 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001305613568 1068888926 /nfs/dbraw/zinc/88/89/26/1068888926.db2.gz WMUJIVCHVUNHNQ-SFTDATJTSA-N 2 0 470.662 3.374 20 0 JGADRP CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673188 1069022746 /nfs/dbraw/zinc/02/27/46/1069022746.db2.gz QXOJNQZQAQWJCY-ICDZXHCJSA-N 2 0 495.716 3.293 20 0 JGADRP CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001305704966 1069091992 /nfs/dbraw/zinc/09/19/92/1069091992.db2.gz HGIMYOHAUSBLQK-DEOSSOPVSA-N 2 0 479.677 3.152 20 0 JGADRP CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC001305706719 1069096362 /nfs/dbraw/zinc/09/63/62/1069096362.db2.gz OTAOUYGMSLFUBH-QFIPXVFZSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001305707144 1069097440 /nfs/dbraw/zinc/09/74/40/1069097440.db2.gz PVGSFPRPJJBPMS-REWPJTCUSA-N 2 0 457.667 3.188 20 0 JGADRP CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](CC)[C@H](C)C1)[NH+]1CCOCC1 ZINC001305715629 1069120986 /nfs/dbraw/zinc/12/09/86/1069120986.db2.gz NGGKDAQJIZIHKH-PUHATCMVSA-N 2 0 462.683 3.187 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[NH+](CC)C[C@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001305738050 1069161582 /nfs/dbraw/zinc/16/15/82/1069161582.db2.gz KUVIAELVUGXLKO-WOJBJXKFSA-N 2 0 461.699 3.380 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744085 1069182510 /nfs/dbraw/zinc/18/25/10/1069182510.db2.gz ZTSHTHPOKHEVMM-LEWJYISDSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001305771568 1069248790 /nfs/dbraw/zinc/24/87/90/1069248790.db2.gz BAMRLGJXYGRMFO-OAQYLSRUSA-N 2 0 463.715 3.483 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305778283 1069265554 /nfs/dbraw/zinc/26/55/54/1069265554.db2.gz AOZVDCYRXYBBMY-HXUWFJFHSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305786145 1069289490 /nfs/dbraw/zinc/28/94/90/1069289490.db2.gz RCSBTMNBYTZLMU-UGKGYDQZSA-N 2 0 455.651 3.030 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC[NH+]1CCCC1 ZINC001305786326 1069290161 /nfs/dbraw/zinc/29/01/61/1069290161.db2.gz UURJUUOWQJGWJY-UHFFFAOYSA-N 2 0 459.683 3.137 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305787455 1069294497 /nfs/dbraw/zinc/29/44/97/1069294497.db2.gz AFXCTEKMLMCAJT-PKTZIBPZSA-N 2 0 485.652 3.313 20 0 JGADRP Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc(N2CCCC2)[nH+]1 ZINC001164681393 719658523 /nfs/dbraw/zinc/65/85/23/719658523.db2.gz NNHBVHZKKTZYHU-QFIPXVFZSA-N 2 0 476.669 3.479 20 0 JGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164715545 720107581 /nfs/dbraw/zinc/10/75/81/720107581.db2.gz HUXSBKSGXLWZDH-NRFANRHFSA-N 2 0 471.049 3.500 20 0 JGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164714870 720153239 /nfs/dbraw/zinc/15/32/39/720153239.db2.gz ZYQBXSGZSVTRCE-HSZRJFAPSA-N 3 0 465.642 3.457 20 0 JGADRP COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164872355 721225584 /nfs/dbraw/zinc/22/55/84/721225584.db2.gz NNMZYZDNYSPBCI-OAQYLSRUSA-N 2 0 481.641 3.041 20 0 JGADRP Cc1nc(COC[C@@H]2Cn3nccc3CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)cs1 ZINC001164875518 721332283 /nfs/dbraw/zinc/33/22/83/721332283.db2.gz LUMIDPDCSORPOH-IBGZPJMESA-N 2 0 468.627 3.369 20 0 JGADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885523 721453607 /nfs/dbraw/zinc/45/36/07/721453607.db2.gz FBPXRUJSAHAWQQ-ZJSXRUAMSA-N 2 0 496.046 3.422 20 0 JGADRP c1ccc(C[N@@H+]2CCc3nc(N(C[C@@H]4OC[C@H]5CC[NH2+]C[C@H]45)c4ncccn4)ccc3C2)cc1 ZINC001164793274 721484282 /nfs/dbraw/zinc/48/42/82/721484282.db2.gz UBTWRSPIHGKRFD-CUYJMHBOSA-N 2 0 456.594 3.193 20 0 JGADRP C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009067 721691840 /nfs/dbraw/zinc/69/18/40/721691840.db2.gz NNXRIRMPUOSJCK-BLFHIAQRSA-N 2 0 465.598 3.352 20 0 JGADRP CCc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(N2CCOCC2)[nH+]1 ZINC001164939687 721928657 /nfs/dbraw/zinc/92/86/57/721928657.db2.gz OMIKLBQBDMTTFZ-UHFFFAOYSA-N 2 0 451.615 3.055 20 0 JGADRP CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+]1CCCC1 ZINC001305804615 1069330338 /nfs/dbraw/zinc/33/03/38/1069330338.db2.gz UOOXQPYAGXKMDJ-DHIUTWEWSA-N 2 0 473.710 3.383 20 0 JGADRP CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1)[NH+]1CCCC1 ZINC001305815974 1069349371 /nfs/dbraw/zinc/34/93/71/1069349371.db2.gz QRZUIRFKNYATBR-JOCHJYFZSA-N 2 0 488.702 3.190 20 0 JGADRP CC[C@H](Cn1c(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305848993 1069400515 /nfs/dbraw/zinc/40/05/15/1069400515.db2.gz CSOGTCPNXTYWRO-RJGXRXQPSA-N 2 0 459.727 3.445 20 0 JGADRP CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001305920513 1069475824 /nfs/dbraw/zinc/47/58/24/1069475824.db2.gz SGVYRSSJRPIJDW-XMMPIXPASA-N 2 0 454.663 3.254 20 0 JGADRP C[N@@H+]1CC[C@@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001298880617 1064685749 /nfs/dbraw/zinc/68/57/49/1064685749.db2.gz WPHLVRYCMPVGNH-DEOSSOPVSA-N 2 0 461.054 3.223 20 0 JGADRP CO[C@]1(C)CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001299767655 1064964632 /nfs/dbraw/zinc/96/46/32/1064964632.db2.gz GIDPENJVAXPDHP-MUUNZHRXSA-N 2 0 497.732 3.236 20 0 JGADRP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2C[C@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299844692 1065043832 /nfs/dbraw/zinc/04/38/32/1065043832.db2.gz UYCJHUSEKUPMLF-ZVDOUQERSA-N 2 0 456.635 3.364 20 0 JGADRP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC[N@H+](C)C(C)C ZINC001299908735 1065153432 /nfs/dbraw/zinc/15/34/32/1065153432.db2.gz ATEXPGVQHPNUFX-LJQANCHMSA-N 2 0 477.053 3.106 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492250159 1065349819 /nfs/dbraw/zinc/34/98/19/1065349819.db2.gz JDMCGOCRHXVKHB-UNMCSNQZSA-N 2 0 453.635 3.162 20 0 JGADRP Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCOCC[NH+](C)C)cc1 ZINC001492454714 1065505681 /nfs/dbraw/zinc/50/56/81/1065505681.db2.gz ZAKKDWQVANNCKQ-RTWAWAEBSA-N 2 0 458.676 3.130 20 0 JGADRP COC[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300979073 1065789216 /nfs/dbraw/zinc/78/92/16/1065789216.db2.gz UIXYQDRUSTYCLB-XMMPIXPASA-N 2 0 497.732 3.236 20 0 JGADRP COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001301607722 1066455266 /nfs/dbraw/zinc/45/52/66/1066455266.db2.gz PMXQUJTXVBIYFL-UHFFFAOYSA-N 2 0 465.017 3.380 20 0 JGADRP COCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301610909 1066458908 /nfs/dbraw/zinc/45/89/08/1066458908.db2.gz YIJIHGRVGQNSOH-UHFFFAOYSA-N 2 0 455.651 3.009 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001302068823 1066472670 /nfs/dbraw/zinc/47/26/70/1066472670.db2.gz PYIBJWOEXVOIBR-TZBSWOFLSA-N 2 0 464.699 3.433 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302072199 1066482036 /nfs/dbraw/zinc/48/20/36/1066482036.db2.gz LHGMVDUTQUJDRH-QFIPXVFZSA-N 2 0 462.683 3.189 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302078694 1066492149 /nfs/dbraw/zinc/49/21/49/1066492149.db2.gz LRRWTRLAQKCEGK-NHCUHLMSSA-N 2 0 450.672 3.045 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001301723274 1066634118 /nfs/dbraw/zinc/63/41/18/1066634118.db2.gz YBKXHDDZFYPMKZ-UHFFFAOYSA-N 2 0 494.482 3.069 20 0 JGADRP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001302191098 1066673515 /nfs/dbraw/zinc/67/35/15/1066673515.db2.gz QJGLHKKFOHZCAQ-QFIPXVFZSA-N 2 0 469.678 3.135 20 0 JGADRP CC(C)(C)CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001302192908 1066678201 /nfs/dbraw/zinc/67/82/01/1066678201.db2.gz NCVJBGLBACIHBQ-UHFFFAOYSA-N 2 0 460.711 3.416 20 0 JGADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001302200678 1066694742 /nfs/dbraw/zinc/69/47/42/1066694742.db2.gz QUGHPDILXIBFQC-UHFFFAOYSA-N 2 0 468.690 3.221 20 0 JGADRP CC(C)(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001302201707 1066696780 /nfs/dbraw/zinc/69/67/80/1066696780.db2.gz ASDHZAJEUHNSJL-FQEVSTJZSA-N 2 0 490.643 3.305 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)n1CC[N@H+](C)C(C)C ZINC001302282585 1066852322 /nfs/dbraw/zinc/85/23/22/1066852322.db2.gz FBQPNGVOOCQUFJ-VJTSUQJLSA-N 2 0 484.689 3.443 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301878208 1066881762 /nfs/dbraw/zinc/88/17/62/1066881762.db2.gz ULCFCRGXLJGVKG-JTHBVZDNSA-N 2 0 470.662 3.288 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001301886106 1066895794 /nfs/dbraw/zinc/89/57/94/1066895794.db2.gz RMPHSMOGSJJYNG-YADHBBJMSA-N 2 0 470.662 3.375 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301888790 1066904733 /nfs/dbraw/zinc/90/47/33/1066904733.db2.gz PITCBGNWZGEOTQ-VQTJNVASSA-N 2 0 461.054 3.487 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001301889470 1066907362 /nfs/dbraw/zinc/90/73/62/1066907362.db2.gz ZNAAOTMOEGIBNK-XLIONFOSSA-N 2 0 458.632 3.368 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001301893056 1066914136 /nfs/dbraw/zinc/91/41/36/1066914136.db2.gz ZVTCPYMBDBOWMK-FPOVZHCZSA-N 2 0 454.644 3.466 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301898326 1066922220 /nfs/dbraw/zinc/92/22/20/1066922220.db2.gz LBQILEVSHOYVPY-OFNKIYASSA-N 2 0 451.619 3.041 20 0 JGADRP Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304029757 1067077608 /nfs/dbraw/zinc/07/76/08/1067077608.db2.gz MLASYWAQFDMJPX-YMPZKCBVSA-N 2 0 470.662 3.144 20 0 JGADRP Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304140961 1067182969 /nfs/dbraw/zinc/18/29/69/1067182969.db2.gz VHPHADULWLAJFW-NBGIEHNGSA-N 2 0 491.080 3.285 20 0 JGADRP Cc1cc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2n1 ZINC001304195639 1067245435 /nfs/dbraw/zinc/24/54/35/1067245435.db2.gz FTGKTIMEXYCGIH-NRFANRHFSA-N 2 0 465.646 3.299 20 0 JGADRP CC(C)c1nnc(N2CCC[NH+](Cc3ccccc3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302667994 1067295132 /nfs/dbraw/zinc/29/51/32/1067295132.db2.gz HVQLZRHCCDDVJM-XMMPIXPASA-N 2 0 481.689 3.057 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691792 1067316912 /nfs/dbraw/zinc/31/69/12/1067316912.db2.gz FUDQYPOELDOPOR-LADGPHEKSA-N 2 0 481.689 3.055 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302691796 1067316974 /nfs/dbraw/zinc/31/69/74/1067316974.db2.gz FUDQYPOELDOPOR-VWNXMTODSA-N 2 0 481.689 3.055 20 0 JGADRP CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC001302807360 1067394781 /nfs/dbraw/zinc/39/47/81/1067394781.db2.gz DTSWESUHQZANQY-LEWJYISDSA-N 2 0 476.069 3.271 20 0 JGADRP CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001302818558 1067406067 /nfs/dbraw/zinc/40/60/67/1067406067.db2.gz NHEGLJOWRIGUNQ-NRFANRHFSA-N 2 0 494.688 3.089 20 0 JGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001302866784 1067447872 /nfs/dbraw/zinc/44/78/72/1067447872.db2.gz QYFOKJAUIHGAAN-JOCHJYFZSA-N 2 0 454.663 3.399 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302961113 1067532236 /nfs/dbraw/zinc/53/22/36/1067532236.db2.gz INCPEWIALRHVRB-VWNXMTODSA-N 2 0 454.663 3.034 20 0 JGADRP Cc1cccc(-c2nnc(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304468665 1067547567 /nfs/dbraw/zinc/54/75/67/1067547567.db2.gz HCGHWHPBODHIEE-UHFFFAOYSA-N 2 0 482.721 3.231 20 0 JGADRP Cc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001304477092 1067555277 /nfs/dbraw/zinc/55/52/77/1067555277.db2.gz FALOUWMCVZZOQQ-DHIUTWEWSA-N 2 0 469.678 3.173 20 0 JGADRP Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304478816 1067557934 /nfs/dbraw/zinc/55/79/34/1067557934.db2.gz MIAPJYOFSHFISX-SZPZYZBQSA-N 2 0 469.678 3.314 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304560355 1067629891 /nfs/dbraw/zinc/62/98/91/1067629891.db2.gz UFGSSGQWCZBYGE-VWLOTQADSA-N 2 0 495.716 3.039 20 0 JGADRP CC(C)CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001303095650 1067632087 /nfs/dbraw/zinc/63/20/87/1067632087.db2.gz PMAUCHBSLILLME-MHZLTWQESA-N 2 0 484.689 3.403 20 0 JGADRP Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001304571339 1067639431 /nfs/dbraw/zinc/63/94/31/1067639431.db2.gz ZCZJCBSVTPJTKG-QHCPKHFHSA-N 2 0 495.697 3.411 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001303185149 1067719544 /nfs/dbraw/zinc/71/95/44/1067719544.db2.gz UQHYOYIVSFNPRD-ZEVJAHDQSA-N 2 0 476.710 3.217 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001303188713 1067722630 /nfs/dbraw/zinc/72/26/30/1067722630.db2.gz HGDRFMPETDQGKY-QFIPXVFZSA-N 2 0 464.662 3.367 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001303208038 1067746007 /nfs/dbraw/zinc/74/60/07/1067746007.db2.gz WFFQFWTZLUDQIH-RUZDIDTESA-N 2 0 483.705 3.177 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303255990 1067782905 /nfs/dbraw/zinc/78/29/05/1067782905.db2.gz GUXKIODGBZFYBL-UHFFFAOYSA-N 2 0 457.667 3.065 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303257911 1067784526 /nfs/dbraw/zinc/78/45/26/1067784526.db2.gz JIGDYZWFWAPIET-QHCPKHFHSA-N 2 0 476.710 3.312 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001303261623 1067788178 /nfs/dbraw/zinc/78/81/78/1067788178.db2.gz PPFKDYSPNSYPMP-AEFFLSMTSA-N 2 0 464.456 3.439 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001303268343 1067795837 /nfs/dbraw/zinc/79/58/37/1067795837.db2.gz GCIFGSHPXSJFNN-NVXWUHKLSA-N 2 0 450.429 3.049 20 0 JGADRP CC(C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001303278620 1067807247 /nfs/dbraw/zinc/80/72/47/1067807247.db2.gz LJTCOUJJGCVYDI-FQEVSTJZSA-N 2 0 474.625 3.026 20 0 JGADRP CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC001303290874 1067814796 /nfs/dbraw/zinc/81/47/96/1067814796.db2.gz GLRFWSHIJANHSJ-UHFFFAOYSA-N 2 0 469.678 3.398 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[NH+]2CCCO)CC1 ZINC001303307327 1067834792 /nfs/dbraw/zinc/83/47/92/1067834792.db2.gz APNOBVSQRCLJKD-FQEVSTJZSA-N 2 0 461.054 3.366 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304754983 1067837308 /nfs/dbraw/zinc/83/73/08/1067837308.db2.gz URGRXOIWHOTIQD-UHFFFAOYSA-N 2 0 456.683 3.325 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001303310800 1067839489 /nfs/dbraw/zinc/83/94/89/1067839489.db2.gz MFMFFZXYPFEJMU-JOCHJYFZSA-N 2 0 453.679 3.317 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001303311177 1067840152 /nfs/dbraw/zinc/84/01/52/1067840152.db2.gz SRLDFZUOFBGAKV-UHFFFAOYSA-N 2 0 466.472 3.164 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001303316939 1067844849 /nfs/dbraw/zinc/84/48/49/1067844849.db2.gz GWVDWZYLLJQWBK-UHFFFAOYSA-N 2 0 468.671 3.450 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001304759643 1067845219 /nfs/dbraw/zinc/84/52/19/1067845219.db2.gz KYPYQIFOXBBJOW-NHCUHLMSSA-N 2 0 470.710 3.428 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001304759646 1067845668 /nfs/dbraw/zinc/84/56/68/1067845668.db2.gz KYPYQIFOXBBJOW-SFTDATJTSA-N 2 0 470.710 3.428 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001304762922 1067850507 /nfs/dbraw/zinc/85/05/07/1067850507.db2.gz HDIVKUHHZBPTIV-OAQYLSRUSA-N 2 0 470.710 3.430 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001303368938 1067897880 /nfs/dbraw/zinc/89/78/80/1067897880.db2.gz DDCVJSXFFYPVAT-QHCPKHFHSA-N 2 0 473.710 3.382 20 0 JGADRP Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCC[NH+](C)CCCNC(=O)OC(C)(C)C ZINC001304855711 1067906155 /nfs/dbraw/zinc/90/61/55/1067906155.db2.gz GNDSCUFOFUERMG-FQEVSTJZSA-N 2 0 477.698 3.134 20 0 JGADRP Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304857963 1067907588 /nfs/dbraw/zinc/90/75/88/1067907588.db2.gz DQCDXVMHXZRGNN-HFMPRLQTSA-N 2 0 454.663 3.199 20 0 JGADRP Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001304858897 1067908831 /nfs/dbraw/zinc/90/88/31/1067908831.db2.gz BQPYMBNTSCXDIS-DNVJHFABSA-N 2 0 453.679 3.102 20 0 JGADRP Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001304860081 1067910068 /nfs/dbraw/zinc/91/00/68/1067910068.db2.gz MBONVDXHMBMJEC-UHFFFAOYSA-N 2 0 453.679 3.357 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001303396715 1067924533 /nfs/dbraw/zinc/92/45/33/1067924533.db2.gz QERBFPJQXBXHRM-UHFFFAOYSA-N 2 0 499.704 3.106 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303407182 1067934117 /nfs/dbraw/zinc/93/41/17/1067934117.db2.gz AZVMHMJDUSPRAK-QFIPXVFZSA-N 2 0 481.689 3.392 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304913267 1067957600 /nfs/dbraw/zinc/95/76/00/1067957600.db2.gz VVJSMZWCOWJXHT-BGYRXZFFSA-N 2 0 454.667 3.458 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001303462360 1067981468 /nfs/dbraw/zinc/98/14/68/1067981468.db2.gz ABYATZVWKQKHGR-HNNXBMFYSA-N 2 0 464.456 3.485 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303466992 1067986067 /nfs/dbraw/zinc/98/60/67/1067986067.db2.gz WSILDLQZQMPADW-UHFFFAOYSA-N 2 0 460.692 3.133 20 0 JGADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001304965181 1068007250 /nfs/dbraw/zinc/00/72/50/1068007250.db2.gz IMFCLLPAFUPERZ-GOTSBHOMSA-N 2 0 459.727 3.347 20 0 JGADRP C[C@@H]1CCC[C@](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC001304982385 1068023512 /nfs/dbraw/zinc/02/35/12/1068023512.db2.gz AHHSFMWPHBMMAK-AMGIVPHBSA-N 2 0 487.737 3.122 20 0 JGADRP C[C@H]1CCC[C@@](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC001304982389 1068023684 /nfs/dbraw/zinc/02/36/84/1068023684.db2.gz AHHSFMWPHBMMAK-WXVAWEFUSA-N 2 0 487.737 3.122 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304982569 1068024043 /nfs/dbraw/zinc/02/40/43/1068024043.db2.gz GXLWKQIFLVIOKK-RLWLMLJZSA-N 2 0 475.726 3.483 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H](C)[N@H+](C)C2CC2)CCOC1 ZINC001303503272 1068034377 /nfs/dbraw/zinc/03/43/77/1068034377.db2.gz BZSDCSBYTOKMEF-HFZDXXHNSA-N 2 0 476.710 3.360 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCSCC2)CC1 ZINC001303566770 1068089663 /nfs/dbraw/zinc/08/96/63/1068089663.db2.gz KJKNAYGTYNQUMM-UHFFFAOYSA-N 2 0 479.094 3.194 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001303569935 1068093284 /nfs/dbraw/zinc/09/32/84/1068093284.db2.gz KYFSSTGCLXMHBR-UHFFFAOYSA-N 2 0 455.651 3.152 20 0 JGADRP C[C@H]1CCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001305061014 1068126414 /nfs/dbraw/zinc/12/64/14/1068126414.db2.gz XLMRGPGZOFAHHV-GMAHTHKFSA-N 2 0 454.663 3.207 20 0 JGADRP C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001305113262 1068189195 /nfs/dbraw/zinc/18/91/95/1068189195.db2.gz SKCQDSAPRDQWEX-BHIFYINESA-N 2 0 476.710 3.371 20 0 JGADRP C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303663718 1068195630 /nfs/dbraw/zinc/19/56/30/1068195630.db2.gz OQFBCWJWIBNLKQ-QFIPXVFZSA-N 2 0 481.689 3.345 20 0 JGADRP C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC001303692281 1068233433 /nfs/dbraw/zinc/23/34/33/1068233433.db2.gz UHXDXCYTTRHSCZ-SFHVURJKSA-N 2 0 491.478 3.206 20 0 JGADRP C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001303719206 1068267910 /nfs/dbraw/zinc/26/79/10/1068267910.db2.gz SVUBAWVIEOXACN-VQTJNVASSA-N 2 0 477.698 3.263 20 0 JGADRP C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001303719204 1068267927 /nfs/dbraw/zinc/26/79/27/1068267927.db2.gz SVUBAWVIEOXACN-PMACEKPBSA-N 2 0 477.698 3.263 20 0 JGADRP C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001303735201 1068292402 /nfs/dbraw/zinc/29/24/02/1068292402.db2.gz WFCJRNIKQJSKNN-QDPGVEIFSA-N 2 0 497.732 3.234 20 0 JGADRP C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C ZINC001303739411 1068300244 /nfs/dbraw/zinc/30/02/44/1068300244.db2.gz RBPTWDQZKAIWGV-SLFFLAALSA-N 2 0 477.698 3.310 20 0 JGADRP CC(C)[NH+]1CCN(C2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@@H](C)[NH+](C)C)CC2)CC1 ZINC001303743243 1068302162 /nfs/dbraw/zinc/30/21/62/1068302162.db2.gz MSXMQUSQPVWMAX-GMKZXUHWSA-N 2 0 489.753 3.142 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303752430 1068313243 /nfs/dbraw/zinc/31/32/43/1068313243.db2.gz RNMCDVQJKQBWRE-UPVQGACJSA-N 2 0 454.663 3.379 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001303752428 1068313352 /nfs/dbraw/zinc/31/33/52/1068313352.db2.gz RNMCDVQJKQBWRE-ISKFKSNPSA-N 2 0 454.663 3.379 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303752814 1068314087 /nfs/dbraw/zinc/31/40/87/1068314087.db2.gz UDBJGQJIRLQULW-GJZUVCINSA-N 2 0 476.710 3.361 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001303752973 1068314377 /nfs/dbraw/zinc/31/43/77/1068314377.db2.gz VBURISGCFAGSIP-VSKRKVRLSA-N 2 0 489.709 3.311 20 0 JGADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCC[NH+](C)C ZINC001305219155 1068356125 /nfs/dbraw/zinc/35/61/25/1068356125.db2.gz AYZLUMCNALMCQG-FUHWJXTLSA-N 2 0 495.441 3.098 20 0 JGADRP C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC001303895886 1068534458 /nfs/dbraw/zinc/53/44/58/1068534458.db2.gz TZYKYLWSONMSQK-UXHICEINSA-N 2 0 474.625 3.056 20 0 JGADRP CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CC[NH+](CC)C1 ZINC001305403582 1068644326 /nfs/dbraw/zinc/64/43/26/1068644326.db2.gz MCNUIXKEJCIHCW-CUDBPUKSSA-N 2 0 456.683 3.386 20 0 JGADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001305512605 1068755338 /nfs/dbraw/zinc/75/53/38/1068755338.db2.gz GFBBMWIWSIOXEN-WMTXJRDZSA-N 2 0 481.689 3.055 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305540947 1068811103 /nfs/dbraw/zinc/81/11/03/1068811103.db2.gz YBDGBFRTZMICSW-DEOSSOPVSA-N 2 0 467.706 3.387 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001305602569 1068865956 /nfs/dbraw/zinc/86/59/56/1068865956.db2.gz COAFWTQDIYAKSE-QFIPXVFZSA-N 2 0 490.656 3.368 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305603251 1068867099 /nfs/dbraw/zinc/86/70/99/1068867099.db2.gz AHAAPWBDVHOKFI-ICSRJNTNSA-N 2 0 462.042 3.025 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305609215 1068881298 /nfs/dbraw/zinc/88/12/98/1068881298.db2.gz SAEYSRSRYHONGA-UPVQGACJSA-N 2 0 483.705 3.289 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001305609451 1068881689 /nfs/dbraw/zinc/88/16/89/1068881689.db2.gz DHMSLXKVSQMDOK-NHCUHLMSSA-N 2 0 467.662 3.324 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001305615484 1068893532 /nfs/dbraw/zinc/89/35/32/1068893532.db2.gz WPSMZJZZRXOZJS-FDFHNCONSA-N 2 0 456.683 3.500 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001305616077 1068894906 /nfs/dbraw/zinc/89/49/06/1068894906.db2.gz YRWMVNMZLYDHQK-SFTDATJTSA-N 2 0 455.651 3.068 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305616207 1068895622 /nfs/dbraw/zinc/89/56/22/1068895622.db2.gz UJLQRDKNNBOAEV-CJRSTVEYSA-N 2 0 475.726 3.245 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001305616384 1068895673 /nfs/dbraw/zinc/89/56/73/1068895673.db2.gz AKFFKGIQEAESQV-HXUWFJFHSA-N 2 0 458.626 3.039 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001305616383 1068896062 /nfs/dbraw/zinc/89/60/62/1068896062.db2.gz AKFFKGIQEAESQV-FQEVSTJZSA-N 2 0 458.626 3.039 20 0 JGADRP CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001305704344 1069090538 /nfs/dbraw/zinc/09/05/38/1069090538.db2.gz FAJSHLUJPFPKPU-REWPJTCUSA-N 2 0 473.710 3.191 20 0 JGADRP CCC(CC)[C@@H](Cn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305713827 1069116470 /nfs/dbraw/zinc/11/64/70/1069116470.db2.gz HHXOJBTZNANBLL-HSZRJFAPSA-N 2 0 476.710 3.014 20 0 JGADRP CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](CC)[C@H](C)C1)[NH+]1CCOCC1 ZINC001305715627 1069121120 /nfs/dbraw/zinc/12/11/20/1069121120.db2.gz NGGKDAQJIZIHKH-AKIFATBCSA-N 2 0 462.683 3.187 20 0 JGADRP CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001305718007 1069125461 /nfs/dbraw/zinc/12/54/61/1069125461.db2.gz XKTHBAIDZHQOPS-GOTSBHOMSA-N 2 0 456.683 3.181 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001305756919 1069212310 /nfs/dbraw/zinc/21/23/10/1069212310.db2.gz MKRHYHFWSOBSCK-NRFANRHFSA-N 2 0 491.750 3.089 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001305756920 1069212327 /nfs/dbraw/zinc/21/23/27/1069212327.db2.gz MKRHYHFWSOBSCK-OAQYLSRUSA-N 2 0 491.750 3.089 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305769528 1069244545 /nfs/dbraw/zinc/24/45/45/1069244545.db2.gz HDTWQYDOBBCNGB-FCHUYYIVSA-N 2 0 459.683 3.136 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001305776071 1069258801 /nfs/dbraw/zinc/25/88/01/1069258801.db2.gz IYSXHUGRRAPMSO-UHFFFAOYSA-N 2 0 459.683 3.136 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305787454 1069294381 /nfs/dbraw/zinc/29/43/81/1069294381.db2.gz AFXCTEKMLMCAJT-GOTSBHOMSA-N 2 0 485.652 3.313 20 0 JGADRP Clc1ncc2c(c1N1CC[C@H]3[NH2+]CCO[C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164388353 718823948 /nfs/dbraw/zinc/82/39/48/718823948.db2.gz AVWRCPJKJMSGQF-FGZHOGPDSA-N 2 0 455.002 3.324 20 0 JGADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c21 ZINC001164406947 718863515 /nfs/dbraw/zinc/86/35/15/718863515.db2.gz HXRVJIWCZRSIEA-FPOVZHCZSA-N 2 0 483.012 3.211 20 0 JGADRP C[NH+]1CCN(c2cccc(N(Cc3cccnc3)c3ccc4nc(C5CC[NH2+]CC5)nn4c3)n2)CC1 ZINC001164629741 719138876 /nfs/dbraw/zinc/13/88/76/719138876.db2.gz DDJYHAOUPCDFJZ-UHFFFAOYSA-N 2 0 483.624 3.076 20 0 JGADRP C[N@@H+]1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]21 ZINC001164669269 719426809 /nfs/dbraw/zinc/42/68/09/719426809.db2.gz LMXLIZNSZWEVNY-FCHUYYIVSA-N 2 0 455.002 3.276 20 0 JGADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(-n4ccnc4)cc[nH+]3)CC2)c2ccccc21 ZINC001164683342 719680622 /nfs/dbraw/zinc/68/06/22/719680622.db2.gz RNPXNEBXJWJNPC-OAQYLSRUSA-N 2 0 458.610 3.361 20 0 JGADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747231 720867321 /nfs/dbraw/zinc/86/73/21/720867321.db2.gz ATIPPAMBYQUZHV-OZXSUGGESA-N 2 0 450.631 3.391 20 0 JGADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cccc(N4CCOCC4)[nH+]2)C3)c1 ZINC001164749668 720899161 /nfs/dbraw/zinc/89/91/61/720899161.db2.gz ANVTXNYURRQCBT-SHQCIBLASA-N 2 0 463.626 3.068 20 0 JGADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cccc(N4CCOCC4)[nH+]2)C3)c1 ZINC001164749656 720899353 /nfs/dbraw/zinc/89/93/53/720899353.db2.gz ANVTXNYURRQCBT-RPLLCQBOSA-N 2 0 463.626 3.068 20 0 JGADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]3C2)cn1 ZINC001164765500 721247724 /nfs/dbraw/zinc/24/77/24/721247724.db2.gz RPUNKQYSTRRVQJ-MOPGFXCFSA-N 2 0 462.976 3.348 20 0 JGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164780666 721361890 /nfs/dbraw/zinc/36/18/90/721361890.db2.gz GHPPQYPMJXTTLO-SANMLTNESA-N 2 0 469.630 3.280 20 0 JGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)cn3)C2)C1 ZINC001164784573 721375644 /nfs/dbraw/zinc/37/56/44/721375644.db2.gz QIEUAVZJOYTKAI-AREMUKBSSA-N 2 0 469.630 3.184 20 0 JGADRP CC[C@H](Cn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001305851277 1069405382 /nfs/dbraw/zinc/40/53/82/1069405382.db2.gz ZSHJOYUFQVIXOH-BWKNWUBXSA-N 2 0 462.683 3.114 20 0 JGADRP CN(CC(C)(C)C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298235670 1064141503 /nfs/dbraw/zinc/14/15/03/1064141503.db2.gz XJPBZSDNJGEESO-DEOSSOPVSA-N 2 0 467.706 3.465 20 0 JGADRP C[N@@H+]1CC[C@@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001298879940 1064685914 /nfs/dbraw/zinc/68/59/14/1064685914.db2.gz SMSNZDIEUWFZPG-DEOSSOPVSA-N 2 0 479.044 3.362 20 0 JGADRP C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298884348 1064690319 /nfs/dbraw/zinc/69/03/19/1064690319.db2.gz AQTFNJJVDNJEST-OAQYLSRUSA-N 2 0 454.667 3.414 20 0 JGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298885134 1064691004 /nfs/dbraw/zinc/69/10/04/1064691004.db2.gz GYYPHZHXOHTDFU-NRFANRHFSA-N 2 0 473.710 3.193 20 0 JGADRP CO[C@@]1(C)CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001299767656 1064964585 /nfs/dbraw/zinc/96/45/85/1064964585.db2.gz GIDPENJVAXPDHP-NDEPHWFRSA-N 2 0 497.732 3.236 20 0 JGADRP COc1cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc(OC)c1OC ZINC001299858515 1065071273 /nfs/dbraw/zinc/07/12/73/1065071273.db2.gz PPFGMXYZGYPABL-HXUWFJFHSA-N 2 0 486.661 3.232 20 0 JGADRP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001299908682 1065153362 /nfs/dbraw/zinc/15/33/62/1065153362.db2.gz ZBMPQXZFTPTXCM-LJQANCHMSA-N 2 0 491.080 3.496 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001492265852 1065358990 /nfs/dbraw/zinc/35/89/90/1065358990.db2.gz FREXPOGHPZZFJP-UHFFFAOYSA-N 2 0 467.662 3.410 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492359252 1065420561 /nfs/dbraw/zinc/42/05/61/1065420561.db2.gz HWJAYQORZVEWRP-ZEQRLZLVSA-N 2 0 483.705 3.029 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492391138 1065434484 /nfs/dbraw/zinc/43/44/84/1065434484.db2.gz NIQTYQOLXIKPTE-VXNXHJTFSA-N 2 0 483.705 3.110 20 0 JGADRP CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@H]([NH+]3CCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001301182467 1066012261 /nfs/dbraw/zinc/01/22/61/1066012261.db2.gz WIOHYFXTPGADON-QFIPXVFZSA-N 2 0 456.631 3.243 20 0 JGADRP COCC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001301503432 1066329250 /nfs/dbraw/zinc/32/92/50/1066329250.db2.gz LYWBDBFJUOJEMZ-NRFANRHFSA-N 2 0 455.651 3.046 20 0 JGADRP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302001577 1066335569 /nfs/dbraw/zinc/33/55/69/1066335569.db2.gz TZDOHPZXPALOJT-PJIZGREPSA-N 2 0 474.625 3.117 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302026037 1066385644 /nfs/dbraw/zinc/38/56/44/1066385644.db2.gz VWQHQKPFPQTIQY-VXKWHMMOSA-N 2 0 462.683 3.189 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302067726 1066470793 /nfs/dbraw/zinc/47/07/93/1066470793.db2.gz JPSLAQBEJRQCLX-OAQYLSRUSA-N 2 0 450.672 3.187 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001302068821 1066472607 /nfs/dbraw/zinc/47/26/07/1066472607.db2.gz PYIBJWOEXVOIBR-RQTOMXEWSA-N 2 0 464.699 3.433 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302092746 1066520467 /nfs/dbraw/zinc/52/04/67/1066520467.db2.gz JRZULZQUGQIGDG-FCHUYYIVSA-N 2 0 462.683 3.187 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302093279 1066521274 /nfs/dbraw/zinc/52/12/74/1066521274.db2.gz LLOYINCQIXYIQG-QFIPXVFZSA-N 2 0 462.683 3.333 20 0 JGADRP COCCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001301690908 1066578024 /nfs/dbraw/zinc/57/80/24/1066578024.db2.gz KGYFVPRJCQOMDB-UHFFFAOYSA-N 2 0 470.021 3.288 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301727657 1066645777 /nfs/dbraw/zinc/64/57/77/1066645777.db2.gz IPTBSPYSVJRXKX-UHFFFAOYSA-N 2 0 470.662 3.233 20 0 JGADRP CC(C)(C)[NH+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(F)(F)F)CC1 ZINC001302202941 1066698521 /nfs/dbraw/zinc/69/85/21/1066698521.db2.gz LOVQQXVWKTUCIN-UHFFFAOYSA-N 2 0 479.595 3.126 20 0 JGADRP CC(C)(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001302202940 1066698577 /nfs/dbraw/zinc/69/85/77/1066698577.db2.gz LNLINDKDBZEZEV-XMMPIXPASA-N 2 0 468.690 3.221 20 0 JGADRP CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCCC[NH+]2CCOCC2)CC1 ZINC001302202906 1066698749 /nfs/dbraw/zinc/69/87/49/1066698749.db2.gz LACSUXHTCVTEDD-UHFFFAOYSA-N 2 0 458.626 3.041 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001301874376 1066874903 /nfs/dbraw/zinc/87/49/03/1066874903.db2.gz HULPRYDOIHLMCL-ZJSXRUAMSA-N 2 0 470.662 3.404 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302305400 1066894258 /nfs/dbraw/zinc/89/42/58/1066894258.db2.gz OPXRIXIDIAEZLZ-FKBYEOEOSA-N 2 0 462.683 3.043 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)C)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001302309000 1066901142 /nfs/dbraw/zinc/90/11/42/1066901142.db2.gz QMRHAQFNBQNCTM-VABKMULXSA-N 2 0 462.683 3.187 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888783 1066904921 /nfs/dbraw/zinc/90/49/21/1066904921.db2.gz PHIGIMWNLZFYPZ-NZQKXSOJSA-N 2 0 491.080 3.112 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001301891588 1066912050 /nfs/dbraw/zinc/91/20/50/1066912050.db2.gz RCENAPZOVMXSFE-NRFANRHFSA-N 2 0 470.662 3.375 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301891893 1066912752 /nfs/dbraw/zinc/91/27/52/1066912752.db2.gz RQKQHWNJSXEJER-YADHBBJMSA-N 2 0 470.662 3.233 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001301892970 1066913920 /nfs/dbraw/zinc/91/39/20/1066913920.db2.gz XZOTWXIHWZKCQA-DHIUTWEWSA-N 2 0 454.663 3.470 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001301893057 1066914165 /nfs/dbraw/zinc/91/41/65/1066914165.db2.gz ZVTCPYMBDBOWMK-PZJWPPBQSA-N 2 0 454.644 3.466 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001301911971 1066938251 /nfs/dbraw/zinc/93/82/51/1066938251.db2.gz JABYNOZOBJLWHK-PTUXOGIPSA-N 2 0 474.625 3.119 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928909 1066966286 /nfs/dbraw/zinc/96/62/86/1066966286.db2.gz YDJKPHBRWWMKRX-LADGPHEKSA-N 2 0 484.689 3.443 20 0 JGADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)C[C@H]1C[NH+](C)C ZINC001302403387 1066984047 /nfs/dbraw/zinc/98/40/47/1066984047.db2.gz JMMXCGJUGCUKEU-RTBURBONSA-N 2 0 469.655 3.086 20 0 JGADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)C[C@H]1C[NH+](C)C ZINC001302406832 1066988412 /nfs/dbraw/zinc/98/84/12/1066988412.db2.gz DTIROWDVPCNMEM-QZTJIDSGSA-N 2 0 453.027 3.427 20 0 JGADRP Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCOCC[NH+](C)C)c1C ZINC001304019790 1067064007 /nfs/dbraw/zinc/06/40/07/1067064007.db2.gz KSTIRBGYEOUZIY-MDNUFGMLSA-N 2 0 470.662 3.286 20 0 JGADRP Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030155 1067078550 /nfs/dbraw/zinc/07/85/50/1067078550.db2.gz NLFXJBRDTSSMTA-GOTSBHOMSA-N 2 0 470.662 3.288 20 0 JGADRP Cc1cc(C)cc(OCc2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304175597 1067224597 /nfs/dbraw/zinc/22/45/97/1067224597.db2.gz VZFJCTMSAAFGHP-VWLOTQADSA-N 2 0 497.732 3.419 20 0 JGADRP CC(C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302634653 1067264036 /nfs/dbraw/zinc/26/40/36/1067264036.db2.gz XHOUYXPJVXOXRR-RPWUZVMVSA-N 2 0 471.669 3.448 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001302674711 1067300276 /nfs/dbraw/zinc/30/02/76/1067300276.db2.gz UTSVUQYVJYJPAM-HSZRJFAPSA-N 2 0 454.663 3.327 20 0 JGADRP CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302689332 1067313619 /nfs/dbraw/zinc/31/36/19/1067313619.db2.gz LCZXAPHETIROED-UHFFFAOYSA-N 2 0 497.732 3.385 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691789 1067317195 /nfs/dbraw/zinc/31/71/95/1067317195.db2.gz FUDQYPOELDOPOR-ISKFKSNPSA-N 2 0 481.689 3.055 20 0 JGADRP Cc1ccc(-c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304313867 1067360738 /nfs/dbraw/zinc/36/07/38/1067360738.db2.gz BBTKSZUUJKGLIF-OAQYLSRUSA-N 2 0 457.667 3.039 20 0 JGADRP Cc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304325514 1067374421 /nfs/dbraw/zinc/37/44/21/1067374421.db2.gz VXIVOSSEHVGCJH-SFTDATJTSA-N 2 0 471.694 3.429 20 0 JGADRP CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001302807362 1067394866 /nfs/dbraw/zinc/39/48/66/1067394866.db2.gz DTSWESUHQZANQY-RTWAWAEBSA-N 2 0 476.069 3.271 20 0 JGADRP CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC001302807361 1067395035 /nfs/dbraw/zinc/39/50/35/1067395035.db2.gz DTSWESUHQZANQY-NHCUHLMSSA-N 2 0 476.069 3.271 20 0 JGADRP CC(C)C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC001302820916 1067409291 /nfs/dbraw/zinc/40/92/91/1067409291.db2.gz SCSLGKITHPMQNN-ZCYQVOJMSA-N 2 0 489.753 3.143 20 0 JGADRP CC(C)C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1)[NH+](C)C ZINC001302823792 1067412493 /nfs/dbraw/zinc/41/24/93/1067412493.db2.gz VANMNJMDQDXBEX-QHCPKHFHSA-N 2 0 489.659 3.465 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@H+]2CC=CCC2)cc1C ZINC001304380011 1067426837 /nfs/dbraw/zinc/42/68/37/1067426837.db2.gz OGSIMOYLJCWTGG-UHFFFAOYSA-N 2 0 465.646 3.376 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001304383205 1067432454 /nfs/dbraw/zinc/43/24/54/1067432454.db2.gz IYEPSWOQYPYUHX-HSZRJFAPSA-N 2 0 497.688 3.179 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001304417877 1067490761 /nfs/dbraw/zinc/49/07/61/1067490761.db2.gz GGEUAPWYEQDFKN-DHIUTWEWSA-N 2 0 470.662 3.195 20 0 JGADRP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001302936429 1067509889 /nfs/dbraw/zinc/50/98/89/1067509889.db2.gz DPWBVSVQFURQNP-UHFFFAOYSA-N 2 0 456.683 3.044 20 0 JGADRP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001302937469 1067511023 /nfs/dbraw/zinc/51/10/23/1067511023.db2.gz KYIUDXMVSWGRPZ-UHFFFAOYSA-N 2 0 470.710 3.435 20 0 JGADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302938595 1067512042 /nfs/dbraw/zinc/51/20/42/1067512042.db2.gz JESWKNFHSCEBIP-TZRRMPRUSA-N 2 0 460.711 3.393 20 0 JGADRP CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[NH+]1CCCCC1 ZINC001302957630 1067529356 /nfs/dbraw/zinc/52/93/56/1067529356.db2.gz RNEZHSYCIQUSAC-UHFFFAOYSA-N 2 0 459.727 3.347 20 0 JGADRP Cc1cccc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304477095 1067555188 /nfs/dbraw/zinc/55/51/88/1067555188.db2.gz FALOUWMCVZZOQQ-PKTZIBPZSA-N 2 0 469.678 3.173 20 0 JGADRP Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001304478817 1067557993 /nfs/dbraw/zinc/55/79/93/1067557993.db2.gz MIAPJYOFSHFISX-VXKWHMMOSA-N 2 0 469.678 3.314 20 0 JGADRP CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001303175080 1067708456 /nfs/dbraw/zinc/70/84/56/1067708456.db2.gz HGNADKBIFWJMNA-QFIPXVFZSA-N 2 0 473.710 3.193 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001303177519 1067710204 /nfs/dbraw/zinc/71/02/04/1067710204.db2.gz DGNRGGKBKYXFKU-UHFFFAOYSA-N 2 0 488.080 3.124 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001303185165 1067719223 /nfs/dbraw/zinc/71/92/23/1067719223.db2.gz UYINFZFZWDQSLX-LJQANCHMSA-N 2 0 464.456 3.154 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001303197542 1067731790 /nfs/dbraw/zinc/73/17/90/1067731790.db2.gz QPJUIUBEIOYRLC-UHFFFAOYSA-N 2 0 475.081 3.411 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001303198487 1067733369 /nfs/dbraw/zinc/73/33/69/1067733369.db2.gz CCDIXXWVNUFTDL-QFIPXVFZSA-N 2 0 488.652 3.131 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001303254578 1067779648 /nfs/dbraw/zinc/77/96/48/1067779648.db2.gz BIVWNUBOJPKVTN-QFIPXVFZSA-N 2 0 473.710 3.335 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001303256400 1067783349 /nfs/dbraw/zinc/78/33/49/1067783349.db2.gz KDTPNFCGTDLGRO-RUZDIDTESA-N 2 0 495.716 3.444 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001303259754 1067786403 /nfs/dbraw/zinc/78/64/03/1067786403.db2.gz YMSUBXCZOOJMRW-IRLDBZIGSA-N 2 0 459.683 3.050 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001303261846 1067788925 /nfs/dbraw/zinc/78/89/25/1067788925.db2.gz YUJWOJSRACBWSY-OAQYLSRUSA-N 2 0 487.718 3.322 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001303267749 1067794807 /nfs/dbraw/zinc/79/48/07/1067794807.db2.gz HOOJFCFZOIEUSZ-VWNXMTODSA-N 2 0 471.669 3.167 20 0 JGADRP CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1)C(C)C ZINC001303287596 1067813342 /nfs/dbraw/zinc/81/33/42/1067813342.db2.gz MTWKHFLIPWGUHH-UHFFFAOYSA-N 2 0 473.710 3.478 20 0 JGADRP CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1)C(C)C ZINC001303291663 1067816662 /nfs/dbraw/zinc/81/66/62/1067816662.db2.gz UJUMFDKAQOOLDS-JOCHJYFZSA-N 2 0 456.683 3.500 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001303308049 1067836650 /nfs/dbraw/zinc/83/66/50/1067836650.db2.gz PCRWSNBFENPGMR-QFIPXVFZSA-N 2 0 467.445 3.239 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001303310801 1067839721 /nfs/dbraw/zinc/83/97/21/1067839721.db2.gz MFMFFZXYPFEJMU-QFIPXVFZSA-N 2 0 453.679 3.317 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303311868 1067841124 /nfs/dbraw/zinc/84/11/24/1067841124.db2.gz PHOXPDGGPMABHJ-UHFFFAOYSA-N 2 0 491.478 3.350 20 0 JGADRP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316610 1067843741 /nfs/dbraw/zinc/84/37/41/1067843741.db2.gz GPFDXQQCEZSHDO-YADHBBJMSA-N 2 0 459.727 3.301 20 0 JGADRP CC(C)[NH+]1CCN(C2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCCCCC3)CC2)CC1 ZINC001303316507 1067843856 /nfs/dbraw/zinc/84/38/56/1067843856.db2.gz BIMILYOEAUJRIF-UHFFFAOYSA-N 2 0 459.727 3.446 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001303316987 1067844755 /nfs/dbraw/zinc/84/47/55/1067844755.db2.gz MCOCKKVMSPJADF-DNQXCXABSA-N 2 0 489.753 3.001 20 0 JGADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001303317677 1067847062 /nfs/dbraw/zinc/84/70/62/1067847062.db2.gz ABBOPEARTBWSMR-QHCPKHFHSA-N 2 0 489.753 3.071 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304760752 1067847127 /nfs/dbraw/zinc/84/71/27/1067847127.db2.gz SWPWKBLDDKYNKA-UHFFFAOYSA-N 2 0 456.683 3.182 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001304761353 1067848415 /nfs/dbraw/zinc/84/84/15/1067848415.db2.gz ZZADIPWQQMKXBR-UHFFFAOYSA-N 2 0 456.683 3.325 20 0 JGADRP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCCCC3)C2)CC1 ZINC001303318411 1067849810 /nfs/dbraw/zinc/84/98/10/1067849810.db2.gz QYOLAIMFMGEYPQ-HSZRJFAPSA-N 2 0 459.727 3.347 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001304762923 1067851034 /nfs/dbraw/zinc/85/10/34/1067851034.db2.gz HGMQDVJXCRKBPX-DEOSSOPVSA-N 2 0 470.710 3.286 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303329187 1067857486 /nfs/dbraw/zinc/85/74/86/1067857486.db2.gz XPURIVODTWQLQP-ZTCOLXNVSA-N 2 0 481.689 3.246 20 0 JGADRP Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001304825025 1067894045 /nfs/dbraw/zinc/89/40/45/1067894045.db2.gz FPOSOYFRSHOBLS-QPPBQGQZSA-N 2 0 453.679 3.321 20 0 JGADRP Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001304825027 1067894237 /nfs/dbraw/zinc/89/42/37/1067894237.db2.gz FPOSOYFRSHOBLS-XUZZJYLKSA-N 2 0 453.679 3.321 20 0 JGADRP Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001304858900 1067908780 /nfs/dbraw/zinc/90/87/80/1067908780.db2.gz BQPYMBNTSCXDIS-ZRBLBEILSA-N 2 0 453.679 3.102 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001303408370 1067935412 /nfs/dbraw/zinc/93/54/12/1067935412.db2.gz VBTLXCKCZYILFK-NRFANRHFSA-N 2 0 467.662 3.001 20 0 JGADRP CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001304926928 1067971789 /nfs/dbraw/zinc/97/17/89/1067971789.db2.gz UUDLXFIGCQVWBY-GVAUOCQISA-N 2 0 489.753 3.001 20 0 JGADRP CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304926930 1067971878 /nfs/dbraw/zinc/97/18/78/1067971878.db2.gz UUDLXFIGCQVWBY-SDHSZQHLSA-N 2 0 489.753 3.001 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001303462380 1067981373 /nfs/dbraw/zinc/98/13/73/1067981373.db2.gz AVYLDTMEOYZMTH-NRFANRHFSA-N 2 0 459.683 3.136 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001303463517 1067982595 /nfs/dbraw/zinc/98/25/95/1067982595.db2.gz ULNODFDVBKJNHM-FQEVSTJZSA-N 2 0 468.650 3.157 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304978821 1068017359 /nfs/dbraw/zinc/01/73/59/1068017359.db2.gz GZEWNWPAJQBDRN-UHFFFAOYSA-N 2 0 461.699 3.236 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)CCOC1 ZINC001303501209 1068028980 /nfs/dbraw/zinc/02/89/80/1068028980.db2.gz GAKJBILCTXZSHF-ATIYNZHBSA-N 2 0 476.710 3.360 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCCC2)CCOC1 ZINC001303501932 1068030955 /nfs/dbraw/zinc/03/09/55/1068030955.db2.gz QJAWSHZFBCQJAB-VWLOTQADSA-N 2 0 462.683 3.115 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](C4CCC4)CC3)n2CC[NH+](C(C)C)C(C)C)CCOC1 ZINC001303504493 1068037216 /nfs/dbraw/zinc/03/72/16/1068037216.db2.gz WBGQUJFVWXQYAC-RUZDIDTESA-N 2 0 462.683 3.112 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025970 1068081627 /nfs/dbraw/zinc/08/16/27/1068081627.db2.gz VFKYGFWFVAPHRA-AKFKNWHVSA-N 2 0 454.663 3.378 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001305028408 1068085358 /nfs/dbraw/zinc/08/53/58/1068085358.db2.gz FZIXOEGPCCONOH-PMACEKPBSA-N 2 0 487.718 3.357 20 0 JGADRP CC1CC[NH+](CCn2c(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001305114814 1068193525 /nfs/dbraw/zinc/19/35/25/1068193525.db2.gz VHTWYCXYGHTNRC-HSZRJFAPSA-N 2 0 454.663 3.163 20 0 JGADRP C[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC001303715184 1068261809 /nfs/dbraw/zinc/26/18/09/1068261809.db2.gz BAEZXDJENPXMOW-IBGZPJMESA-N 2 0 475.682 3.017 20 0 JGADRP C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1)[NH+](C)C ZINC001303739355 1068299916 /nfs/dbraw/zinc/29/99/16/1068299916.db2.gz ZCMAIGUULLXHTF-LJQANCHMSA-N 2 0 477.053 3.009 20 0 JGADRP C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C ZINC001303739410 1068300410 /nfs/dbraw/zinc/30/04/10/1068300410.db2.gz RBPTWDQZKAIWGV-AQNXPRMDSA-N 2 0 477.698 3.310 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001303752431 1068313317 /nfs/dbraw/zinc/31/33/17/1068313317.db2.gz RNMCDVQJKQBWRE-VWNXMTODSA-N 2 0 454.663 3.379 20 0 JGADRP CCC1([NH+]2CCC2)CCN(C(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001303755171 1068318619 /nfs/dbraw/zinc/31/86/19/1068318619.db2.gz FHSURUISTIBXHQ-QFIPXVFZSA-N 2 0 458.647 3.489 20 0 JGADRP C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303756226 1068319623 /nfs/dbraw/zinc/31/96/23/1068319623.db2.gz RJGKEIZQWNTISX-IBGZPJMESA-N 2 0 476.069 3.272 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC001305221269 1068359262 /nfs/dbraw/zinc/35/92/62/1068359262.db2.gz IPZYYBDYNTUYJJ-XMMPIXPASA-N 2 0 468.690 3.485 20 0 JGADRP C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001303926366 1068584349 /nfs/dbraw/zinc/58/43/49/1068584349.db2.gz KNEJLARFQGNOIU-HXUWFJFHSA-N 2 0 488.652 3.325 20 0 JGADRP C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303932539 1068591625 /nfs/dbraw/zinc/59/16/25/1068591625.db2.gz VTNSEZIYIOJSQH-HSALFYBXSA-N 2 0 474.625 3.197 20 0 JGADRP CC[C@H](C)c1nnc(N(C)CC2CCOCC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001305390784 1068635699 /nfs/dbraw/zinc/63/56/99/1068635699.db2.gz FZJMDGRNRCZREU-NRFANRHFSA-N 2 0 455.651 3.262 20 0 JGADRP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305399819 1068641995 /nfs/dbraw/zinc/64/19/95/1068641995.db2.gz SWYLBNCFLWBHLJ-GJZUVCINSA-N 2 0 485.746 3.487 20 0 JGADRP CC[C@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305461010 1068704504 /nfs/dbraw/zinc/70/45/04/1068704504.db2.gz ZBYNIIMIQOOWQP-QHCPKHFHSA-N 2 0 489.753 3.022 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001305532127 1068788944 /nfs/dbraw/zinc/78/89/44/1068788944.db2.gz ZERQYDHLBFNJCR-NOZRDPDXSA-N 2 0 489.753 3.143 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305541659 1068812835 /nfs/dbraw/zinc/81/28/35/1068812835.db2.gz YUFXWUXQINNWMJ-DHIUTWEWSA-N 2 0 453.679 3.140 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305544313 1068820067 /nfs/dbraw/zinc/82/00/67/1068820067.db2.gz OHTURCIYSVVYHL-JOCHJYFZSA-N 2 0 454.663 3.472 20 0 JGADRP CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544831 1068821547 /nfs/dbraw/zinc/82/15/47/1068821547.db2.gz RTGYTMLYKLVWBH-DQEYMECFSA-N 2 0 489.753 3.145 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001305615350 1068892922 /nfs/dbraw/zinc/89/29/22/1068892922.db2.gz PSKPPXUWPIXJAV-FKBYEOEOSA-N 2 0 483.709 3.101 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001305619239 1068902793 /nfs/dbraw/zinc/90/27/93/1068902793.db2.gz FVIPTKPVAFSURT-ACRUOGEOSA-N 2 0 456.635 3.269 20 0 JGADRP CC[C@H](c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001305664139 1069005947 /nfs/dbraw/zinc/00/59/47/1069005947.db2.gz NZEZFPYWGOSNLE-QPPBQGQZSA-N 2 0 454.663 3.319 20 0 JGADRP CC[C@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678320 1069034458 /nfs/dbraw/zinc/03/44/58/1069034458.db2.gz RURYHNZSSKBSLZ-QPPBQGQZSA-N 2 0 454.663 3.197 20 0 JGADRP CC[C@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678321 1069034888 /nfs/dbraw/zinc/03/48/88/1069034888.db2.gz RURYHNZSSKBSLZ-URXFXBBRSA-N 2 0 454.663 3.197 20 0 JGADRP CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678322 1069035008 /nfs/dbraw/zinc/03/50/08/1069035008.db2.gz RURYHNZSSKBSLZ-XUZZJYLKSA-N 2 0 454.663 3.197 20 0 JGADRP CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001305704341 1069090507 /nfs/dbraw/zinc/09/05/07/1069090507.db2.gz FAJSHLUJPFPKPU-NFBKMPQASA-N 2 0 473.710 3.191 20 0 JGADRP CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001305718005 1069125391 /nfs/dbraw/zinc/12/53/91/1069125391.db2.gz XKTHBAIDZHQOPS-DHIUTWEWSA-N 2 0 456.683 3.181 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305769530 1069245120 /nfs/dbraw/zinc/24/51/20/1069245120.db2.gz HDTWQYDOBBCNGB-VXKWHMMOSA-N 2 0 459.683 3.136 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305785873 1069288094 /nfs/dbraw/zinc/28/80/94/1069288094.db2.gz QTXJPDMNBKBGDL-HXUWFJFHSA-N 2 0 473.710 3.382 20 0 JGADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164433109 718971563 /nfs/dbraw/zinc/97/15/63/718971563.db2.gz JVPKIZUDNXDLQJ-MOPGFXCFSA-N 2 0 494.892 3.178 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164626074 719047261 /nfs/dbraw/zinc/04/72/61/719047261.db2.gz QMKRHLJZACAUTG-OYYXRSNLSA-N 2 0 491.680 3.464 20 0 JGADRP C[NH+]1CCC(Oc2ccnc(N([C@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)c2)CC1 ZINC001164684777 719592698 /nfs/dbraw/zinc/59/26/98/719592698.db2.gz JWJBUAOLJPVWSI-QHCPKHFHSA-N 2 0 470.639 3.282 20 0 JGADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)c2ccccc21 ZINC001164680887 719674020 /nfs/dbraw/zinc/67/40/20/719674020.db2.gz IMXCTGVTZKFKTK-QFIPXVFZSA-N 2 0 477.653 3.012 20 0 JGADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)c2ccccc21 ZINC001164684119 719675415 /nfs/dbraw/zinc/67/54/15/719675415.db2.gz SFSFAIWUYSURSF-JOCHJYFZSA-N 3 0 490.696 3.103 20 0 JGADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)nc4c3CC[NH2+]C4)CC2)c2ccccc21 ZINC001164682139 719676087 /nfs/dbraw/zinc/67/60/87/719676087.db2.gz PFADPFYBGRZBSV-IBGZPJMESA-N 2 0 482.072 3.474 20 0 JGADRP CC(C)n1nc(CN(c2nccs2)c2cccc(N3CC[NH+](C)CC3)n2)c2c1C[NH2+]CC2 ZINC001164709582 720091847 /nfs/dbraw/zinc/09/18/47/720091847.db2.gz AZSGEOMUNDLARY-UHFFFAOYSA-N 2 0 452.632 3.051 20 0 JGADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCC2 ZINC001164817662 720248724 /nfs/dbraw/zinc/24/87/24/720248724.db2.gz SAWGTZQYHGUMIF-UHFFFAOYSA-N 2 0 493.002 3.464 20 0 JGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164780665 721361579 /nfs/dbraw/zinc/36/15/79/721361579.db2.gz GHPPQYPMJXTTLO-AREMUKBSSA-N 2 0 469.630 3.280 20 0 JGADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164791249 721473340 /nfs/dbraw/zinc/47/33/40/721473340.db2.gz VZQNFNSSHNMJDN-DEOSSOPVSA-N 2 0 472.674 3.194 20 0 JGADRP C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009146 721691746 /nfs/dbraw/zinc/69/17/46/721691746.db2.gz NNXRIRMPUOSJCK-GVCORALISA-N 2 0 465.598 3.352 20 0 JGADRP C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009143 721691884 /nfs/dbraw/zinc/69/18/84/721691884.db2.gz NNXRIRMPUOSJCK-FRPAHBMMSA-N 2 0 465.598 3.352 20 0 JGADRP c1nc(CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c2ncccn2)c2n1CCC[NH2+]C2 ZINC001165016017 721766726 /nfs/dbraw/zinc/76/67/26/721766726.db2.gz VIQKMURJIYSXQA-UHFFFAOYSA-N 2 0 466.593 3.458 20 0 JGADRP C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCC2 ZINC001165003730 722258110 /nfs/dbraw/zinc/25/81/10/722258110.db2.gz GURYCCPQAMUAMM-UHFFFAOYSA-N 2 0 480.991 3.342 20 0 JGADRP CCc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC001305921660 1069477384 /nfs/dbraw/zinc/47/73/84/1069477384.db2.gz ZLDWHMHXERLDKO-DEOSSOPVSA-N 2 0 481.689 3.044 20 0 JGADRP C[N@H+](CCCn1c(N2CC[NH+](C[C@H]3CCOC3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298678442 1064467261 /nfs/dbraw/zinc/46/72/61/1064467261.db2.gz BITQPVBEDFFRHK-HSZRJFAPSA-N 2 0 454.663 3.256 20 0 JGADRP C[N@@H+]1CC[C@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001298879941 1064685830 /nfs/dbraw/zinc/68/58/30/1064685830.db2.gz SMSNZDIEUWFZPG-XMMPIXPASA-N 2 0 479.044 3.362 20 0 JGADRP C[N@@H+]1CCN(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001298898385 1064704436 /nfs/dbraw/zinc/70/44/36/1064704436.db2.gz UNUWAHXDNIBQLV-UHFFFAOYSA-N 2 0 488.124 3.469 20 0 JGADRP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2C[C@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299844663 1065043954 /nfs/dbraw/zinc/04/39/54/1065043954.db2.gz UYCJHUSEKUPMLF-ZJOUEHCJSA-N 2 0 456.635 3.364 20 0 JGADRP COc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001299988643 1065292040 /nfs/dbraw/zinc/29/20/40/1065292040.db2.gz SNTNGZXROAEBNQ-QHCPKHFHSA-N 2 0 497.688 3.183 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1C ZINC001492266505 1065362254 /nfs/dbraw/zinc/36/22/54/1065362254.db2.gz NITDZXKJIWRYAJ-HSZRJFAPSA-N 2 0 467.662 3.265 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001492384643 1065451313 /nfs/dbraw/zinc/45/13/13/1065451313.db2.gz JEKATGQYQWFJFD-UHFFFAOYSA-N 2 0 497.732 3.278 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302083411 1066504514 /nfs/dbraw/zinc/50/45/14/1066504514.db2.gz ZVFUUCBNOJTTTC-FQEVSTJZSA-N 2 0 458.651 3.033 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[NH+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001301708301 1066600594 /nfs/dbraw/zinc/60/05/94/1066600594.db2.gz KYVKKOJVWUEOCD-PIATZUFCSA-N 2 0 487.737 3.075 20 0 JGADRP COCC[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001301735555 1066657397 /nfs/dbraw/zinc/65/73/97/1066657397.db2.gz CTYGKRAONWIVFO-HKUYNNGSSA-N 2 0 497.471 3.415 20 0 JGADRP COCC[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301737366 1066659580 /nfs/dbraw/zinc/65/95/80/1066659580.db2.gz XAOFDAOMGPAUMJ-UHFFFAOYSA-N 2 0 472.678 3.363 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001302283181 1066852808 /nfs/dbraw/zinc/85/28/08/1066852808.db2.gz BNROHGHWRURLKP-VXKWHMMOSA-N 2 0 462.683 3.043 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302286596 1066858660 /nfs/dbraw/zinc/85/86/60/1066858660.db2.gz JYPBRUCLNXTZGP-ZTCOLXNVSA-N 2 0 488.652 3.411 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302286595 1066858690 /nfs/dbraw/zinc/85/86/90/1066858690.db2.gz JYPBRUCLNXTZGP-OYDLWJJNSA-N 2 0 488.652 3.411 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001301877739 1066880254 /nfs/dbraw/zinc/88/02/54/1066880254.db2.gz RDALBZQYWLHCOC-UXHICEINSA-N 2 0 474.625 3.198 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001302304679 1066892021 /nfs/dbraw/zinc/89/20/21/1066892021.db2.gz ZGUYWNLKYSTPOO-LWSSLDFYSA-N 2 0 476.710 3.291 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301888788 1066904860 /nfs/dbraw/zinc/90/48/60/1066904860.db2.gz PITCBGNWZGEOTQ-PMACEKPBSA-N 2 0 461.054 3.487 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@@H]1C ZINC001301900106 1066924857 /nfs/dbraw/zinc/92/48/57/1066924857.db2.gz XBDMIUOTFOXQMM-PGRDOPGGSA-N 2 0 472.037 3.386 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@H]1C ZINC001301909987 1066934048 /nfs/dbraw/zinc/93/40/48/1066934048.db2.gz AYXIIOZNIPVQBE-VWNXMTODSA-N 2 0 476.710 3.435 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301922728 1066956474 /nfs/dbraw/zinc/95/64/74/1066956474.db2.gz YNSQDERUFIUWAT-XWGVYQGASA-N 2 0 468.690 3.455 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001301928039 1066964991 /nfs/dbraw/zinc/96/49/91/1066964991.db2.gz RQIKDCKODPJZIZ-BJKOFHAPSA-N 2 0 484.689 3.443 20 0 JGADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)C[C@H]1C[NH+](C)C ZINC001302403870 1066984894 /nfs/dbraw/zinc/98/48/94/1066984894.db2.gz SXYBRJBEILYFDN-NHCUHLMSSA-N 2 0 451.546 3.354 20 0 JGADRP Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCOCC[NH+](C)C)c1C ZINC001304019793 1067063770 /nfs/dbraw/zinc/06/37/70/1067063770.db2.gz KSTIRBGYEOUZIY-YMPZKCBVSA-N 2 0 470.662 3.286 20 0 JGADRP CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302571374 1067211265 /nfs/dbraw/zinc/21/12/65/1067211265.db2.gz OOFQIBBLDZXCBP-VWLOTQADSA-N 2 0 467.706 3.386 20 0 JGADRP Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304179198 1067228928 /nfs/dbraw/zinc/22/89/28/1067228928.db2.gz SVTFRTPHPLNJKX-XMMPIXPASA-N 2 0 484.689 3.363 20 0 JGADRP Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001304181223 1067229782 /nfs/dbraw/zinc/22/97/82/1067229782.db2.gz AHILVTARVMIECJ-UHFFFAOYSA-N 2 0 498.716 3.487 20 0 JGADRP CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302615095 1067248996 /nfs/dbraw/zinc/24/89/96/1067248996.db2.gz UBPYDSIRLKKTRX-HSZRJFAPSA-N 2 0 487.737 3.340 20 0 JGADRP CSC1(Cn2c(Cc3ccncc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC[NH+](C)CC1 ZINC001302622996 1067252837 /nfs/dbraw/zinc/25/28/37/1067252837.db2.gz QSVABTPRQVISQR-UHFFFAOYSA-N 2 0 457.692 3.058 20 0 JGADRP CSC1(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001302623121 1067253248 /nfs/dbraw/zinc/25/32/48/1067253248.db2.gz VVZXLVJNVPQAGJ-UHFFFAOYSA-N 2 0 457.692 3.012 20 0 JGADRP CC(C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302627693 1067257852 /nfs/dbraw/zinc/25/78/52/1067257852.db2.gz FOFDWGNDYRXFRN-ROKPMTFOSA-N 2 0 464.724 3.164 20 0 JGADRP Cc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)[NH+](C)C)cc1 ZINC001304271469 1067306832 /nfs/dbraw/zinc/30/68/32/1067306832.db2.gz CJJYSSDXWFUYME-QHCPKHFHSA-N 2 0 450.635 3.210 20 0 JGADRP Cc1ccc(-c2nnc(N(C)C3CC[NH+](CCn4cccn4)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304299445 1067349023 /nfs/dbraw/zinc/34/90/23/1067349023.db2.gz ZVJRIFAMSSSFLF-UHFFFAOYSA-N 2 0 468.650 3.232 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001304376529 1067418096 /nfs/dbraw/zinc/41/80/96/1067418096.db2.gz ZMSQEVGZAUUOQR-REWPJTCUSA-N 2 0 497.688 3.036 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[NH+]2CCCCC2)cc1C ZINC001304384821 1067436226 /nfs/dbraw/zinc/43/62/26/1067436226.db2.gz SUGBDPGSOOWBAZ-UHFFFAOYSA-N 2 0 467.662 3.411 20 0 JGADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302866786 1067447794 /nfs/dbraw/zinc/44/77/94/1067447794.db2.gz RAUIUSKYEJFTGQ-HXUWFJFHSA-N 2 0 454.663 3.375 20 0 JGADRP C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@@]3([NH+](C)C)CCSC3)CC2)C[C@H](C)O1 ZINC001302901513 1067485331 /nfs/dbraw/zinc/48/53/31/1067485331.db2.gz KVNGVZUTZZWRRT-DFIYOIEZSA-N 2 0 478.751 3.339 20 0 JGADRP CC(C)Cc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302938863 1067512468 /nfs/dbraw/zinc/51/24/68/1067512468.db2.gz UGNKALBRWPVPBR-HSZRJFAPSA-N 2 0 470.710 3.290 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302961107 1067532300 /nfs/dbraw/zinc/53/23/00/1067532300.db2.gz INCPEWIALRHVRB-ISKFKSNPSA-N 2 0 454.663 3.034 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304561874 1067632272 /nfs/dbraw/zinc/63/22/72/1067632272.db2.gz RCFAIJXHLDVCEP-ZCYQVOJMSA-N 2 0 468.690 3.312 20 0 JGADRP Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304569782 1067637408 /nfs/dbraw/zinc/63/74/08/1067637408.db2.gz BVAOZQGFNKVTNV-HSZRJFAPSA-N 2 0 454.663 3.391 20 0 JGADRP Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001304571031 1067639022 /nfs/dbraw/zinc/63/90/22/1067639022.db2.gz VJHFRFCXMJRDSL-UHFFFAOYSA-N 2 0 481.689 3.311 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001303178629 1067711985 /nfs/dbraw/zinc/71/19/85/1067711985.db2.gz RBTVXFFGVFNZPU-UHFFFAOYSA-N 2 0 481.689 3.181 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001303182086 1067714306 /nfs/dbraw/zinc/71/43/06/1067714306.db2.gz FFWCXQQAIIJCGH-DEOSSOPVSA-N 2 0 454.663 3.471 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303189299 1067723515 /nfs/dbraw/zinc/72/35/15/1067723515.db2.gz QWHALVQSBRZFLO-UHFFFAOYSA-N 2 0 451.594 3.389 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303196942 1067731506 /nfs/dbraw/zinc/73/15/06/1067731506.db2.gz QKZYBHNPUNMYJH-DEOSSOPVSA-N 2 0 465.621 3.484 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001303200609 1067736469 /nfs/dbraw/zinc/73/64/69/1067736469.db2.gz CWNVSCIFDRTGQY-DNQXCXABSA-N 2 0 454.663 3.469 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001303200611 1067736551 /nfs/dbraw/zinc/73/65/51/1067736551.db2.gz CWNVSCIFDRTGQY-RPWUZVMVSA-N 2 0 454.663 3.469 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001303201445 1067737143 /nfs/dbraw/zinc/73/71/43/1067737143.db2.gz LCNZXWGGQMLBSI-DEOSSOPVSA-N 2 0 476.710 3.087 20 0 JGADRP CC(C)[NH+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)C(C)C ZINC001303255228 1067781240 /nfs/dbraw/zinc/78/12/40/1067781240.db2.gz ZVYSLKJXEAGDPG-UHFFFAOYSA-N 2 0 461.699 3.190 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001303259002 1067785349 /nfs/dbraw/zinc/78/53/49/1067785349.db2.gz QAONOXQJCHPZHM-UHFFFAOYSA-N 2 0 474.719 3.334 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303258701 1067785375 /nfs/dbraw/zinc/78/53/75/1067785375.db2.gz OCLVDMYOCPKSJG-GOTSBHOMSA-N 2 0 467.662 3.089 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001303263590 1067790685 /nfs/dbraw/zinc/79/06/85/1067790685.db2.gz PWLMOVZXEAXSFT-DHIUTWEWSA-N 2 0 468.694 3.065 20 0 JGADRP CC(C)[N@H+](C)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303264191 1067791673 /nfs/dbraw/zinc/79/16/73/1067791673.db2.gz BKOAGWOHJWOFBE-QFIPXVFZSA-N 2 0 456.635 3.441 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001303264594 1067791923 /nfs/dbraw/zinc/79/19/23/1067791923.db2.gz LVRHEZDHCZMOLC-HSZRJFAPSA-N 2 0 450.635 3.120 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001303268770 1067796834 /nfs/dbraw/zinc/79/68/34/1067796834.db2.gz MJGJZAZRTQCMAD-AEFFLSMTSA-N 2 0 464.456 3.059 20 0 JGADRP CC(C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303277990 1067805880 /nfs/dbraw/zinc/80/58/80/1067805880.db2.gz XSLNMOQCWJOVJJ-QFIPXVFZSA-N 2 0 475.081 3.411 20 0 JGADRP CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001303291937 1067817111 /nfs/dbraw/zinc/81/71/11/1067817111.db2.gz ZRUCTEKMIQVUEJ-UHFFFAOYSA-N 2 0 479.677 3.295 20 0 JGADRP CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC001303291895 1067817159 /nfs/dbraw/zinc/81/71/59/1067817159.db2.gz YYLJNBDVBVXANN-QFIPXVFZSA-N 2 0 459.683 3.088 20 0 JGADRP CC(C)[NH+](CCn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCOCC2)CC1)C(C)C ZINC001303296234 1067820132 /nfs/dbraw/zinc/82/01/32/1067820132.db2.gz COSGDJVRCXQJGA-UHFFFAOYSA-N 2 0 460.692 3.350 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001304754025 1067835654 /nfs/dbraw/zinc/83/56/54/1067835654.db2.gz IVIOSJUMVZHEOE-XMMPIXPASA-N 2 0 464.662 3.409 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[NH+]2CCC[C@H]2CO)CC1 ZINC001303310417 1067838397 /nfs/dbraw/zinc/83/83/97/1067838397.db2.gz IEWSFJHEQRVZNG-RBZQAINGSA-N 2 0 490.737 3.354 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001303310718 1067838878 /nfs/dbraw/zinc/83/88/78/1067838878.db2.gz JPDSLPZSNOQTTK-FGZHOGPDSA-N 2 0 476.710 3.228 20 0 JGADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303317306 1067845873 /nfs/dbraw/zinc/84/58/73/1067845873.db2.gz UERVLYLKHNQQLO-NRFANRHFSA-N 2 0 489.112 3.186 20 0 JGADRP Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001304795957 1067883939 /nfs/dbraw/zinc/88/39/39/1067883939.db2.gz NPYMVKPXYQNHTN-UHFFFAOYSA-N 2 0 480.564 3.306 20 0 JGADRP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304858619 1067908373 /nfs/dbraw/zinc/90/83/73/1067908373.db2.gz CUMHYZXRTWPCDZ-FQEVSTJZSA-N 2 0 460.589 3.046 20 0 JGADRP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304858552 1067908386 /nfs/dbraw/zinc/90/83/86/1067908386.db2.gz AXLCZEKPPCJPEF-OALUTQOASA-N 2 0 474.616 3.434 20 0 JGADRP Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001304858817 1067908892 /nfs/dbraw/zinc/90/88/92/1067908892.db2.gz AUOAYMRZVRHSPH-REHUZNOOSA-N 2 0 457.642 3.023 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001303402725 1067931184 /nfs/dbraw/zinc/93/11/84/1067931184.db2.gz MLHYZHZQTLGKRG-PZJWPPBQSA-N 2 0 487.718 3.481 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001303405291 1067933833 /nfs/dbraw/zinc/93/38/33/1067933833.db2.gz OPYUFAMFNIWHTF-JOCHJYFZSA-N 2 0 481.689 3.392 20 0 JGADRP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001304926926 1067971757 /nfs/dbraw/zinc/97/17/57/1067971757.db2.gz UUDLXFIGCQVWBY-DSNGMDLFSA-N 2 0 489.753 3.001 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001303463696 1067983115 /nfs/dbraw/zinc/98/31/15/1067983115.db2.gz WVYXHRQAEHIMCJ-NRFANRHFSA-N 2 0 490.656 3.413 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001303467779 1067986596 /nfs/dbraw/zinc/98/65/96/1067986596.db2.gz IJKKVZLAYZIMSF-QHCPKHFHSA-N 2 0 479.094 3.257 20 0 JGADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001304965180 1068007126 /nfs/dbraw/zinc/00/71/26/1068007126.db2.gz IMFCLLPAFUPERZ-DHIUTWEWSA-N 2 0 459.727 3.347 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304980174 1068019107 /nfs/dbraw/zinc/01/91/07/1068019107.db2.gz GPZMLCRJAIZZOX-VNXZQDSDSA-N 2 0 473.710 3.045 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304981968 1068022789 /nfs/dbraw/zinc/02/27/89/1068022789.db2.gz CJTDEQIXKMWOTQ-FIPFOOKPSA-N 2 0 495.716 3.292 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001303500512 1068027738 /nfs/dbraw/zinc/02/77/38/1068027738.db2.gz ICSRZZSONAYVPE-RUZDIDTESA-N 2 0 462.683 3.115 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303504027 1068036340 /nfs/dbraw/zinc/03/63/40/1068036340.db2.gz UCIRKNBCVAUQJX-HOFKKMOUSA-N 2 0 484.689 3.370 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](Cc4ccccc4)C[C@H]3C)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001303505470 1068039285 /nfs/dbraw/zinc/03/92/85/1068039285.db2.gz KUKKVCFUJKZZTH-YIXXDRMTSA-N 2 0 484.689 3.370 20 0 JGADRP C[C@@H]1CCCC[N@@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305019708 1068066176 /nfs/dbraw/zinc/06/61/76/1068066176.db2.gz RGOQQKXWOZJZBI-FGZHOGPDSA-N 2 0 494.750 3.145 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025973 1068081501 /nfs/dbraw/zinc/08/15/01/1068081501.db2.gz VFKYGFWFVAPHRA-AOHZBQACSA-N 2 0 454.663 3.378 20 0 JGADRP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC001305026932 1068082996 /nfs/dbraw/zinc/08/29/96/1068082996.db2.gz SCWSMLGNLCMERM-YADHBBJMSA-N 2 0 470.710 3.433 20 0 JGADRP C[C@H]1CCC[N@H+](CCn2c(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050146 1068111922 /nfs/dbraw/zinc/11/19/22/1068111922.db2.gz SNCJQAOKVFMHNI-JTHBVZDNSA-N 2 0 454.663 3.163 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305063989 1068134587 /nfs/dbraw/zinc/13/45/87/1068134587.db2.gz JTCXQZHLMPTIPS-GOTSBHOMSA-N 2 0 481.689 3.247 20 0 JGADRP C[C@@H]1C[NH+](C(C)(C)Cn2c(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305114521 1068192428 /nfs/dbraw/zinc/19/24/28/1068192428.db2.gz ZHTZDBVBAJLCTO-NJDAHSKKSA-N 2 0 476.710 3.153 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001305134322 1068221664 /nfs/dbraw/zinc/22/16/64/1068221664.db2.gz DXHDEHKDHFJWLC-QFQXNSOFSA-N 2 0 476.710 3.217 20 0 JGADRP C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1)[NH+](C)C ZINC001303689345 1068228935 /nfs/dbraw/zinc/22/89/35/1068228935.db2.gz SCCGGEIQVWHJNY-IBGZPJMESA-N 2 0 488.080 3.266 20 0 JGADRP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[N@H+](C)C1CC1 ZINC001303726451 1068278849 /nfs/dbraw/zinc/27/88/49/1068278849.db2.gz DLPSHEWPDIIYRT-YPAWHYETSA-N 2 0 459.727 3.344 20 0 JGADRP C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1ccsc1)[NH+](C)C ZINC001303734889 1068291384 /nfs/dbraw/zinc/29/13/84/1068291384.db2.gz QOKDNHVNMCULFZ-OAQYLSRUSA-N 2 0 467.687 3.291 20 0 JGADRP C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1)[NH+](C)C ZINC001303739354 1068300007 /nfs/dbraw/zinc/30/00/07/1068300007.db2.gz ZCMAIGUULLXHTF-IBGZPJMESA-N 2 0 477.053 3.009 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001303752517 1068313829 /nfs/dbraw/zinc/31/38/29/1068313829.db2.gz HUPYLHMGFHHDEC-NVQXNPDNSA-N 2 0 476.710 3.408 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001303754220 1068316792 /nfs/dbraw/zinc/31/67/92/1068316792.db2.gz GTZKNARZDCVLGA-GOSISDBHSA-N 2 0 465.017 3.236 20 0 JGADRP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001303755169 1068318735 /nfs/dbraw/zinc/31/87/35/1068318735.db2.gz FHSURUISTIBXHQ-JOCHJYFZSA-N 2 0 458.647 3.489 20 0 JGADRP C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001303895887 1068534480 /nfs/dbraw/zinc/53/44/80/1068534480.db2.gz TZYKYLWSONMSQK-VQTJNVASSA-N 2 0 474.625 3.056 20 0 JGADRP CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CC[NH+](CC)C1 ZINC001305403579 1068644273 /nfs/dbraw/zinc/64/42/73/1068644273.db2.gz MCNUIXKEJCIHCW-BESBDSHLSA-N 2 0 456.683 3.386 20 0 JGADRP CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001305413950 1068652576 /nfs/dbraw/zinc/65/25/76/1068652576.db2.gz ZNGBADAQVOBCPA-LCXINAFSSA-N 2 0 487.737 3.293 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001305444155 1068679083 /nfs/dbraw/zinc/67/90/83/1068679083.db2.gz MKYCYGIGFCLPKD-VSKRKVRLSA-N 2 0 476.710 3.228 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455603 1068694544 /nfs/dbraw/zinc/69/45/44/1068694544.db2.gz CTWFPUIWUKZUAA-ISKFKSNPSA-N 2 0 453.679 3.140 20 0 JGADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001305512606 1068755402 /nfs/dbraw/zinc/75/54/02/1068755402.db2.gz GFBBMWIWSIOXEN-WPFOTENUSA-N 2 0 481.689 3.055 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305539247 1068806691 /nfs/dbraw/zinc/80/66/91/1068806691.db2.gz DFCSPQBYPJDYTG-URXFXBBRSA-N 2 0 454.663 3.269 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544258 1068819671 /nfs/dbraw/zinc/81/96/71/1068819671.db2.gz GMQUANTYWLMGES-FGZHOGPDSA-N 2 0 476.710 3.372 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544443 1068820736 /nfs/dbraw/zinc/82/07/36/1068820736.db2.gz HZMGURYNKADKCB-QPPBQGQZSA-N 2 0 468.690 3.438 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544834 1068822385 /nfs/dbraw/zinc/82/23/85/1068822385.db2.gz RTGYTMLYKLVWBH-RPBOFIJWSA-N 2 0 489.753 3.145 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001305602164 1068864963 /nfs/dbraw/zinc/86/49/63/1068864963.db2.gz APLHQJYLJYPWNX-RTWAWAEBSA-N 2 0 455.651 3.408 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001305603146 1068866208 /nfs/dbraw/zinc/86/62/08/1068866208.db2.gz IHWQNFVAIUCDSJ-FQEVSTJZSA-N 2 0 468.650 3.110 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001305609450 1068881619 /nfs/dbraw/zinc/88/16/19/1068881619.db2.gz DHMSLXKVSQMDOK-LEWJYISDSA-N 2 0 467.662 3.324 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001305613954 1068890638 /nfs/dbraw/zinc/89/06/38/1068890638.db2.gz YFRMCKWMNSHOAZ-FQEVSTJZSA-N 2 0 453.660 3.497 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305615258 1068892807 /nfs/dbraw/zinc/89/28/07/1068892807.db2.gz UKXRMJKTRNTFSR-SFHVURJKSA-N 2 0 459.639 3.047 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305615561 1068893619 /nfs/dbraw/zinc/89/36/19/1068893619.db2.gz QCCZFPGDHWPQTJ-OAQYLSRUSA-N 2 0 483.709 3.103 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001305621592 1068908224 /nfs/dbraw/zinc/90/82/24/1068908224.db2.gz MSBZNFZPCGUFCG-UEQSERJNSA-N 2 0 489.753 3.143 20 0 JGADRP CCC(CC)[C@H](Cn1c(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001305714494 1069117627 /nfs/dbraw/zinc/11/76/27/1069117627.db2.gz JFNWUDLJAPSTKF-NANGSVCXSA-N 2 0 476.710 3.358 20 0 JGADRP CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305715628 1069121151 /nfs/dbraw/zinc/12/11/51/1069121151.db2.gz NGGKDAQJIZIHKH-PMVMPFDFSA-N 2 0 462.683 3.187 20 0 JGADRP CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001305718008 1069125357 /nfs/dbraw/zinc/12/53/57/1069125357.db2.gz XKTHBAIDZHQOPS-PKTZIBPZSA-N 2 0 456.683 3.181 20 0 JGADRP CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001305718009 1069125502 /nfs/dbraw/zinc/12/55/02/1069125502.db2.gz XKTHBAIDZHQOPS-XZOQPEGZSA-N 2 0 456.683 3.181 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCC[NH+]1CCCC1 ZINC001305756679 1069211126 /nfs/dbraw/zinc/21/11/26/1069211126.db2.gz IYDDSWSBRUQUQZ-UHFFFAOYSA-N 2 0 459.683 3.137 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001305776897 1069261438 /nfs/dbraw/zinc/26/14/38/1069261438.db2.gz RQBSRJRIQIMJSS-OAQYLSRUSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305786144 1069289087 /nfs/dbraw/zinc/28/90/87/1069289087.db2.gz RCSBTMNBYTZLMU-SIKLNZKXSA-N 2 0 455.651 3.030 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164417985 718892501 /nfs/dbraw/zinc/89/25/01/718892501.db2.gz MJVHEYIMVOPXBD-CVDCTZTESA-N 2 0 457.663 3.239 20 0 JGADRP C[NH+]1CCC(Oc2ccnc(N([C@@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)c2)CC1 ZINC001164684773 719592510 /nfs/dbraw/zinc/59/25/10/719592510.db2.gz JWJBUAOLJPVWSI-HSZRJFAPSA-N 2 0 470.639 3.282 20 0 JGADRP CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)c2c1CC[NH2+]C2 ZINC001164681361 719653102 /nfs/dbraw/zinc/65/31/02/719653102.db2.gz MJDASDPLDFRZNI-UHFFFAOYSA-N 2 0 450.965 3.392 20 0 JGADRP CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680321 719654994 /nfs/dbraw/zinc/65/49/94/719654994.db2.gz FJDRFOIHNNSSRE-NRFANRHFSA-N 2 0 464.658 3.335 20 0 JGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715626 720203928 /nfs/dbraw/zinc/20/39/28/720203928.db2.gz LHUZJZIRHBCQSH-VWNXMTODSA-N 2 0 467.662 3.363 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1C[NH+]1CC[C@H](CO)C1 ZINC001164729289 720416513 /nfs/dbraw/zinc/41/65/13/720416513.db2.gz GQPCXUIEVLGNNV-GPUOULLFSA-N 2 0 492.668 3.129 20 0 JGADRP CCc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164843850 720701067 /nfs/dbraw/zinc/70/10/67/720701067.db2.gz RJVSDTZNDDEYPM-HSZRJFAPSA-N 2 0 451.615 3.136 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)C[C@@H](NC(=O)c3ccccc3)CCO4)c2)CC1 ZINC001164863688 720901887 /nfs/dbraw/zinc/90/18/87/720901887.db2.gz YRVJCAGULGTQIX-HFZDXXHNSA-N 2 0 450.583 3.113 20 0 JGADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164746455 720926738 /nfs/dbraw/zinc/92/67/38/720926738.db2.gz AFLBPZNSNRSUMW-NAKRPHOHSA-N 2 0 492.668 3.005 20 0 JGADRP CCn1nnc2c1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)[C@H]2COCc1ccccc1 ZINC001164774931 721049448 /nfs/dbraw/zinc/04/94/48/721049448.db2.gz ZISHTOFDQXXZNU-DEOSSOPVSA-N 2 0 462.598 3.487 20 0 JGADRP CC(C)N(c1ccc(C[NH+]2CCCC2)cn1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001165000825 722220537 /nfs/dbraw/zinc/22/05/37/722220537.db2.gz ZTVMYAPUWFAHMV-UHFFFAOYSA-N 2 0 462.642 3.447 20 0 JGADRP CN(CCC1CCOCC1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001298646744 1064419729 /nfs/dbraw/zinc/41/97/29/1064419729.db2.gz KJHIQAPXMFDRFC-UHFFFAOYSA-N 2 0 469.678 3.436 20 0 JGADRP C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001298889744 1064699434 /nfs/dbraw/zinc/69/94/34/1064699434.db2.gz WDLOZORWFIZDQM-HXUWFJFHSA-N 2 0 487.718 3.311 20 0 JGADRP COc1cc(-c2nnc(N3C[C@H]4CCC[NH+]4C[C@H]3C)n2CCC[N@H+](C)C(C)C)cc(OC)c1OC ZINC001299842624 1065039398 /nfs/dbraw/zinc/03/93/98/1065039398.db2.gz AWPQTFNIFRICTL-TZIWHRDSSA-N 2 0 486.661 3.374 20 0 JGADRP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2C[C@@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299844659 1065043894 /nfs/dbraw/zinc/04/38/94/1065043894.db2.gz UYCJHUSEKUPMLF-DYXWJJEUSA-N 2 0 456.635 3.364 20 0 JGADRP COc1cc(OC)cc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@H+]2CC=CCC2)c1 ZINC001299946476 1065220724 /nfs/dbraw/zinc/22/07/24/1065220724.db2.gz FKLHQFFVTDCTHU-UHFFFAOYSA-N 2 0 454.619 3.145 20 0 JGADRP Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCOCC[NH+](C)C)cc1 ZINC001492454712 1065505636 /nfs/dbraw/zinc/50/56/36/1065505636.db2.gz ZAKKDWQVANNCKQ-NHCUHLMSSA-N 2 0 458.676 3.130 20 0 JGADRP CC(C)(C)c1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302079142 1066493295 /nfs/dbraw/zinc/49/32/95/1066493295.db2.gz HZXWXYGMMXNGMB-HSZRJFAPSA-N 2 0 472.653 3.274 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001302080960 1066498788 /nfs/dbraw/zinc/49/87/88/1066498788.db2.gz RANPALWKIKFYMG-NRFANRHFSA-N 2 0 484.689 3.022 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302092752 1066520514 /nfs/dbraw/zinc/52/05/14/1066520514.db2.gz JRZULZQUGQIGDG-YADHBBJMSA-N 2 0 462.683 3.187 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302092748 1066520835 /nfs/dbraw/zinc/52/08/35/1066520835.db2.gz JRZULZQUGQIGDG-FGZHOGPDSA-N 2 0 462.683 3.187 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301706970 1066596993 /nfs/dbraw/zinc/59/69/93/1066596993.db2.gz AAUVPHPPWYSVPM-WIOPSUGQSA-N 2 0 473.710 3.012 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301709047 1066602121 /nfs/dbraw/zinc/60/21/21/1066602121.db2.gz RUKPQQUVXLEWDI-UKILVPOCSA-N 2 0 487.737 3.122 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001301726087 1066642409 /nfs/dbraw/zinc/64/24/09/1066642409.db2.gz OIPCFNKJOFGWGS-QGZVFWFLSA-N 2 0 497.507 3.412 20 0 JGADRP COCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001301740422 1066662202 /nfs/dbraw/zinc/66/22/02/1066662202.db2.gz KDVCWINMVOJDFO-JWQCQUIFSA-N 2 0 498.716 3.406 20 0 JGADRP CC(C)(C)CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001302191734 1066674824 /nfs/dbraw/zinc/67/48/24/1066674824.db2.gz AAELPTONRZRZRT-UHFFFAOYSA-N 2 0 482.717 3.468 20 0 JGADRP CC(C)(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001302202939 1066698642 /nfs/dbraw/zinc/69/86/42/1066698642.db2.gz LNLINDKDBZEZEV-DEOSSOPVSA-N 2 0 468.690 3.221 20 0 JGADRP C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001302226729 1066739786 /nfs/dbraw/zinc/73/97/86/1066739786.db2.gz LAIGQRMROYOTDY-JOCHJYFZSA-N 2 0 458.647 3.346 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001301874373 1066874967 /nfs/dbraw/zinc/87/49/67/1066874967.db2.gz HULPRYDOIHLMCL-QPPBQGQZSA-N 2 0 470.662 3.404 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301878207 1066880897 /nfs/dbraw/zinc/88/08/97/1066880897.db2.gz ULCFCRGXLJGVKG-GMAHTHKFSA-N 2 0 470.662 3.288 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001302304680 1066892069 /nfs/dbraw/zinc/89/20/69/1066892069.db2.gz ZGUYWNLKYSTPOO-ZJZGAYNASA-N 2 0 476.710 3.291 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001301886102 1066896075 /nfs/dbraw/zinc/89/60/75/1066896075.db2.gz RMPHSMOGSJJYNG-FGZHOGPDSA-N 2 0 470.662 3.375 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001301888528 1066904454 /nfs/dbraw/zinc/90/44/54/1066904454.db2.gz RIWVKIUNYJJCLV-SFHVURJKSA-N 2 0 465.017 3.380 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001301888782 1066904954 /nfs/dbraw/zinc/90/49/54/1066904954.db2.gz PHIGIMWNLZFYPZ-NFBKMPQASA-N 2 0 491.080 3.112 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001301890921 1066910703 /nfs/dbraw/zinc/91/07/03/1066910703.db2.gz MNKHIZGORUMTKC-JOCHJYFZSA-N 2 0 470.662 3.233 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001301893058 1066914329 /nfs/dbraw/zinc/91/43/29/1066914329.db2.gz ZVTCPYMBDBOWMK-TZIWHRDSSA-N 2 0 454.644 3.466 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001301896046 1066918001 /nfs/dbraw/zinc/91/80/01/1066918001.db2.gz DFWCKIYJULLVOZ-RTWAWAEBSA-N 2 0 491.080 3.112 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1C ZINC001301900107 1066924799 /nfs/dbraw/zinc/92/47/99/1066924799.db2.gz XBDMIUOTFOXQMM-XMSQKQJNSA-N 2 0 472.037 3.386 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001301913945 1066943271 /nfs/dbraw/zinc/94/32/71/1066943271.db2.gz NSSGMOBLIZUPSR-ODAXIHTASA-N 2 0 476.710 3.433 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301927575 1066963299 /nfs/dbraw/zinc/96/32/99/1066963299.db2.gz JRMDIYGHJIPHQE-XZOQPEGZSA-N 2 0 470.662 3.054 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301928903 1066965689 /nfs/dbraw/zinc/96/56/89/1066965689.db2.gz YDJKPHBRWWMKRX-ISKFKSNPSA-N 2 0 484.689 3.443 20 0 JGADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C[C@H]1C[NH+](C)C ZINC001302403348 1066984128 /nfs/dbraw/zinc/98/41/28/1066984128.db2.gz ITVOXQMTCVBPJD-RTBURBONSA-N 2 0 472.427 3.492 20 0 JGADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001303959329 1067013864 /nfs/dbraw/zinc/01/38/64/1067013864.db2.gz KOWMPMFONMTOAS-UHFFFAOYSA-N 2 0 482.677 3.358 20 0 JGADRP Cc1cccc(O[C@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030156 1067078228 /nfs/dbraw/zinc/07/82/28/1067078228.db2.gz NLFXJBRDTSSMTA-PKTZIBPZSA-N 2 0 470.662 3.288 20 0 JGADRP CC(C)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302569893 1067209272 /nfs/dbraw/zinc/20/92/72/1067209272.db2.gz KBGAEBGNSFTJSR-QHCPKHFHSA-N 2 0 454.663 3.349 20 0 JGADRP CSC1(Cn2c(Cc3csc(C)n3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC[NH+](C)CC1 ZINC001302622655 1067252738 /nfs/dbraw/zinc/25/27/38/1067252738.db2.gz NEAOWHKZRZAOKW-UHFFFAOYSA-N 2 0 477.748 3.382 20 0 JGADRP CC(C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302626986 1067257293 /nfs/dbraw/zinc/25/72/93/1067257293.db2.gz BCQBVZLXVITFBP-QHCPKHFHSA-N 2 0 458.626 3.392 20 0 JGADRP CC(C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302627692 1067257963 /nfs/dbraw/zinc/25/79/63/1067257963.db2.gz FOFDWGNDYRXFRN-JXALWOEJSA-N 2 0 464.724 3.164 20 0 JGADRP Cc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)[NH+](C)C)cc1 ZINC001304276803 1067315121 /nfs/dbraw/zinc/31/51/21/1067315121.db2.gz VPPMKJFDLDHYHM-HSZRJFAPSA-N 2 0 467.662 3.046 20 0 JGADRP CC(C)C[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001302815815 1067402923 /nfs/dbraw/zinc/40/29/23/1067402923.db2.gz BMKXFCWGWLVSGV-LJQANCHMSA-N 2 0 480.661 3.491 20 0 JGADRP CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC001302822573 1067411443 /nfs/dbraw/zinc/41/14/43/1067411443.db2.gz NNHRUOQYLQAJJJ-DEOSSOPVSA-N 2 0 487.737 3.469 20 0 JGADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C(C)(C)C)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001302865655 1067446632 /nfs/dbraw/zinc/44/66/32/1067446632.db2.gz BGJPKGIWUXYIDL-JOCHJYFZSA-N 2 0 467.706 3.312 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@]2(O)CC[NH+](C)C2)cc1C ZINC001304410926 1067478217 /nfs/dbraw/zinc/47/82/17/1067478217.db2.gz XZDKDZPJEVIRAP-HHHXNRCGSA-N 2 0 484.689 3.097 20 0 JGADRP CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302897604 1067478576 /nfs/dbraw/zinc/47/85/76/1067478576.db2.gz YJUSCVGJSAHRGI-ZEQRLZLVSA-N 2 0 459.727 3.203 20 0 JGADRP Cc1ccc(SCc2nnc(N3CC[NH+](C(C)C)CC3)n2CC[NH+]2CCSCC2)cc1 ZINC001304438501 1067518290 /nfs/dbraw/zinc/51/82/90/1067518290.db2.gz XTDZAAVPCXNMLF-UHFFFAOYSA-N 2 0 460.717 3.458 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302960664 1067532137 /nfs/dbraw/zinc/53/21/37/1067532137.db2.gz BXJFSDQOJIMNQR-DEOSSOPVSA-N 2 0 454.663 3.208 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001302962033 1067533379 /nfs/dbraw/zinc/53/33/79/1067533379.db2.gz STMHYXOAGNAACM-XMMPIXPASA-N 2 0 454.663 3.207 20 0 JGADRP Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[NH+]2CCSCC2)n1 ZINC001304467617 1067546093 /nfs/dbraw/zinc/54/60/93/1067546093.db2.gz OSVQGSPZKICQAJ-UHFFFAOYSA-N 2 0 457.692 3.254 20 0 JGADRP Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001304508579 1067582669 /nfs/dbraw/zinc/58/26/69/1067582669.db2.gz IQBDTIDVFKNIAO-UHFFFAOYSA-N 2 0 470.662 3.197 20 0 JGADRP Cc1cccc(OCc2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304511879 1067588221 /nfs/dbraw/zinc/58/82/21/1067588221.db2.gz JDWGZJJUHUCVHV-UHFFFAOYSA-N 2 0 470.662 3.197 20 0 JGADRP Cc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304531606 1067602628 /nfs/dbraw/zinc/60/26/28/1067602628.db2.gz YDHLJGOZTVFCRH-UHFFFAOYSA-N 2 0 454.663 3.456 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304561871 1067632246 /nfs/dbraw/zinc/63/22/46/1067632246.db2.gz RCFAIJXHLDVCEP-ILBGXUMGSA-N 2 0 468.690 3.312 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304561872 1067632314 /nfs/dbraw/zinc/63/23/14/1067632314.db2.gz RCFAIJXHLDVCEP-NOZRDPDXSA-N 2 0 468.690 3.312 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOCC[NH+](C)C)CC1 ZINC001303184545 1067718065 /nfs/dbraw/zinc/71/80/65/1067718065.db2.gz SUGHQRYAUYEWEK-FQEVSTJZSA-N 2 0 474.719 3.488 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001303195453 1067728396 /nfs/dbraw/zinc/72/83/96/1067728396.db2.gz FXQHYWYNMIHUFP-GOTSBHOMSA-N 2 0 453.679 3.410 20 0 JGADRP Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](c2ccco2)[NH+](C)C)cs1 ZINC001304669340 1067737339 /nfs/dbraw/zinc/73/73/39/1067737339.db2.gz HEARFEOXLOEYPN-FQEVSTJZSA-N 2 0 457.648 3.308 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001303255116 1067780742 /nfs/dbraw/zinc/78/07/42/1067780742.db2.gz WCFSFQGFJINVJI-QFIPXVFZSA-N 2 0 487.718 3.435 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001303256404 1067783438 /nfs/dbraw/zinc/78/34/38/1067783438.db2.gz KDTPNFCGTDLGRO-VWLOTQADSA-N 2 0 495.716 3.444 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001303263592 1067790850 /nfs/dbraw/zinc/79/08/50/1067790850.db2.gz PWLMOVZXEAXSFT-GOTSBHOMSA-N 2 0 468.694 3.065 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001303264624 1067792098 /nfs/dbraw/zinc/79/20/98/1067792098.db2.gz MLJXGEFWFRHGEC-UHFFFAOYSA-N 2 0 466.634 3.245 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001303268775 1067796891 /nfs/dbraw/zinc/79/68/91/1067796891.db2.gz MJGJZAZRTQCMAD-SJLPKXTDSA-N 2 0 464.456 3.059 20 0 JGADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001303278478 1067806587 /nfs/dbraw/zinc/80/65/87/1067806587.db2.gz GJPAPBONHRFFED-YMPZKCBVSA-N 2 0 476.710 3.226 20 0 JGADRP CC(C)[NH+](CCCn1c(Cc2cccnc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C(C)C ZINC001303291551 1067816259 /nfs/dbraw/zinc/81/62/59/1067816259.db2.gz JQWDODNLIWTHTK-HSZRJFAPSA-N 2 0 483.705 3.462 20 0 JGADRP CC(C)[NH+](CCCn1c(CN2CCCC2=O)nnc1N1CCC([NH+]2CCCCC2)CC1)C(C)C ZINC001303292750 1067818191 /nfs/dbraw/zinc/81/81/91/1067818191.db2.gz OHGXXJZKUDACQY-UHFFFAOYSA-N 2 0 473.710 3.364 20 0 JGADRP CC(C)[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC001303299684 1067824164 /nfs/dbraw/zinc/82/41/64/1067824164.db2.gz XTRSQOCDRUWZEC-UHFFFAOYSA-N 2 0 464.662 3.162 20 0 JGADRP CC(C)[N@@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001303305190 1067833067 /nfs/dbraw/zinc/83/30/67/1067833067.db2.gz OTVHLCNFBCJIEI-HXUWFJFHSA-N 2 0 487.718 3.311 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)C2CCCC2)CC1 ZINC001303308064 1067836545 /nfs/dbraw/zinc/83/65/45/1067836545.db2.gz PQUPXOWEQLGFCW-UHFFFAOYSA-N 2 0 488.702 3.144 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304754984 1067837324 /nfs/dbraw/zinc/83/73/24/1067837324.db2.gz URTZGTUKZHAOKV-JOCHJYFZSA-N 2 0 456.683 3.227 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304755302 1067837618 /nfs/dbraw/zinc/83/76/18/1067837618.db2.gz ADTLQNFXBUTURC-XMMPIXPASA-N 2 0 470.710 3.428 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001303310776 1067839623 /nfs/dbraw/zinc/83/96/23/1067839623.db2.gz LOMKURQNZCNZAT-VSKRKVRLSA-N 2 0 489.709 3.454 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303316821 1067844394 /nfs/dbraw/zinc/84/43/94/1067844394.db2.gz KGVHZAUKCFGZFQ-OAQYLSRUSA-N 2 0 499.660 3.242 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC[NH+]1CCCCCC1 ZINC001303326353 1067855371 /nfs/dbraw/zinc/85/53/71/1067855371.db2.gz AGDOUULJDVYEDW-QHCPKHFHSA-N 2 0 467.662 3.003 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303328739 1067856659 /nfs/dbraw/zinc/85/66/59/1067856659.db2.gz QJSMHESGSGYVFI-QHCPKHFHSA-N 2 0 481.689 3.249 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001303329186 1067856859 /nfs/dbraw/zinc/85/68/59/1067856859.db2.gz XPURIVODTWQLQP-TUACAJSNSA-N 2 0 481.689 3.246 20 0 JGADRP Cc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001304787222 1067881283 /nfs/dbraw/zinc/88/12/83/1067881283.db2.gz BKPSARYNRYJAIK-UHFFFAOYSA-N 2 0 456.683 3.142 20 0 JGADRP Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304857964 1067907631 /nfs/dbraw/zinc/90/76/31/1067907631.db2.gz DQCDXVMHXZRGNN-IMSXRSKXSA-N 2 0 454.663 3.199 20 0 JGADRP Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304857965 1067907650 /nfs/dbraw/zinc/90/76/50/1067907650.db2.gz DQCDXVMHXZRGNN-LGVFNWMJSA-N 2 0 454.663 3.199 20 0 JGADRP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304858554 1067908345 /nfs/dbraw/zinc/90/83/45/1067908345.db2.gz AXLCZEKPPCJPEF-RTBURBONSA-N 2 0 474.616 3.434 20 0 JGADRP Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001304858899 1067908881 /nfs/dbraw/zinc/90/88/81/1067908881.db2.gz BQPYMBNTSCXDIS-ZLNRFVROSA-N 2 0 453.679 3.102 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304913272 1067957592 /nfs/dbraw/zinc/95/75/92/1067957592.db2.gz VVJSMZWCOWJXHT-WOJBJXKFSA-N 2 0 454.667 3.458 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304924807 1067967756 /nfs/dbraw/zinc/96/77/56/1067967756.db2.gz KTHPKJXPEUADSX-DHIUTWEWSA-N 2 0 473.710 3.193 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001303462381 1067981399 /nfs/dbraw/zinc/98/13/99/1067981399.db2.gz AVYLDTMEOYZMTH-OAQYLSRUSA-N 2 0 459.683 3.136 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCC2)CC1 ZINC001303462366 1067981440 /nfs/dbraw/zinc/98/14/40/1067981440.db2.gz AFYIPUIKRWXLRC-UHFFFAOYSA-N 2 0 464.456 3.109 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001303462647 1067981793 /nfs/dbraw/zinc/98/17/93/1067981793.db2.gz HLHIQTIFPCYHRH-JOCHJYFZSA-N 2 0 488.080 3.169 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCOC1 ZINC001303501213 1068028769 /nfs/dbraw/zinc/02/87/69/1068028769.db2.gz GAKJBILCTXZSHF-NVQXNPDNSA-N 2 0 476.710 3.360 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001303570595 1068094319 /nfs/dbraw/zinc/09/43/19/1068094319.db2.gz UQMIKOVFFTXYMY-UHFFFAOYSA-N 2 0 455.651 3.152 20 0 JGADRP C[C@H]1CCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001305061016 1068126429 /nfs/dbraw/zinc/12/64/29/1068126429.db2.gz XLMRGPGZOFAHHV-JTHBVZDNSA-N 2 0 454.663 3.207 20 0 JGADRP CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305061930 1068128335 /nfs/dbraw/zinc/12/83/35/1068128335.db2.gz HASQHARIBDOYEC-QHCPKHFHSA-N 2 0 487.737 3.340 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305063642 1068133281 /nfs/dbraw/zinc/13/32/81/1068133281.db2.gz ILNIRAOHGDVEMD-QHCPKHFHSA-N 2 0 481.689 3.249 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001305110085 1068180780 /nfs/dbraw/zinc/18/07/80/1068180780.db2.gz VWJCOUJZGQIINJ-QFIPXVFZSA-N 2 0 454.667 3.414 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001305112250 1068185975 /nfs/dbraw/zinc/18/59/75/1068185975.db2.gz GAUNRBZWXYAPQV-RUZDIDTESA-N 2 0 462.683 3.017 20 0 JGADRP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC001303705949 1068249912 /nfs/dbraw/zinc/24/99/12/1068249912.db2.gz PUPQMGFBIBDNLH-VIZSFHNOSA-N 2 0 450.635 3.118 20 0 JGADRP C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001303735199 1068292431 /nfs/dbraw/zinc/29/24/31/1068292431.db2.gz WFCJRNIKQJSKNN-NEKDWFFYSA-N 2 0 497.732 3.234 20 0 JGADRP C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001303737355 1068295788 /nfs/dbraw/zinc/29/57/88/1068295788.db2.gz FUEDYFOGQGLKSH-UWHLTILDSA-N 2 0 475.682 3.064 20 0 JGADRP C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC001303742675 1068301020 /nfs/dbraw/zinc/30/10/20/1068301020.db2.gz CVEGHCQUYGMZSI-MDNUFGMLSA-N 2 0 476.710 3.228 20 0 JGADRP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001303743908 1068303424 /nfs/dbraw/zinc/30/34/24/1068303424.db2.gz GFDZEAHNZKPCIR-NRFANRHFSA-N 2 0 482.677 3.214 20 0 JGADRP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001303743910 1068303563 /nfs/dbraw/zinc/30/35/63/1068303563.db2.gz GFDZEAHNZKPCIR-OAQYLSRUSA-N 2 0 482.677 3.214 20 0 JGADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCC[NH+](C)C ZINC001305219156 1068356532 /nfs/dbraw/zinc/35/65/32/1068356532.db2.gz AYZLUMCNALMCQG-SJLPKXTDSA-N 2 0 495.441 3.098 20 0 JGADRP C[C@@H]1CSCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001305241678 1068392210 /nfs/dbraw/zinc/39/22/10/1068392210.db2.gz ZKMHVLPWTXSOIL-JOCHJYFZSA-N 2 0 485.746 3.172 20 0 JGADRP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H]1CCCC[NH+]1CC ZINC001305408885 1068647976 /nfs/dbraw/zinc/64/79/76/1068647976.db2.gz AQIOCTIXQHDYTK-HIGZBPRKSA-N 2 0 473.710 3.045 20 0 JGADRP CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H]1CCCC[NH+]1CC ZINC001305408892 1068648066 /nfs/dbraw/zinc/64/80/66/1068648066.db2.gz AQIOCTIXQHDYTK-ZQRMPTRQSA-N 2 0 473.710 3.045 20 0 JGADRP CC[C@@H](C)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001305424129 1068659491 /nfs/dbraw/zinc/65/94/91/1068659491.db2.gz ZFEGQJDKWCLBGS-NHCUHLMSSA-N 2 0 455.651 3.403 20 0 JGADRP CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305509524 1068748612 /nfs/dbraw/zinc/74/86/12/1068748612.db2.gz MHABCPMNCZUCCW-QFIPXVFZSA-N 2 0 454.663 3.351 20 0 JGADRP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001305532131 1068789028 /nfs/dbraw/zinc/78/90/28/1068789028.db2.gz ZERQYDHLBFNJCR-ZCYQVOJMSA-N 2 0 489.753 3.143 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305541660 1068812936 /nfs/dbraw/zinc/81/29/36/1068812936.db2.gz YUFXWUXQINNWMJ-GOTSBHOMSA-N 2 0 453.679 3.140 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305544314 1068819946 /nfs/dbraw/zinc/81/99/46/1068819946.db2.gz OHTURCIYSVVYHL-QFIPXVFZSA-N 2 0 454.663 3.472 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544444 1068820840 /nfs/dbraw/zinc/82/08/40/1068820840.db2.gz HZMGURYNKADKCB-URXFXBBRSA-N 2 0 468.690 3.438 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305544557 1068820875 /nfs/dbraw/zinc/82/08/75/1068820875.db2.gz QULKCPNLQFKDNK-JOCHJYFZSA-N 2 0 454.663 3.003 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544446 1068820949 /nfs/dbraw/zinc/82/09/49/1068820949.db2.gz HZMGURYNKADKCB-ZJSXRUAMSA-N 2 0 468.690 3.438 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001305604173 1068869122 /nfs/dbraw/zinc/86/91/22/1068869122.db2.gz MKNAHEKXBUDHLM-NNMXDRDESA-N 2 0 488.080 3.265 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001305604168 1068869183 /nfs/dbraw/zinc/86/91/83/1068869183.db2.gz MKNAHEKXBUDHLM-JQVVWYNYSA-N 2 0 488.080 3.265 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001305611894 1068886984 /nfs/dbraw/zinc/88/69/84/1068886984.db2.gz AHEZSSCRTDZTRO-LJQANCHMSA-N 2 0 466.634 3.102 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001305615347 1068892884 /nfs/dbraw/zinc/89/28/84/1068892884.db2.gz PSKPPXUWPIXJAV-BDTNDASRSA-N 2 0 483.709 3.101 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001305622452 1068910977 /nfs/dbraw/zinc/91/09/77/1068910977.db2.gz RGTIPWGPMOLLQB-VQTJNVASSA-N 2 0 473.691 3.065 20 0 JGADRP CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677066 1069031818 /nfs/dbraw/zinc/03/18/18/1069031818.db2.gz WEAZZNOMIVDKGZ-DQEYMECFSA-N 2 0 495.716 3.293 20 0 JGADRP CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001305709131 1069102735 /nfs/dbraw/zinc/10/27/35/1069102735.db2.gz ACFVPDGLRFOFBL-NHCUHLMSSA-N 2 0 461.699 3.154 20 0 JGADRP CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([NH2+]C(C)C)CC1)[NH+]1CCOCC1 ZINC001305713273 1069114653 /nfs/dbraw/zinc/11/46/53/1069114653.db2.gz FJZNKRZUXDXSLM-XZOQPEGZSA-N 2 0 462.683 3.233 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305771562 1069248821 /nfs/dbraw/zinc/24/88/21/1069248821.db2.gz BAMRLGJXYGRMFO-NRFANRHFSA-N 2 0 463.715 3.483 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001305772226 1069250516 /nfs/dbraw/zinc/25/05/16/1069250516.db2.gz FZERIZJBFCQKKC-HXUWFJFHSA-N 2 0 461.699 3.239 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305785165 1069284349 /nfs/dbraw/zinc/28/43/49/1069284349.db2.gz IKJGYHSELGZJGH-JOCHJYFZSA-N 2 0 459.683 3.136 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001305785639 1069286826 /nfs/dbraw/zinc/28/68/26/1069286826.db2.gz IWZBTAJQCMSTOP-QFIPXVFZSA-N 2 0 495.716 3.421 20 0 JGADRP Clc1ncc2c(c1N1CCCO[C@]3(C[NH2+]CCOC3)C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164424133 718916533 /nfs/dbraw/zinc/91/65/33/718916533.db2.gz LSLJZFYFXIVWFH-AREMUKBSSA-N 2 0 499.055 3.342 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164626070 719046994 /nfs/dbraw/zinc/04/69/94/719046994.db2.gz QMKRHLJZACAUTG-OGQCEUPSSA-N 2 0 491.680 3.464 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164626064 719047046 /nfs/dbraw/zinc/04/70/46/719047046.db2.gz QMKRHLJZACAUTG-JICQUXPRSA-N 2 0 491.680 3.464 20 0 JGADRP C[N@@H+]1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]21 ZINC001164669271 719426187 /nfs/dbraw/zinc/42/61/87/719426187.db2.gz LMXLIZNSZWEVNY-FGZHOGPDSA-N 2 0 455.002 3.276 20 0 JGADRP CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680322 719655133 /nfs/dbraw/zinc/65/51/33/719655133.db2.gz FJDRFOIHNNSSRE-OAQYLSRUSA-N 2 0 464.658 3.335 20 0 JGADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)nc4c3CC[NH2+]C4)CC2)c2ccccc21 ZINC001164682145 719676518 /nfs/dbraw/zinc/67/65/18/719676518.db2.gz PFADPFYBGRZBSV-LJQANCHMSA-N 2 0 482.072 3.474 20 0 JGADRP CCc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164843853 720701567 /nfs/dbraw/zinc/70/15/67/720701567.db2.gz RJVSDTZNDDEYPM-QHCPKHFHSA-N 2 0 451.615 3.136 20 0 JGADRP C[C@@H]1CCCN1C(=O)c1nn(-c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164850658 720805614 /nfs/dbraw/zinc/80/56/14/720805614.db2.gz VQUHNZSPXHVTRB-LJQANCHMSA-N 2 0 456.594 3.096 20 0 JGADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cccc(N4CCOCC4)[nH+]2)C3)c1 ZINC001164749674 720899509 /nfs/dbraw/zinc/89/95/09/720899509.db2.gz ANVTXNYURRQCBT-SQHAQQRYSA-N 2 0 463.626 3.068 20 0 JGADRP [NH3+]C1CCN(c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164752535 720901883 /nfs/dbraw/zinc/90/18/83/720901883.db2.gz FBCNZGBPJXXPEJ-CUBQBAPOSA-N 3 0 476.669 3.159 20 0 JGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)nc1 ZINC001164879208 721291492 /nfs/dbraw/zinc/29/14/92/721291492.db2.gz XBIVTDDCIULELL-HSZRJFAPSA-N 2 0 457.663 3.026 20 0 JGADRP CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001164905766 721578949 /nfs/dbraw/zinc/57/89/49/721578949.db2.gz WJTXCAVHXGYZEU-XMMPIXPASA-N 2 0 469.630 3.318 20 0 JGADRP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164952935 721991387 /nfs/dbraw/zinc/99/13/87/721991387.db2.gz RLAXWGKAAQZGEW-KCWPFWIISA-N 2 0 496.677 3.240 20 0 JGADRP CC[C@@H](Cn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001305851278 1069405372 /nfs/dbraw/zinc/40/53/72/1069405372.db2.gz ZSHJOYUFQVIXOH-OFVILXPXSA-N 2 0 462.683 3.114 20 0 JGADRP C[N@H+](CCCn1c(N2CC[NH+](C[C@@H]3CCOC3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298678444 1064468057 /nfs/dbraw/zinc/46/80/57/1064468057.db2.gz BITQPVBEDFFRHK-QHCPKHFHSA-N 2 0 454.663 3.256 20 0 JGADRP Cn1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC001298887981 1064697322 /nfs/dbraw/zinc/69/73/22/1064697322.db2.gz ZDWGFNYHKHJWJK-NRFANRHFSA-N 2 0 456.683 3.357 20 0 JGADRP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC[N@H+](C)C(C)C ZINC001299908734 1065153525 /nfs/dbraw/zinc/15/35/25/1065153525.db2.gz ATEXPGVQHPNUFX-IBGZPJMESA-N 2 0 477.053 3.106 20 0 JGADRP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001299908828 1065154039 /nfs/dbraw/zinc/15/40/39/1065154039.db2.gz DKCUXKWUXKKWBI-UHFFFAOYSA-N 2 0 489.064 3.416 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001492241624 1065340855 /nfs/dbraw/zinc/34/08/55/1065340855.db2.gz YZCCZEDKAKGNTQ-QHCPKHFHSA-N 2 0 497.688 3.036 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492358911 1065420678 /nfs/dbraw/zinc/42/06/78/1065420678.db2.gz FNNHYPXVSVHGBR-QHCPKHFHSA-N 2 0 483.705 3.110 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708027 1066599152 /nfs/dbraw/zinc/59/91/52/1066599152.db2.gz GZFLWUPBRSVHHV-URXFXBBRSA-N 2 0 473.710 3.045 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001301726086 1066642364 /nfs/dbraw/zinc/64/23/64/1066642364.db2.gz OIPCFNKJOFGWGS-KRWDZBQOSA-N 2 0 497.507 3.412 20 0 JGADRP COCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001301731017 1066650642 /nfs/dbraw/zinc/65/06/42/1066650642.db2.gz IWDBYMYSCNTNAE-PKTZIBPZSA-N 2 0 462.683 3.190 20 0 JGADRP COCC[N@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001301736088 1066658025 /nfs/dbraw/zinc/65/80/25/1066658025.db2.gz HUTQVNFEGXMLJK-NRFANRHFSA-N 2 0 458.676 3.132 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302290736 1066869378 /nfs/dbraw/zinc/86/93/78/1066869378.db2.gz SFNJOUXXLBIVOE-FUDKSRODSA-N 2 0 462.683 3.089 20 0 JGADRP COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301874097 1066873872 /nfs/dbraw/zinc/87/38/72/1066873872.db2.gz DPZDQBSERWJZPF-REWPJTCUSA-N 2 0 497.688 3.036 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001301887016 1066899182 /nfs/dbraw/zinc/89/91/82/1066899182.db2.gz FYSDCMNKRURJNC-HZPDHXFCSA-N 2 0 455.434 3.359 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)C)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001302309001 1066901038 /nfs/dbraw/zinc/90/10/38/1066901038.db2.gz QMRHAQFNBQNCTM-VJBWXMMDSA-N 2 0 462.683 3.187 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301891885 1066912800 /nfs/dbraw/zinc/91/28/00/1066912800.db2.gz RQKQHWNJSXEJER-FGZHOGPDSA-N 2 0 470.662 3.233 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001301896436 1066919197 /nfs/dbraw/zinc/91/91/97/1066919197.db2.gz JVFGKMCPIOFSOB-IRLDBZIGSA-N 2 0 452.603 3.306 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909370 1066932904 /nfs/dbraw/zinc/93/29/04/1066932904.db2.gz AHUYDQBKLTZLBQ-WMZHIEFXSA-N 2 0 490.643 3.424 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001301918447 1066949001 /nfs/dbraw/zinc/94/90/01/1066949001.db2.gz CEKAARVMSAYAFS-ILBGXUMGSA-N 2 0 468.690 3.455 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301921253 1066954482 /nfs/dbraw/zinc/95/44/82/1066954482.db2.gz RXUBCMMHMSCKPV-VXKWHMMOSA-N 2 0 472.653 3.287 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301927000 1066960553 /nfs/dbraw/zinc/96/05/53/1066960553.db2.gz RSHFHUFUBQVVCC-VWNXMTODSA-N 2 0 484.689 3.177 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301927572 1066963088 /nfs/dbraw/zinc/96/30/88/1066963088.db2.gz JRMDIYGHJIPHQE-DHIUTWEWSA-N 2 0 470.662 3.054 20 0 JGADRP Cc1cc(C)cc(OCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304175576 1067224204 /nfs/dbraw/zinc/22/42/04/1067224204.db2.gz VIPCOWOTIXJVAH-UHFFFAOYSA-N 2 0 484.689 3.363 20 0 JGADRP CC(C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302626985 1067257410 /nfs/dbraw/zinc/25/74/10/1067257410.db2.gz BCQBVZLXVITFBP-HSZRJFAPSA-N 2 0 458.626 3.392 20 0 JGADRP Cc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H]2C)o1 ZINC001304324716 1067373274 /nfs/dbraw/zinc/37/32/74/1067373274.db2.gz QWHNHAWPKVBGBG-SFHVURJKSA-N 2 0 484.567 3.422 20 0 JGADRP CC(C)[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001302782270 1067376355 /nfs/dbraw/zinc/37/63/55/1067376355.db2.gz UPRJMQBIZHJJGQ-HSZRJFAPSA-N 2 0 469.678 3.335 20 0 JGADRP CC(C)C[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001302811694 1067399424 /nfs/dbraw/zinc/39/94/24/1067399424.db2.gz LAMHAOLMCKCOHQ-NRFANRHFSA-N 2 0 456.635 3.223 20 0 JGADRP CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC001302813484 1067400842 /nfs/dbraw/zinc/40/08/42/1067400842.db2.gz YDMRJBDATCBSGH-UKILVPOCSA-N 2 0 479.673 3.116 20 0 JGADRP CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001302818561 1067406097 /nfs/dbraw/zinc/40/60/97/1067406097.db2.gz NHEGLJOWRIGUNQ-OAQYLSRUSA-N 2 0 494.688 3.089 20 0 JGADRP CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC001302820909 1067408754 /nfs/dbraw/zinc/40/87/54/1067408754.db2.gz SCSLGKITHPMQNN-ILBGXUMGSA-N 2 0 489.753 3.143 20 0 JGADRP CC(C)C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1)[NH+](C)C ZINC001302823791 1067412543 /nfs/dbraw/zinc/41/25/43/1067412543.db2.gz VANMNJMDQDXBEX-HSZRJFAPSA-N 2 0 489.659 3.465 20 0 JGADRP CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001302899355 1067481538 /nfs/dbraw/zinc/48/15/38/1067481538.db2.gz IPGNPVGNFUJUES-VWLOTQADSA-N 2 0 485.696 3.352 20 0 JGADRP C[C@@H]1C[N@@H+](CC2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CC=CCC3)CC2)C[C@H](C)O1 ZINC001302902155 1067486404 /nfs/dbraw/zinc/48/64/04/1067486404.db2.gz WNGKSWVPXOZPPD-SZPZYZBQSA-N 2 0 458.695 3.454 20 0 JGADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1ccccc1OCC[NH+](C)C ZINC001302902382 1067487482 /nfs/dbraw/zinc/48/74/82/1067487482.db2.gz GTRXYLYAIZRYIS-NRFANRHFSA-N 2 0 484.689 3.254 20 0 JGADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001302937799 1067511431 /nfs/dbraw/zinc/51/14/31/1067511431.db2.gz CHRJRDPVPOPSJC-RTWAWAEBSA-N 2 0 460.692 3.390 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001302948574 1067522012 /nfs/dbraw/zinc/52/20/12/1067522012.db2.gz XQSFRTVSUKFIDG-HSZRJFAPSA-N 2 0 454.663 3.012 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302954929 1067526734 /nfs/dbraw/zinc/52/67/34/1067526734.db2.gz VHPOPKNLTQJVCE-VHYCJAOWSA-N 2 0 487.737 3.120 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302954928 1067526844 /nfs/dbraw/zinc/52/68/44/1067526844.db2.gz VHPOPKNLTQJVCE-KXTRFFEISA-N 2 0 487.737 3.120 20 0 JGADRP Cc1cccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC3CC[NH+](CCN(C)C)CC3)CC2)c1 ZINC001304495808 1067572207 /nfs/dbraw/zinc/57/22/07/1067572207.db2.gz NBUMPLIRKCRZJR-UHFFFAOYSA-N 2 0 481.733 3.480 20 0 JGADRP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)CC2)c1 ZINC001304497012 1067572811 /nfs/dbraw/zinc/57/28/11/1067572811.db2.gz AKYHVUJODMXPDO-UHFFFAOYSA-N 2 0 467.706 3.133 20 0 JGADRP Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001304571338 1067639564 /nfs/dbraw/zinc/63/95/64/1067639564.db2.gz ZCZJCBSVTPJTKG-HSZRJFAPSA-N 2 0 495.697 3.411 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001303178440 1067711516 /nfs/dbraw/zinc/71/15/16/1067711516.db2.gz OBEGNYKLAXTJEI-UHFFFAOYSA-N 2 0 469.678 3.083 20 0 JGADRP Cc1nc(Cc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)cs1 ZINC001304667738 1067735976 /nfs/dbraw/zinc/73/59/76/1067735976.db2.gz GRZLRBITGUTHHF-QFIPXVFZSA-N 2 0 489.734 3.181 20 0 JGADRP Cc1nc(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)cs1 ZINC001304674781 1067745699 /nfs/dbraw/zinc/74/56/99/1067745699.db2.gz VSROBDPZGXRZPI-UHFFFAOYSA-N 2 0 489.734 3.303 20 0 JGADRP CC(C)[N@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001303266212 1067793186 /nfs/dbraw/zinc/79/31/86/1067793186.db2.gz NXEJSPCKAOXHBT-DEOSSOPVSA-N 2 0 454.663 3.267 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001303268777 1067797080 /nfs/dbraw/zinc/79/70/80/1067797080.db2.gz MJGJZAZRTQCMAD-WMZOPIPTSA-N 2 0 464.456 3.059 20 0 JGADRP CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001303295343 1067819047 /nfs/dbraw/zinc/81/90/47/1067819047.db2.gz BVKBNFDBJIBXJX-NRFANRHFSA-N 2 0 455.651 3.148 20 0 JGADRP CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)C ZINC001303295885 1067819545 /nfs/dbraw/zinc/81/95/45/1067819545.db2.gz KZMYRXZEVBAERD-VWLOTQADSA-N 2 0 477.657 3.315 20 0 JGADRP CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001303295808 1067819648 /nfs/dbraw/zinc/81/96/48/1067819648.db2.gz IFPCYDZHIOEFKA-NRFANRHFSA-N 2 0 457.667 3.092 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001303310381 1067838018 /nfs/dbraw/zinc/83/80/18/1067838018.db2.gz GULJMJBTQSLDPP-MRXNPFEDSA-N 2 0 464.456 3.059 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001303310775 1067839503 /nfs/dbraw/zinc/83/95/03/1067839503.db2.gz LOMKURQNZCNZAT-FDFHNCONSA-N 2 0 489.709 3.454 20 0 JGADRP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316608 1067843543 /nfs/dbraw/zinc/84/35/43/1067843543.db2.gz GPFDXQQCEZSHDO-FGZHOGPDSA-N 2 0 459.727 3.301 20 0 JGADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316609 1067843918 /nfs/dbraw/zinc/84/39/18/1067843918.db2.gz GPFDXQQCEZSHDO-VXKWHMMOSA-N 2 0 459.727 3.301 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC[NH+](C)C(C)C ZINC001303329217 1067857242 /nfs/dbraw/zinc/85/72/42/1067857242.db2.gz YBYXVDLSWFGUDC-GMAHTHKFSA-N 2 0 469.678 3.246 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CC[NH+](C)C(C)C ZINC001303329218 1067857289 /nfs/dbraw/zinc/85/72/89/1067857289.db2.gz YBYXVDLSWFGUDC-JTHBVZDNSA-N 2 0 469.678 3.246 20 0 JGADRP Cc1nnc(N(C)CCOc2ccc(Cl)cc2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001304798966 1067884163 /nfs/dbraw/zinc/88/41/63/1067884163.db2.gz CQHHDKUWINWPTQ-UHFFFAOYSA-N 2 0 470.021 3.362 20 0 JGADRP Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001304825028 1067894417 /nfs/dbraw/zinc/89/44/17/1067894417.db2.gz FPOSOYFRSHOBLS-ZJSXRUAMSA-N 2 0 453.679 3.321 20 0 JGADRP Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304855638 1067906268 /nfs/dbraw/zinc/90/62/68/1067906268.db2.gz FUOFVEWUFIMDBI-GOTSBHOMSA-N 2 0 459.727 3.339 20 0 JGADRP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304858551 1067908395 /nfs/dbraw/zinc/90/83/95/1067908395.db2.gz AXLCZEKPPCJPEF-KDURUIRLSA-N 2 0 474.616 3.434 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001303386863 1067914507 /nfs/dbraw/zinc/91/45/07/1067914507.db2.gz ALLBRDFMPWWZTA-JOCHJYFZSA-N 2 0 473.710 3.383 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001303390114 1067919467 /nfs/dbraw/zinc/91/94/67/1067919467.db2.gz YQJHQIJRAXLYLF-QFIPXVFZSA-N 2 0 459.683 3.137 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001303408371 1067935381 /nfs/dbraw/zinc/93/53/81/1067935381.db2.gz VBTLXCKCZYILFK-OAQYLSRUSA-N 2 0 467.662 3.001 20 0 JGADRP CC(C)[N@H+](C)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001304916142 1067959775 /nfs/dbraw/zinc/95/97/75/1067959775.db2.gz DTQFJRJUIWZTRO-DNQXCXABSA-N 2 0 467.706 3.465 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001303462361 1067981357 /nfs/dbraw/zinc/98/13/57/1067981357.db2.gz ABYATZVWKQKHGR-OAHLLOKOSA-N 2 0 464.456 3.485 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001303465226 1067984321 /nfs/dbraw/zinc/98/43/21/1067984321.db2.gz GKYDMFSYFGSILW-UHFFFAOYSA-N 2 0 475.081 3.336 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2([NH+](C)C)CCCC2)CCOC1 ZINC001303501890 1068030905 /nfs/dbraw/zinc/03/09/05/1068030905.db2.gz JXQHVBUGQUTUKP-RUZDIDTESA-N 2 0 462.683 3.114 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001304989154 1068031412 /nfs/dbraw/zinc/03/14/12/1068031412.db2.gz RBTQVJHMQBSXRW-BWKNWUBXSA-N 2 0 457.667 3.331 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303504036 1068036419 /nfs/dbraw/zinc/03/64/19/1068036419.db2.gz UCIRKNBCVAUQJX-YIXXDRMTSA-N 2 0 484.689 3.370 20 0 JGADRP C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028723 1068086430 /nfs/dbraw/zinc/08/64/30/1068086430.db2.gz JDZUWKXCWPVEQS-FGZHOGPDSA-N 2 0 473.710 3.079 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305043553 1068099655 /nfs/dbraw/zinc/09/96/55/1068099655.db2.gz SJCOIGLKGQFRFM-QFIPXVFZSA-N 2 0 473.710 3.383 20 0 JGADRP C[C@H]1CCC[N@H+](CCn2c(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050145 1068111852 /nfs/dbraw/zinc/11/18/52/1068111852.db2.gz SNCJQAOKVFMHNI-GMAHTHKFSA-N 2 0 454.663 3.163 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001305105859 1068173587 /nfs/dbraw/zinc/17/35/87/1068173587.db2.gz FLWAUDNNJQRQBY-PKTZIBPZSA-N 2 0 473.710 3.097 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001305107564 1068176321 /nfs/dbraw/zinc/17/63/21/1068176321.db2.gz LAYUKWKDUFBSOK-DNQXCXABSA-N 2 0 487.737 3.485 20 0 JGADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC001305111420 1068182791 /nfs/dbraw/zinc/18/27/91/1068182791.db2.gz CGUNWHUXDTWYFU-ZLNRFVROSA-N 2 0 489.753 3.068 20 0 JGADRP C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3CC[NH+](C4CCOCC4)C[C@H]3C)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305114522 1068192572 /nfs/dbraw/zinc/19/25/72/1068192572.db2.gz ZHTZDBVBAJLCTO-NJYVYQBISA-N 2 0 476.710 3.153 20 0 JGADRP C[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303663788 1068195622 /nfs/dbraw/zinc/19/56/22/1068195622.db2.gz FYLMLHIVUDLEBB-NHCUHLMSSA-N 2 0 459.683 3.052 20 0 JGADRP C[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1)[NH+](C)C ZINC001303689346 1068228813 /nfs/dbraw/zinc/22/88/13/1068228813.db2.gz SCCGGEIQVWHJNY-LJQANCHMSA-N 2 0 488.080 3.266 20 0 JGADRP C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC001305151300 1068257419 /nfs/dbraw/zinc/25/74/19/1068257419.db2.gz DWACPIOZKIEONS-IBGZPJMESA-N 2 0 461.054 3.487 20 0 JGADRP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)[N@H+](C)C1CC1 ZINC001303726450 1068278767 /nfs/dbraw/zinc/27/87/67/1068278767.db2.gz DLPSHEWPDIIYRT-FDFHNCONSA-N 2 0 459.727 3.344 20 0 JGADRP C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001303734210 1068290589 /nfs/dbraw/zinc/29/05/89/1068290589.db2.gz DSJIGDSMAYPUEE-KCZVDYSFSA-N 2 0 493.622 3.228 20 0 JGADRP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001303753300 1068314773 /nfs/dbraw/zinc/31/47/73/1068314773.db2.gz WAVJUTZDUIQMNJ-FQEVSTJZSA-N 2 0 487.718 3.312 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001303753977 1068316019 /nfs/dbraw/zinc/31/60/19/1068316019.db2.gz GBZKWMAIDCGKEY-LJQANCHMSA-N 2 0 491.478 3.206 20 0 JGADRP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC001303760780 1068327033 /nfs/dbraw/zinc/32/70/33/1068327033.db2.gz XMLCKLOJFYYHPV-HSZRJFAPSA-N 2 0 468.690 3.200 20 0 JGADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCC[NH+](C)C ZINC001305219154 1068356426 /nfs/dbraw/zinc/35/64/26/1068356426.db2.gz AYZLUMCNALMCQG-AEFFLSMTSA-N 2 0 495.441 3.098 20 0 JGADRP C[C@H]1CSCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001305241679 1068392073 /nfs/dbraw/zinc/39/20/73/1068392073.db2.gz ZKMHVLPWTXSOIL-QFIPXVFZSA-N 2 0 485.746 3.172 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303926920 1068585963 /nfs/dbraw/zinc/58/59/63/1068585963.db2.gz QQTQSNQBLZSDBA-NRFANRHFSA-N 2 0 488.652 3.323 20 0 JGADRP CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001305413947 1068652604 /nfs/dbraw/zinc/65/26/04/1068652604.db2.gz ZNGBADAQVOBCPA-FVEXOFTDSA-N 2 0 487.737 3.293 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455608 1068694564 /nfs/dbraw/zinc/69/45/64/1068694564.db2.gz CTWFPUIWUKZUAA-VWNXMTODSA-N 2 0 453.679 3.140 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305456491 1068695869 /nfs/dbraw/zinc/69/58/69/1068695869.db2.gz FOEDTSQAHKAXQV-XWGVYQGASA-N 2 0 453.679 3.311 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305459840 1068702247 /nfs/dbraw/zinc/70/22/47/1068702247.db2.gz SVQRGJJHPLVGLO-BHDDXSALSA-N 2 0 457.667 3.292 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305540804 1068810057 /nfs/dbraw/zinc/81/00/57/1068810057.db2.gz LMXAPVCBSNWGLM-CQOQZXRMSA-N 2 0 454.663 3.349 20 0 JGADRP CC[C@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001305551989 1068830856 /nfs/dbraw/zinc/83/08/56/1068830856.db2.gz IBBFEEPIMFONLQ-JTHBVZDNSA-N 2 0 455.651 3.260 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001305606816 1068874709 /nfs/dbraw/zinc/87/47/09/1068874709.db2.gz WCCKXTGWDNRPDC-MOPGFXCFSA-N 2 0 476.069 3.122 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305609211 1068880979 /nfs/dbraw/zinc/88/09/79/1068880979.db2.gz SAEYSRSRYHONGA-LADGPHEKSA-N 2 0 483.705 3.289 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305614079 1068890693 /nfs/dbraw/zinc/89/06/93/1068890693.db2.gz JFVLOODTTYFGQZ-OFNKIYASSA-N 2 0 467.662 3.060 20 0 JGADRP CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001305704567 1069091453 /nfs/dbraw/zinc/09/14/53/1069091453.db2.gz FHLDQDPNZYFBSF-ZJSXRUAMSA-N 2 0 471.694 3.199 20 0 JGADRP CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC001305705121 1069092839 /nfs/dbraw/zinc/09/28/39/1069092839.db2.gz JDCZDFABYIHQPN-XUZZJYLKSA-N 2 0 476.710 3.228 20 0 JGADRP CCC(CC)[C@H](Cn1c(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001305714500 1069117818 /nfs/dbraw/zinc/11/78/18/1069117818.db2.gz JFNWUDLJAPSTKF-SZBRSHHCSA-N 2 0 476.710 3.358 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001305736660 1069158998 /nfs/dbraw/zinc/15/89/98/1069158998.db2.gz AXXFISWTOBPCJF-BHDDXSALSA-N 2 0 475.726 3.483 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001305785637 1069286946 /nfs/dbraw/zinc/28/69/46/1069286946.db2.gz IWZBTAJQCMSTOP-JOCHJYFZSA-N 2 0 495.716 3.421 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+]1CC ZINC001305787943 1069295860 /nfs/dbraw/zinc/29/58/60/1069295860.db2.gz QJXTZEJWZFPLIW-ZJSXRUAMSA-N 2 0 481.689 3.392 20 0 JGADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164614311 719016949 /nfs/dbraw/zinc/01/69/49/719016949.db2.gz DZEFLDNFNZCXIX-VJBMBRPKSA-N 2 0 497.039 3.486 20 0 JGADRP Cc1cc(N2CCCC2)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164680784 719655387 /nfs/dbraw/zinc/65/53/87/719655387.db2.gz ITTKXSDILBKCHJ-QFIPXVFZSA-N 2 0 476.669 3.479 20 0 JGADRP Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc(N2CCCC2)[nH+]1 ZINC001164681392 719658349 /nfs/dbraw/zinc/65/83/49/719658349.db2.gz NNHBVHZKKTZYHU-JOCHJYFZSA-N 2 0 476.669 3.479 20 0 JGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164714872 720153320 /nfs/dbraw/zinc/15/33/20/720153320.db2.gz ZYQBXSGZSVTRCE-QHCPKHFHSA-N 3 0 465.642 3.457 20 0 JGADRP CCn1nnc2c1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)[C@@H]2COCc1ccccc1 ZINC001164774932 721049351 /nfs/dbraw/zinc/04/93/51/721049351.db2.gz ZISHTOFDQXXZNU-XMMPIXPASA-N 2 0 462.598 3.487 20 0 JGADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC2)C1 ZINC001164872877 721277067 /nfs/dbraw/zinc/27/70/67/721277067.db2.gz HAACQFLUZBDUKH-UHFFFAOYSA-N 2 0 461.610 3.092 20 0 JGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950636 721991307 /nfs/dbraw/zinc/99/13/07/721991307.db2.gz JSEVEXFZRCPSBJ-BGWNEDDSSA-N 2 0 462.660 3.228 20 0 JGADRP CC[C@H](Cn1c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305848995 1069400466 /nfs/dbraw/zinc/40/04/66/1069400466.db2.gz CSOGTCPNXTYWRO-XPWALMASSA-N 2 0 459.727 3.445 20 0 JGADRP CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC001305914278 1069469302 /nfs/dbraw/zinc/46/93/02/1069469302.db2.gz AITKKWZZWKEKGZ-HSZRJFAPSA-N 2 0 469.678 3.060 20 0 JGADRP CCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001305921193 1069476851 /nfs/dbraw/zinc/47/68/51/1069476851.db2.gz WVVVBLLJCOBCKF-DEOSSOPVSA-N 2 0 454.663 3.254 20 0 JGADRP C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001298349827 1064213283 /nfs/dbraw/zinc/21/32/83/1064213283.db2.gz DZHYUKKKEICDQF-HHHXNRCGSA-N 2 0 468.690 3.282 20 0 JGADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCCC1 ZINC001298782028 1064586117 /nfs/dbraw/zinc/58/61/17/1064586117.db2.gz KWQKBTPBTBJWAH-NZQKXSOJSA-N 2 0 456.683 3.215 20 0 JGADRP C[N@@H+]1CC[C@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001298881943 1064688688 /nfs/dbraw/zinc/68/86/88/1064688688.db2.gz NEJCUJWIWPYQEP-HSZRJFAPSA-N 2 0 479.094 3.211 20 0 JGADRP C[N@@H+]1CCN(CCn2c(N3CCC[NH+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902553 1064706687 /nfs/dbraw/zinc/70/66/87/1064706687.db2.gz DCIVOCZCYMBVHP-UHFFFAOYSA-N 2 0 467.706 3.314 20 0 JGADRP COc1cc(OC)cc(-c2nnc(N3CC[NH+](CCc4cccs4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299953193 1065233207 /nfs/dbraw/zinc/23/32/07/1065233207.db2.gz WLQIKUMRCANJJP-IBGZPJMESA-N 2 0 484.670 3.339 20 0 JGADRP COc1cc(OC)cc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001299953510 1065233880 /nfs/dbraw/zinc/23/38/80/1065233880.db2.gz ZDRHVQFANHOPSW-QHCPKHFHSA-N 2 0 456.635 3.081 20 0 JGADRP COc1ccc(Br)c(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299972956 1065260783 /nfs/dbraw/zinc/26/07/83/1065260783.db2.gz DRTMONNBFRNZNT-MRXNPFEDSA-N 2 0 465.440 3.197 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492359249 1065420493 /nfs/dbraw/zinc/42/04/93/1065420493.db2.gz HWJAYQORZVEWRP-BJKOFHAPSA-N 2 0 483.705 3.029 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492386117 1065454788 /nfs/dbraw/zinc/45/47/88/1065454788.db2.gz XTTYYHOXPGUKOA-DEOSSOPVSA-N 2 0 497.732 3.419 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302025521 1066384256 /nfs/dbraw/zinc/38/42/56/1066384256.db2.gz RSLIPYQHTVWCGF-JOCHJYFZSA-N 2 0 462.683 3.189 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302057311 1066454198 /nfs/dbraw/zinc/45/41/98/1066454198.db2.gz YAJXNDODZLLBNB-XPWALMASSA-N 2 0 462.683 3.187 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302057313 1066454298 /nfs/dbraw/zinc/45/42/98/1066454298.db2.gz YAJXNDODZLLBNB-ZLNRFVROSA-N 2 0 462.683 3.187 20 0 JGADRP COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301607728 1066455151 /nfs/dbraw/zinc/45/51/51/1066455151.db2.gz PPNIQACELNSXJB-UHFFFAOYSA-N 2 0 453.006 3.236 20 0 JGADRP COCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301610087 1066456963 /nfs/dbraw/zinc/45/69/63/1066456963.db2.gz MKOOUHMTZWHIHN-UHFFFAOYSA-N 2 0 469.678 3.318 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302065904 1066466329 /nfs/dbraw/zinc/46/63/29/1066466329.db2.gz AALNLGMPALIRRI-FGZHOGPDSA-N 2 0 464.699 3.433 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302078696 1066492203 /nfs/dbraw/zinc/49/22/03/1066492203.db2.gz LRRWTRLAQKCEGK-RTWAWAEBSA-N 2 0 450.672 3.045 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302080414 1066496551 /nfs/dbraw/zinc/49/65/51/1066496551.db2.gz PDJYQYGDQYSXOB-NHCUHLMSSA-N 2 0 450.672 3.043 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001302080961 1066498819 /nfs/dbraw/zinc/49/88/19/1066498819.db2.gz RANPALWKIKFYMG-OAQYLSRUSA-N 2 0 484.689 3.022 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302093889 1066521799 /nfs/dbraw/zinc/52/17/99/1066521799.db2.gz XRGIEVMEKLHTEK-DNVJHFABSA-N 2 0 462.683 3.045 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301706968 1066596932 /nfs/dbraw/zinc/59/69/32/1066596932.db2.gz AAUVPHPPWYSVPM-RCZVLFRGSA-N 2 0 473.710 3.012 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301709046 1066602133 /nfs/dbraw/zinc/60/21/33/1066602133.db2.gz RUKPQQUVXLEWDI-NOZRDPDXSA-N 2 0 487.737 3.122 20 0 JGADRP CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001302191320 1066674312 /nfs/dbraw/zinc/67/43/12/1066674312.db2.gz ZOBRHHABRNBMPG-UHFFFAOYSA-N 2 0 473.710 3.338 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001302286420 1066858106 /nfs/dbraw/zinc/85/81/06/1066858106.db2.gz ICPWEUJHRUKSGV-BJESRGMDSA-N 2 0 462.683 3.043 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001302305528 1066894798 /nfs/dbraw/zinc/89/47/98/1066894798.db2.gz PMOXZOBKFSYJLF-SFTDATJTSA-N 2 0 450.672 3.041 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1CC[N@H+](C)C(C)C ZINC001302311906 1066906195 /nfs/dbraw/zinc/90/61/95/1066906195.db2.gz OJJVRIALERLREY-XWGVYQGASA-N 2 0 470.662 3.053 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001301889469 1066907477 /nfs/dbraw/zinc/90/74/77/1066907477.db2.gz ZNAAOTMOEGIBNK-PXNSSMCTSA-N 2 0 458.632 3.368 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001302312538 1066907961 /nfs/dbraw/zinc/90/79/61/1066907961.db2.gz VPCOKWVVTVNNCH-BVSLBCMMSA-N 2 0 476.691 3.145 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001301890922 1066910956 /nfs/dbraw/zinc/91/09/56/1066910956.db2.gz MNKHIZGORUMTKC-QFIPXVFZSA-N 2 0 470.662 3.233 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301896016 1066917869 /nfs/dbraw/zinc/91/78/69/1066917869.db2.gz CGPYKAKPBVUVOW-UXHICEINSA-N 2 0 461.054 3.487 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001301896437 1066919592 /nfs/dbraw/zinc/91/95/92/1066919592.db2.gz JVFGKMCPIOFSOB-RBBKRZOGSA-N 2 0 452.603 3.306 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001301909720 1066933498 /nfs/dbraw/zinc/93/34/98/1066933498.db2.gz FZFODRLRRARBJD-LJQANCHMSA-N 2 0 463.070 3.267 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001301911968 1066938377 /nfs/dbraw/zinc/93/83/77/1066938377.db2.gz JABYNOZOBJLWHK-OIBXWCBGSA-N 2 0 474.625 3.119 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001301912584 1066939528 /nfs/dbraw/zinc/93/95/28/1066939528.db2.gz KTXNMJGUUZTWKY-PUHATCMVSA-N 2 0 462.683 3.187 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301918433 1066948908 /nfs/dbraw/zinc/94/89/08/1066948908.db2.gz BUGRBHJKKCYERM-LEWJYISDSA-N 2 0 475.081 3.411 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301918435 1066948962 /nfs/dbraw/zinc/94/89/62/1066948962.db2.gz BUGRBHJKKCYERM-RTWAWAEBSA-N 2 0 475.081 3.411 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001301918448 1066949046 /nfs/dbraw/zinc/94/90/46/1066949046.db2.gz CEKAARVMSAYAFS-NOZRDPDXSA-N 2 0 468.690 3.455 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301918434 1066949269 /nfs/dbraw/zinc/94/92/69/1066949269.db2.gz BUGRBHJKKCYERM-NHCUHLMSSA-N 2 0 475.081 3.411 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920006 1066953094 /nfs/dbraw/zinc/95/30/94/1066953094.db2.gz LTVJSUMOAHQHAT-REWPJTCUSA-N 2 0 472.653 3.285 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301921250 1066954828 /nfs/dbraw/zinc/95/48/28/1066954828.db2.gz RXUBCMMHMSCKPV-FCHUYYIVSA-N 2 0 472.653 3.287 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301922724 1066956547 /nfs/dbraw/zinc/95/65/47/1066956547.db2.gz YNSQDERUFIUWAT-JRFVFWCSSA-N 2 0 468.690 3.455 20 0 JGADRP CC(C)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302569892 1067209292 /nfs/dbraw/zinc/20/92/92/1067209292.db2.gz KBGAEBGNSFTJSR-HSZRJFAPSA-N 2 0 454.663 3.349 20 0 JGADRP Cc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC([NH2+]C(C)C)CC2)[NH+](C)C)cc1 ZINC001304273082 1067309323 /nfs/dbraw/zinc/30/93/23/1067309323.db2.gz IHVQFJVQMJVZTM-QHCPKHFHSA-N 2 0 450.635 3.257 20 0 JGADRP Cc1ccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC001304274709 1067311462 /nfs/dbraw/zinc/31/14/62/1067311462.db2.gz NYSNMKMWZCYNQK-HSZRJFAPSA-N 2 0 490.656 3.315 20 0 JGADRP Cc1ccc(C)c(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001304288668 1067332842 /nfs/dbraw/zinc/33/28/42/1067332842.db2.gz IKKHJCNQIYLWSV-RUZDIDTESA-N 2 0 472.703 3.442 20 0 JGADRP Cc1ccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304325512 1067374315 /nfs/dbraw/zinc/37/43/15/1067374315.db2.gz VXIVOSSEHVGCJH-OYRHEFFESA-N 2 0 471.694 3.429 20 0 JGADRP CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001302807363 1067395134 /nfs/dbraw/zinc/39/51/34/1067395134.db2.gz DTSWESUHQZANQY-SFTDATJTSA-N 2 0 476.069 3.271 20 0 JGADRP CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+](C)C ZINC001302813482 1067400911 /nfs/dbraw/zinc/40/09/11/1067400911.db2.gz YDMRJBDATCBSGH-NOZRDPDXSA-N 2 0 479.673 3.116 20 0 JGADRP CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C[NH+]2CCCCCC2)CC1)[NH+](C)C ZINC001302822574 1067411501 /nfs/dbraw/zinc/41/15/01/1067411501.db2.gz NNHRUOQYLQAJJJ-XMMPIXPASA-N 2 0 487.737 3.469 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304383207 1067432397 /nfs/dbraw/zinc/43/23/97/1067432397.db2.gz IYEPSWOQYPYUHX-QHCPKHFHSA-N 2 0 497.688 3.179 20 0 JGADRP CC(C)Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001302870110 1067449856 /nfs/dbraw/zinc/44/98/56/1067449856.db2.gz XZQMQUNOLCYRCN-CTNGQTDRSA-N 2 0 495.594 3.240 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304411002 1067478238 /nfs/dbraw/zinc/47/82/38/1067478238.db2.gz NLZPFMXRZAZDQE-VWLOTQADSA-N 2 0 484.689 3.489 20 0 JGADRP Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001304569800 1067637434 /nfs/dbraw/zinc/63/74/34/1067637434.db2.gz CQXCQTRWHJPFNQ-UHFFFAOYSA-N 2 0 469.678 3.166 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001303185146 1067719582 /nfs/dbraw/zinc/71/95/82/1067719582.db2.gz UQHYOYIVSFNPRD-FXSPECFOSA-N 2 0 476.710 3.217 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001303198486 1067733329 /nfs/dbraw/zinc/73/33/29/1067733329.db2.gz CCDIXXWVNUFTDL-JOCHJYFZSA-N 2 0 488.652 3.131 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303258699 1067785153 /nfs/dbraw/zinc/78/51/53/1067785153.db2.gz OCLVDMYOCPKSJG-DHIUTWEWSA-N 2 0 467.662 3.089 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001303259753 1067786236 /nfs/dbraw/zinc/78/62/36/1067786236.db2.gz YMSUBXCZOOJMRW-IFMALSPDSA-N 2 0 459.683 3.050 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001303270416 1067799097 /nfs/dbraw/zinc/79/90/97/1067799097.db2.gz KNBXLEGVTHQSBM-UHFFFAOYSA-N 2 0 486.068 3.131 20 0 JGADRP CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(C)C ZINC001303295884 1067819637 /nfs/dbraw/zinc/81/96/37/1067819637.db2.gz KZMYRXZEVBAERD-RUZDIDTESA-N 2 0 477.657 3.315 20 0 JGADRP CC(C)[NH+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C ZINC001303295978 1067820008 /nfs/dbraw/zinc/82/00/08/1067820008.db2.gz NZCPJXPKKYDEKH-UHFFFAOYSA-N 2 0 494.692 3.350 20 0 JGADRP CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCCCCC3)CC2)CC1 ZINC001303298096 1067822314 /nfs/dbraw/zinc/82/23/14/1067822314.db2.gz OBQYTMMPMXOCKC-UHFFFAOYSA-N 2 0 459.727 3.446 20 0 JGADRP CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001303303577 1067829218 /nfs/dbraw/zinc/82/92/18/1067829218.db2.gz YCOOQPWWIUDUHQ-UHFFFAOYSA-N 2 0 488.652 3.152 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001303304689 1067831798 /nfs/dbraw/zinc/83/17/98/1067831798.db2.gz JYGCFVLXOWULBH-UHFFFAOYSA-N 2 0 464.456 3.441 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001303308048 1067836389 /nfs/dbraw/zinc/83/63/89/1067836389.db2.gz PCRWSNBFENPGMR-JOCHJYFZSA-N 2 0 467.445 3.239 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001303310024 1067837656 /nfs/dbraw/zinc/83/76/56/1067837656.db2.gz DILAQLOLIDBWME-OAQYLSRUSA-N 2 0 496.523 3.014 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303311959 1067840976 /nfs/dbraw/zinc/84/09/76/1067840976.db2.gz SDINGSMQBNWIJP-NRFANRHFSA-N 2 0 491.478 3.085 20 0 JGADRP CC(C)[NH+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C(C)C)CC1)C(C)C ZINC001303311914 1067841177 /nfs/dbraw/zinc/84/11/77/1067841177.db2.gz QZYBSBHCWOEVPR-UHFFFAOYSA-N 2 0 456.635 3.366 20 0 JGADRP CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001303317724 1067847140 /nfs/dbraw/zinc/84/71/40/1067847140.db2.gz BRJDFOHRCOYPFY-RPWUZVMVSA-N 2 0 475.726 3.243 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304762854 1067850475 /nfs/dbraw/zinc/85/04/75/1067850475.db2.gz FFSLTZJQJQXZRR-QHCPKHFHSA-N 2 0 478.689 3.438 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303328738 1067856587 /nfs/dbraw/zinc/85/65/87/1067856587.db2.gz QJSMHESGSGYVFI-HSZRJFAPSA-N 2 0 481.689 3.249 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCC[N@H+](C)C(C)C ZINC001303367659 1067897354 /nfs/dbraw/zinc/89/73/54/1067897354.db2.gz YYTYIVMVUHRCCF-UHFFFAOYSA-N 2 0 461.699 3.239 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001303386865 1067914656 /nfs/dbraw/zinc/91/46/56/1067914656.db2.gz ALLBRDFMPWWZTA-QFIPXVFZSA-N 2 0 473.710 3.383 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[NH+](C(C)C)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001303396530 1067923714 /nfs/dbraw/zinc/92/37/14/1067923714.db2.gz JSFJMBKVBHSENR-UHFFFAOYSA-N 2 0 469.678 3.225 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001303405117 1067933388 /nfs/dbraw/zinc/93/33/88/1067933388.db2.gz IATKNIDRIGEKCX-NRFANRHFSA-N 2 0 459.683 3.136 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001303466524 1067985657 /nfs/dbraw/zinc/98/56/57/1067985657.db2.gz QWVMXOYPIQZUNI-PMACEKPBSA-N 2 0 460.692 3.397 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981971 1068023022 /nfs/dbraw/zinc/02/30/22/1068023022.db2.gz CJTDEQIXKMWOTQ-QDPGVEIFSA-N 2 0 495.716 3.292 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304982566 1068023593 /nfs/dbraw/zinc/02/35/93/1068023593.db2.gz GXLWKQIFLVIOKK-HFZDXXHNSA-N 2 0 475.726 3.483 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001303500513 1068027479 /nfs/dbraw/zinc/02/74/79/1068027479.db2.gz ICSRZZSONAYVPE-VWLOTQADSA-N 2 0 462.683 3.115 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)CCOC1 ZINC001303503275 1068034537 /nfs/dbraw/zinc/03/45/37/1068034537.db2.gz BZSDCSBYTOKMEF-RLWLMLJZSA-N 2 0 476.710 3.360 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001303570716 1068095160 /nfs/dbraw/zinc/09/51/60/1068095160.db2.gz WGEGNDYSBBAZGI-OAQYLSRUSA-N 2 0 469.659 3.252 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305048734 1068107867 /nfs/dbraw/zinc/10/78/67/1068107867.db2.gz LRRYDVRAMWCRCG-ATIYNZHBSA-N 2 0 476.710 3.361 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305048736 1068108617 /nfs/dbraw/zinc/10/86/17/1068108617.db2.gz LRRYDVRAMWCRCG-GJZUVCINSA-N 2 0 476.710 3.361 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305104639 1068172561 /nfs/dbraw/zinc/17/25/61/1068172561.db2.gz ZOHUGXSEVWNYJO-XMMPIXPASA-N 2 0 454.663 3.379 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001305109713 1068180100 /nfs/dbraw/zinc/18/01/00/1068180100.db2.gz SVVXCCFLKVFFNG-BJKOFHAPSA-N 2 0 487.737 3.485 20 0 JGADRP C[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC001303715185 1068261894 /nfs/dbraw/zinc/26/18/94/1068261894.db2.gz BAEZXDJENPXMOW-LJQANCHMSA-N 2 0 475.682 3.017 20 0 JGADRP C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303734428 1068290793 /nfs/dbraw/zinc/29/07/93/1068290793.db2.gz INZADYZCQDIKAZ-VXKWHMMOSA-N 2 0 454.663 3.093 20 0 JGADRP C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1ccsc1)[NH+](C)C ZINC001303734888 1068291403 /nfs/dbraw/zinc/29/14/03/1068291403.db2.gz QOKDNHVNMCULFZ-NRFANRHFSA-N 2 0 467.687 3.291 20 0 JGADRP C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001303735197 1068292418 /nfs/dbraw/zinc/29/24/18/1068292418.db2.gz WFCJRNIKQJSKNN-LXFBAYGMSA-N 2 0 497.732 3.234 20 0 JGADRP C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001303735783 1068293416 /nfs/dbraw/zinc/29/34/16/1068293416.db2.gz DPEURWJAZMCMID-VQTJNVASSA-N 2 0 477.053 3.009 20 0 JGADRP C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC001303742676 1068301234 /nfs/dbraw/zinc/30/12/34/1068301234.db2.gz CVEGHCQUYGMZSI-YMPZKCBVSA-N 2 0 476.710 3.228 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001303754221 1068316693 /nfs/dbraw/zinc/31/66/93/1068316693.db2.gz GTZKNARZDCVLGA-SFHVURJKSA-N 2 0 465.017 3.236 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305224605 1068367016 /nfs/dbraw/zinc/36/70/16/1068367016.db2.gz YBOZSJPOXWZRLP-ZRZAMGCNSA-N 2 0 454.663 3.093 20 0 JGADRP C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001303926364 1068584235 /nfs/dbraw/zinc/58/42/35/1068584235.db2.gz KNEJLARFQGNOIU-FQEVSTJZSA-N 2 0 488.652 3.325 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305614077 1068890614 /nfs/dbraw/zinc/89/06/14/1068890614.db2.gz JFVLOODTTYFGQZ-NZQKXSOJSA-N 2 0 467.662 3.060 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305614080 1068890789 /nfs/dbraw/zinc/89/07/89/1068890789.db2.gz JFVLOODTTYFGQZ-REWPJTCUSA-N 2 0 467.662 3.060 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001305615486 1068893714 /nfs/dbraw/zinc/89/37/14/1068893714.db2.gz WPSMZJZZRXOZJS-FKBYEOEOSA-N 2 0 456.683 3.500 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001305616208 1068896109 /nfs/dbraw/zinc/89/61/09/1068896109.db2.gz UJLQRDKNNBOAEV-KEZOAJOQSA-N 2 0 475.726 3.245 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001305621589 1068908134 /nfs/dbraw/zinc/90/81/34/1068908134.db2.gz MSBZNFZPCGUFCG-CJRSTVEYSA-N 2 0 489.753 3.143 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001305621591 1068908359 /nfs/dbraw/zinc/90/83/59/1068908359.db2.gz MSBZNFZPCGUFCG-OLKYXYMISA-N 2 0 489.753 3.143 20 0 JGADRP CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677068 1069031953 /nfs/dbraw/zinc/03/19/53/1069031953.db2.gz WEAZZNOMIVDKGZ-LOSJGSFVSA-N 2 0 495.716 3.293 20 0 JGADRP CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001305704343 1069090555 /nfs/dbraw/zinc/09/05/55/1069090555.db2.gz FAJSHLUJPFPKPU-OFNKIYASSA-N 2 0 473.710 3.191 20 0 JGADRP CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001305707143 1069097395 /nfs/dbraw/zinc/09/73/95/1069097395.db2.gz PVGSFPRPJJBPMS-NZQKXSOJSA-N 2 0 457.667 3.188 20 0 JGADRP CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001305708663 1069102032 /nfs/dbraw/zinc/10/20/32/1069102032.db2.gz XTGQPAOAKQLJTR-FQEVSTJZSA-N 2 0 470.666 3.212 20 0 JGADRP CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001305710900 1069108829 /nfs/dbraw/zinc/10/88/29/1069108829.db2.gz XQPGCLYEYYJPGJ-DQEYMECFSA-N 2 0 495.716 3.363 20 0 JGADRP CCC(CC)[C@H](Cn1c(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001305714497 1069117677 /nfs/dbraw/zinc/11/76/77/1069117677.db2.gz JFNWUDLJAPSTKF-OUVPSQHASA-N 2 0 476.710 3.358 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001305753603 1069203104 /nfs/dbraw/zinc/20/31/04/1069203104.db2.gz AYEBSXCXCLPQFE-HXUWFJFHSA-N 2 0 461.699 3.239 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305772724 1069251592 /nfs/dbraw/zinc/25/15/92/1069251592.db2.gz JZCOMDFXLVIAKU-SFTDATJTSA-N 2 0 491.725 3.006 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001305787453 1069293911 /nfs/dbraw/zinc/29/39/11/1069293911.db2.gz AFXCTEKMLMCAJT-DHIUTWEWSA-N 2 0 485.652 3.313 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164417987 718892737 /nfs/dbraw/zinc/89/27/37/718892737.db2.gz MJVHEYIMVOPXBD-XXBNENTESA-N 2 0 457.663 3.239 20 0 JGADRP Cc1cc(N2CCCC2)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164680781 719655156 /nfs/dbraw/zinc/65/51/56/719655156.db2.gz ITTKXSDILBKCHJ-JOCHJYFZSA-N 2 0 476.669 3.479 20 0 JGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164710859 720134890 /nfs/dbraw/zinc/13/48/90/720134890.db2.gz FBQCIBBIOVFAJU-XMMPIXPASA-N 2 0 465.642 3.459 20 0 JGADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cccc(N4CCOCC4)[nH+]2)C3)c1 ZINC001164749644 720899223 /nfs/dbraw/zinc/89/92/23/720899223.db2.gz ANVTXNYURRQCBT-IGKIAQTJSA-N 2 0 463.626 3.068 20 0 JGADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164751781 720899463 /nfs/dbraw/zinc/89/94/63/720899463.db2.gz DOZKLDYMQJQATC-SHQCIBLASA-N 2 0 462.642 3.094 20 0 JGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)nc1 ZINC001164879209 721290897 /nfs/dbraw/zinc/29/08/97/721290897.db2.gz XBIVTDDCIULELL-QHCPKHFHSA-N 2 0 457.663 3.026 20 0 JGADRP Cc1nc(COC[C@H]2Cn3nccc3CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)cs1 ZINC001164875521 721332575 /nfs/dbraw/zinc/33/25/75/721332575.db2.gz LUMIDPDCSORPOH-LJQANCHMSA-N 2 0 468.627 3.369 20 0 JGADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164786810 721455250 /nfs/dbraw/zinc/45/52/50/721455250.db2.gz NRYZGXWMVMWTSO-OAQYLSRUSA-N 2 0 478.081 3.331 20 0 JGADRP C[N@@H+]1CC[C@@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001298882312 1064689500 /nfs/dbraw/zinc/68/95/00/1064689500.db2.gz UIQSMQSWTBBOFG-MHZLTWQESA-N 2 0 484.689 3.142 20 0 JGADRP C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298884346 1064690211 /nfs/dbraw/zinc/69/02/11/1064690211.db2.gz AQTFNJJVDNJEST-NRFANRHFSA-N 2 0 454.667 3.414 20 0 JGADRP CO[C@@]1(C)CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC[N@H+](C)C(C)C)CC1 ZINC001299768190 1064965047 /nfs/dbraw/zinc/96/50/47/1064965047.db2.gz LISCBODJFXUOLA-NDEPHWFRSA-N 2 0 497.732 3.378 20 0 JGADRP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC[NH+]1CCSCC1 ZINC001299908959 1065154932 /nfs/dbraw/zinc/15/49/32/1065154932.db2.gz JLWQGNHHBNCPTJ-UHFFFAOYSA-N 2 0 479.094 3.434 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CCOCC[NH+](C)C)cc1C ZINC001492269305 1065364973 /nfs/dbraw/zinc/36/49/73/1065364973.db2.gz YALGCOZZEWGQFN-HXUWFJFHSA-N 2 0 497.688 3.036 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001492358670 1065419838 /nfs/dbraw/zinc/41/98/38/1065419838.db2.gz CBNHZSAQIFCGBT-UHFFFAOYSA-N 2 0 470.662 3.243 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492359250 1065420520 /nfs/dbraw/zinc/42/05/20/1065420520.db2.gz HWJAYQORZVEWRP-DNQXCXABSA-N 2 0 483.705 3.029 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001492377240 1065440806 /nfs/dbraw/zinc/44/08/06/1065440806.db2.gz NTNMDUIZXXZUOL-UHFFFAOYSA-N 2 0 497.732 3.360 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492377472 1065441566 /nfs/dbraw/zinc/44/15/66/1065441566.db2.gz QDVWIUJGLHZHCU-QHCPKHFHSA-N 2 0 484.689 3.302 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302054156 1066446543 /nfs/dbraw/zinc/44/65/43/1066446543.db2.gz LDLPEQAUVFTNAO-ACESQOTJSA-N 2 0 462.683 3.187 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302054160 1066446565 /nfs/dbraw/zinc/44/65/65/1066446565.db2.gz LDLPEQAUVFTNAO-GPJHCHHRSA-N 2 0 462.683 3.187 20 0 JGADRP COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001301607710 1066454287 /nfs/dbraw/zinc/45/42/87/1066454287.db2.gz PCUUVKUMYMEWQT-LJQANCHMSA-N 2 0 465.017 3.380 20 0 JGADRP COCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001301607917 1066455170 /nfs/dbraw/zinc/45/51/70/1066455170.db2.gz TZSRQBASCMDFOG-UHFFFAOYSA-N 2 0 476.069 3.417 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302065905 1066466341 /nfs/dbraw/zinc/46/63/41/1066466341.db2.gz AALNLGMPALIRRI-VXKWHMMOSA-N 2 0 464.699 3.433 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302068410 1066472000 /nfs/dbraw/zinc/47/20/00/1066472000.db2.gz PFDKDIBXRUNNDX-OAQYLSRUSA-N 2 0 450.672 3.045 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001302068909 1066472654 /nfs/dbraw/zinc/47/26/54/1066472654.db2.gz RTCPHTZRJAXWHF-OAQYLSRUSA-N 2 0 450.672 3.189 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302091649 1066519419 /nfs/dbraw/zinc/51/94/19/1066519419.db2.gz FWSIJLAIHWBZKG-YPAWHYETSA-N 2 0 462.683 3.187 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708028 1066599214 /nfs/dbraw/zinc/59/92/14/1066599214.db2.gz GZFLWUPBRSVHHV-XUZZJYLKSA-N 2 0 473.710 3.045 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[NH+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001301708300 1066600761 /nfs/dbraw/zinc/60/07/61/1066600761.db2.gz KYVKKOJVWUEOCD-HYVLGVRCSA-N 2 0 487.737 3.075 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001301726091 1066642326 /nfs/dbraw/zinc/64/23/26/1066642326.db2.gz OMISUOULTVLTQL-UHFFFAOYSA-N 2 0 453.006 3.094 20 0 JGADRP COCC[N@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001301736090 1066658075 /nfs/dbraw/zinc/65/80/75/1066658075.db2.gz HUTQVNFEGXMLJK-OAQYLSRUSA-N 2 0 458.676 3.132 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001302286419 1066857995 /nfs/dbraw/zinc/85/79/95/1066857995.db2.gz ICPWEUJHRUKSGV-AFXVXQJMSA-N 2 0 462.683 3.043 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001302286421 1066858123 /nfs/dbraw/zinc/85/81/23/1066858123.db2.gz ICPWEUJHRUKSGV-GPJHCHHRSA-N 2 0 462.683 3.043 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001302286422 1066858138 /nfs/dbraw/zinc/85/81/38/1066858138.db2.gz ICPWEUJHRUKSGV-MLCQCVOFSA-N 2 0 462.683 3.043 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302303610 1066891076 /nfs/dbraw/zinc/89/10/76/1066891076.db2.gz JYMGQDIERFNWLI-VABKMULXSA-N 2 0 462.683 3.045 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301886244 1066896802 /nfs/dbraw/zinc/89/68/02/1066896802.db2.gz SXKJZXIHYGWWFL-MRXNPFEDSA-N 2 0 483.480 3.022 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001301887015 1066898976 /nfs/dbraw/zinc/89/89/76/1066898976.db2.gz FYSDCMNKRURJNC-HOTGVXAUSA-N 2 0 455.434 3.359 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001302311451 1066905263 /nfs/dbraw/zinc/90/52/63/1066905263.db2.gz JVEQWGAEAAXWHU-GOTSBHOMSA-N 2 0 476.710 3.292 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001301889468 1066907520 /nfs/dbraw/zinc/90/75/20/1066907520.db2.gz ZNAAOTMOEGIBNK-FXAWDEMLSA-N 2 0 458.632 3.368 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301891882 1066912674 /nfs/dbraw/zinc/91/26/74/1066912674.db2.gz RQKQHWNJSXEJER-FCHUYYIVSA-N 2 0 470.662 3.233 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896047 1066917792 /nfs/dbraw/zinc/91/77/92/1066917792.db2.gz DFWCKIYJULLVOZ-SFTDATJTSA-N 2 0 491.080 3.112 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301918299 1066948310 /nfs/dbraw/zinc/94/83/10/1066948310.db2.gz HBDBXWKMPYGEJY-WIOPSUGQSA-N 2 0 477.657 3.032 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001301918358 1066948415 /nfs/dbraw/zinc/94/84/15/1066948415.db2.gz ACNFQJBZSSSMKX-FQEVSTJZSA-N 2 0 458.626 3.039 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301926997 1066960831 /nfs/dbraw/zinc/96/08/31/1066960831.db2.gz RSHFHUFUBQVVCC-ISKFKSNPSA-N 2 0 484.689 3.177 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001301927361 1066961964 /nfs/dbraw/zinc/96/19/64/1066961964.db2.gz DCMFDZUVEOLAHR-QHCPKHFHSA-N 2 0 470.662 3.198 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301927574 1066963257 /nfs/dbraw/zinc/96/32/57/1066963257.db2.gz JRMDIYGHJIPHQE-PKTZIBPZSA-N 2 0 470.662 3.054 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001301928041 1066964927 /nfs/dbraw/zinc/96/49/27/1066964927.db2.gz RQIKDCKODPJZIZ-RPWUZVMVSA-N 2 0 484.689 3.443 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001301928042 1066965317 /nfs/dbraw/zinc/96/53/17/1066965317.db2.gz RQIKDCKODPJZIZ-ZEQRLZLVSA-N 2 0 484.689 3.443 20 0 JGADRP Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030157 1067078448 /nfs/dbraw/zinc/07/84/48/1067078448.db2.gz NLFXJBRDTSSMTA-XZOQPEGZSA-N 2 0 470.662 3.288 20 0 JGADRP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304140962 1067182874 /nfs/dbraw/zinc/18/28/74/1067182874.db2.gz VHPHADULWLAJFW-NLFFAJNJSA-N 2 0 491.080 3.285 20 0 JGADRP CSC1(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001302623973 1067253965 /nfs/dbraw/zinc/25/39/65/1067253965.db2.gz VXDQNPOEDUDSDG-UHFFFAOYSA-N 2 0 488.750 3.278 20 0 JGADRP CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC001302813480 1067400738 /nfs/dbraw/zinc/40/07/38/1067400738.db2.gz YDMRJBDATCBSGH-ILBGXUMGSA-N 2 0 479.673 3.116 20 0 JGADRP CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+](C)C ZINC001302813542 1067400868 /nfs/dbraw/zinc/40/08/68/1067400868.db2.gz YUDGTFVGSUJFJX-XPWALMASSA-N 2 0 470.710 3.244 20 0 JGADRP CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001302817800 1067405096 /nfs/dbraw/zinc/40/50/96/1067405096.db2.gz GBFKRHIYCWCQBJ-NRFANRHFSA-N 2 0 490.643 3.424 20 0 JGADRP CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC001302824279 1067412848 /nfs/dbraw/zinc/41/28/48/1067412848.db2.gz YPKXPUURVDPDOJ-AREMUKBSSA-N 2 0 496.748 3.235 20 0 JGADRP CC(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302889678 1067469174 /nfs/dbraw/zinc/46/91/74/1067469174.db2.gz NUXNMMRXBYFDAV-UHFFFAOYSA-N 2 0 490.737 3.041 20 0 JGADRP C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC001302891930 1067471116 /nfs/dbraw/zinc/47/11/16/1067471116.db2.gz CLFOAYFCFMFZKH-OYRHEFFESA-N 2 0 455.651 3.088 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@]2(O)CC[NH+](C)C2)cc1C ZINC001304410927 1067478340 /nfs/dbraw/zinc/47/83/40/1067478340.db2.gz XZDKDZPJEVIRAP-MHZLTWQESA-N 2 0 484.689 3.097 20 0 JGADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC[NH+](C)Cc1ccccc1 ZINC001302902755 1067488037 /nfs/dbraw/zinc/48/80/37/1067488037.db2.gz OIRVLLVGPRMXRL-NRFANRHFSA-N 2 0 454.663 3.397 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001304419052 1067493199 /nfs/dbraw/zinc/49/31/99/1067493199.db2.gz VGFYGJBWBIPQBO-UHFFFAOYSA-N 2 0 483.705 3.030 20 0 JGADRP Cc1cccc(C[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001304497107 1067572748 /nfs/dbraw/zinc/57/27/48/1067572748.db2.gz CGESDNSIIXWDDS-DEOSSOPVSA-N 2 0 464.662 3.286 20 0 JGADRP Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001304512211 1067588845 /nfs/dbraw/zinc/58/88/45/1067588845.db2.gz NOCILCYJEXJFNF-VWLOTQADSA-N 2 0 472.703 3.381 20 0 JGADRP Cc1ccccc1-c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC[N@@H+](C)C(C)C ZINC001304526245 1067599017 /nfs/dbraw/zinc/59/90/17/1067599017.db2.gz UPKQDNZTOXAJLT-UHFFFAOYSA-N 2 0 464.662 3.391 20 0 JGADRP Cc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001304533954 1067604409 /nfs/dbraw/zinc/60/44/09/1067604409.db2.gz ALSZMVUAUSJSQY-JOCHJYFZSA-N 2 0 454.663 3.390 20 0 JGADRP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304537280 1067608798 /nfs/dbraw/zinc/60/87/98/1067608798.db2.gz NIDZHEPYHVLHRB-UHFFFAOYSA-N 2 0 484.689 3.036 20 0 JGADRP Cc1nc(Cc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cs1 ZINC001304667737 1067735853 /nfs/dbraw/zinc/73/58/53/1067735853.db2.gz GRZLRBITGUTHHF-JOCHJYFZSA-N 2 0 489.734 3.181 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001303254577 1067779586 /nfs/dbraw/zinc/77/95/86/1067779586.db2.gz BIVWNUBOJPKVTN-JOCHJYFZSA-N 2 0 473.710 3.335 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303261840 1067788901 /nfs/dbraw/zinc/78/89/01/1067788901.db2.gz YTQMNWYIIQEKKL-UHFFFAOYSA-N 2 0 466.472 3.307 20 0 JGADRP CC(C)[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001303276968 1067804694 /nfs/dbraw/zinc/80/46/94/1067804694.db2.gz PWCNCVVKYLTSHG-OAQYLSRUSA-N 2 0 489.659 3.092 20 0 JGADRP CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)C ZINC001303291664 1067816679 /nfs/dbraw/zinc/81/66/79/1067816679.db2.gz UJUMFDKAQOOLDS-QFIPXVFZSA-N 2 0 456.683 3.500 20 0 JGADRP CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)C(C)C ZINC001303292995 1067819187 /nfs/dbraw/zinc/81/91/87/1067819187.db2.gz XWTXMFWIAJYNSB-UHFFFAOYSA-N 2 0 482.677 3.499 20 0 JGADRP CC(C)[NH+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCSCC1)C(C)C ZINC001303298026 1067822039 /nfs/dbraw/zinc/82/20/39/1067822039.db2.gz ZWHBNGFPTVPSNV-UHFFFAOYSA-N 2 0 485.746 3.315 20 0 JGADRP CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001303298399 1067823011 /nfs/dbraw/zinc/82/30/11/1067823011.db2.gz SPXHDIJPNMPEFN-QFIPXVFZSA-N 2 0 459.727 3.346 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304753398 1067834357 /nfs/dbraw/zinc/83/43/57/1067834357.db2.gz CNIYEHNBNJMUGF-UHFFFAOYSA-N 2 0 456.683 3.182 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001303311593 1067840674 /nfs/dbraw/zinc/84/06/74/1067840674.db2.gz DGGWXZBAEZLVGK-UHFFFAOYSA-N 2 0 465.646 3.193 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303311960 1067841479 /nfs/dbraw/zinc/84/14/79/1067841479.db2.gz SDINGSMQBNWIJP-OAQYLSRUSA-N 2 0 491.478 3.085 20 0 JGADRP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001303316542 1067843472 /nfs/dbraw/zinc/84/34/72/1067843472.db2.gz CZUMTTIEAXRLMT-HSZRJFAPSA-N 2 0 459.727 3.445 20 0 JGADRP CC(C)[NH+](CCn1c(CC2CC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001303318520 1067849606 /nfs/dbraw/zinc/84/96/06/1067849606.db2.gz TZFUYAWGXFEQCR-UHFFFAOYSA-N 2 0 459.727 3.344 20 0 JGADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCCCC3)C2)CC1 ZINC001303318412 1067849764 /nfs/dbraw/zinc/84/97/64/1067849764.db2.gz QYOLAIMFMGEYPQ-QHCPKHFHSA-N 2 0 459.727 3.347 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304765283 1067854925 /nfs/dbraw/zinc/85/49/25/1067854925.db2.gz XDVJEQJNTGSPPQ-HSZRJFAPSA-N 2 0 456.683 3.323 20 0 JGADRP Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCC[NH+](C)CCCNC(=O)OC(C)(C)C ZINC001304855712 1067906119 /nfs/dbraw/zinc/90/61/19/1067906119.db2.gz GNDSCUFOFUERMG-HXUWFJFHSA-N 2 0 477.698 3.134 20 0 JGADRP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001304859029 1067909182 /nfs/dbraw/zinc/90/91/82/1067909182.db2.gz GPVUSHFZXNDBKW-FQEVSTJZSA-N 2 0 460.589 3.188 20 0 JGADRP Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001304860070 1067910017 /nfs/dbraw/zinc/91/00/17/1067910017.db2.gz LTCMHCRGSPQONF-UHFFFAOYSA-N 2 0 454.663 3.472 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001303405292 1067933734 /nfs/dbraw/zinc/93/37/34/1067933734.db2.gz OPYUFAMFNIWHTF-QFIPXVFZSA-N 2 0 481.689 3.392 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303410607 1067936989 /nfs/dbraw/zinc/93/69/89/1067936989.db2.gz VXDBHKOVGSOAGR-UHFFFAOYSA-N 2 0 461.699 3.097 20 0 JGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(N3CC[NH+](C[C@@H]4CCOC4)CC3)nnc2C(C)(C)C)C1 ZINC001304910810 1067954122 /nfs/dbraw/zinc/95/41/22/1067954122.db2.gz IZASEUSJXVARHQ-VSKRKVRLSA-N 2 0 460.711 3.491 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001304913270 1067957517 /nfs/dbraw/zinc/95/75/17/1067957517.db2.gz VVJSMZWCOWJXHT-PMACEKPBSA-N 2 0 454.667 3.458 20 0 JGADRP CC(C)[N@H+](C)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001304916143 1067959738 /nfs/dbraw/zinc/95/97/38/1067959738.db2.gz DTQFJRJUIWZTRO-PSWAGMNNSA-N 2 0 467.706 3.465 20 0 JGADRP C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001304923671 1067965531 /nfs/dbraw/zinc/96/55/31/1067965531.db2.gz FGTLREBZHXNQTM-SFTDATJTSA-N 2 0 454.667 3.414 20 0 JGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001304924610 1067967733 /nfs/dbraw/zinc/96/77/33/1067967733.db2.gz IRXZMVULZWPSIP-SZPZYZBQSA-N 2 0 473.710 3.193 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001304925156 1067968136 /nfs/dbraw/zinc/96/81/36/1067968136.db2.gz LCHGAZLTOXQZHY-GOTSBHOMSA-N 2 0 487.737 3.439 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001303462648 1067981883 /nfs/dbraw/zinc/98/18/83/1067981883.db2.gz HLHIQTIFPCYHRH-QFIPXVFZSA-N 2 0 488.080 3.169 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001303465463 1067984805 /nfs/dbraw/zinc/98/48/05/1067984805.db2.gz QAOKOLRXGKINHF-JOCHJYFZSA-N 2 0 452.582 3.144 20 0 JGADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001304965182 1068007210 /nfs/dbraw/zinc/00/72/10/1068007210.db2.gz IMFCLLPAFUPERZ-ZRZAMGCNSA-N 2 0 459.727 3.347 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304979164 1068017522 /nfs/dbraw/zinc/01/75/22/1068017522.db2.gz LSESFWWZVHZENW-XZZNXKJUSA-N 2 0 487.737 3.485 20 0 JGADRP C[C@H]1CCC[C@](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC001304982387 1068023561 /nfs/dbraw/zinc/02/35/61/1068023561.db2.gz AHHSFMWPHBMMAK-CUNXSJBXSA-N 2 0 487.737 3.122 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001304989155 1068031358 /nfs/dbraw/zinc/03/13/58/1068031358.db2.gz RBTQVJHMQBSXRW-OFVILXPXSA-N 2 0 457.667 3.331 20 0 JGADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)C1 ZINC001305014297 1068055467 /nfs/dbraw/zinc/05/54/67/1068055467.db2.gz QMTYQPXOZJVICB-FCHUYYIVSA-N 2 0 455.651 3.009 20 0 JGADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)C1 ZINC001305014300 1068055789 /nfs/dbraw/zinc/05/57/89/1068055789.db2.gz QMTYQPXOZJVICB-YADHBBJMSA-N 2 0 455.651 3.009 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001305024396 1068078346 /nfs/dbraw/zinc/07/83/46/1068078346.db2.gz YVUCPELJTZGXRK-RBBKRZOGSA-N 2 0 473.710 3.296 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025975 1068081416 /nfs/dbraw/zinc/08/14/16/1068081416.db2.gz VFKYGFWFVAPHRA-CQOQZXRMSA-N 2 0 454.663 3.378 20 0 JGADRP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1CCC[C@H](C)C1 ZINC001305026931 1068083099 /nfs/dbraw/zinc/08/30/99/1068083099.db2.gz SCWSMLGNLCMERM-VXKWHMMOSA-N 2 0 470.710 3.433 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCCC2)CC1 ZINC001303569525 1068091954 /nfs/dbraw/zinc/09/19/54/1068091954.db2.gz BGTXYTAOPQGSAT-UHFFFAOYSA-N 2 0 462.042 3.026 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001305053625 1068117515 /nfs/dbraw/zinc/11/75/15/1068117515.db2.gz ZDVOTTAAKJLSJT-NRFANRHFSA-N 2 0 488.702 3.001 20 0 JGADRP C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001305060863 1068125707 /nfs/dbraw/zinc/12/57/07/1068125707.db2.gz BGVHEORQQKSFNQ-OAQYLSRUSA-N 2 0 454.667 3.414 20 0 JGADRP C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC001305096213 1068163380 /nfs/dbraw/zinc/16/33/80/1068163380.db2.gz SAKPLGKCJURBKD-XPWALMASSA-N 2 0 453.679 3.075 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001305109715 1068180016 /nfs/dbraw/zinc/18/00/16/1068180016.db2.gz SVVXCCFLKVFFNG-RPWUZVMVSA-N 2 0 487.737 3.485 20 0 JGADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC001305111421 1068182917 /nfs/dbraw/zinc/18/29/17/1068182917.db2.gz CGUNWHUXDTWYFU-ZRBLBEILSA-N 2 0 489.753 3.068 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305113706 1068190553 /nfs/dbraw/zinc/19/05/53/1068190553.db2.gz VZTIVRRPUAFMTM-VXKWHMMOSA-N 2 0 469.678 3.072 20 0 JGADRP CC1CC[NH+](CCn2c(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001305114957 1068193369 /nfs/dbraw/zinc/19/33/69/1068193369.db2.gz VHTWYCXYGHTNRC-QHCPKHFHSA-N 2 0 454.663 3.163 20 0 JGADRP C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303662533 1068193402 /nfs/dbraw/zinc/19/34/02/1068193402.db2.gz GPKXWUPNSKKJPE-NRFANRHFSA-N 2 0 459.683 3.089 20 0 JGADRP C[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303663789 1068195588 /nfs/dbraw/zinc/19/55/88/1068195588.db2.gz FYLMLHIVUDLEBB-RTWAWAEBSA-N 2 0 459.683 3.052 20 0 JGADRP C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC001303695885 1068239607 /nfs/dbraw/zinc/23/96/07/1068239607.db2.gz WVVYAUDHHYJDLN-QRVBRYPASA-N 2 0 476.069 3.269 20 0 JGADRP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC001303705946 1068249973 /nfs/dbraw/zinc/24/99/73/1068249973.db2.gz PUPQMGFBIBDNLH-MIZPHKNDSA-N 2 0 450.635 3.118 20 0 JGADRP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+](C)C1CC1 ZINC001303726448 1068278679 /nfs/dbraw/zinc/27/86/79/1068278679.db2.gz DLPSHEWPDIIYRT-BDTNDASRSA-N 2 0 459.727 3.344 20 0 JGADRP C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001303734211 1068290655 /nfs/dbraw/zinc/29/06/55/1068290655.db2.gz DSJIGDSMAYPUEE-RZUBCFFCSA-N 2 0 493.622 3.228 20 0 JGADRP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC001303736664 1068295258 /nfs/dbraw/zinc/29/52/58/1068295258.db2.gz NBWUZEFSEBJGIZ-NJYVYQBISA-N 2 0 487.718 3.311 20 0 JGADRP C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001303737352 1068295833 /nfs/dbraw/zinc/29/58/33/1068295833.db2.gz FUEDYFOGQGLKSH-BURNTYAHSA-N 2 0 475.682 3.064 20 0 JGADRP C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001303737353 1068295849 /nfs/dbraw/zinc/29/58/49/1068295849.db2.gz FUEDYFOGQGLKSH-CGXNFDGLSA-N 2 0 475.682 3.064 20 0 JGADRP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001303738134 1068297185 /nfs/dbraw/zinc/29/71/85/1068297185.db2.gz VRRKRSNXNJLJHU-GOSISDBHSA-N 2 0 473.691 3.063 20 0 JGADRP C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC001303743000 1068301535 /nfs/dbraw/zinc/30/15/35/1068301535.db2.gz KMPJQTJQJMNHQU-QLBJFCOMSA-N 2 0 497.732 3.405 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001303744161 1068304041 /nfs/dbraw/zinc/30/40/41/1068304041.db2.gz AWVLKZAQXZVQFP-KRWDZBQOSA-N 2 0 464.456 3.298 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303752813 1068314197 /nfs/dbraw/zinc/31/41/97/1068314197.db2.gz UDBJGQJIRLQULW-BKMJKUGQSA-N 2 0 476.710 3.361 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001305204042 1068327903 /nfs/dbraw/zinc/32/79/03/1068327903.db2.gz MRLJSIZLRWVSCO-DEOSSOPVSA-N 2 0 497.732 3.377 20 0 JGADRP C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC001305210179 1068339308 /nfs/dbraw/zinc/33/93/08/1068339308.db2.gz PLIUWGKBJYKHNX-LJQANCHMSA-N 2 0 487.718 3.168 20 0 JGADRP C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC001303895885 1068534378 /nfs/dbraw/zinc/53/43/78/1068534378.db2.gz TZYKYLWSONMSQK-PMACEKPBSA-N 2 0 474.625 3.056 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303926921 1068585850 /nfs/dbraw/zinc/58/58/50/1068585850.db2.gz QQTQSNQBLZSDBA-OAQYLSRUSA-N 2 0 488.652 3.323 20 0 JGADRP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305399817 1068641975 /nfs/dbraw/zinc/64/19/75/1068641975.db2.gz SWYLBNCFLWBHLJ-BKMJKUGQSA-N 2 0 485.746 3.487 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305459841 1068702221 /nfs/dbraw/zinc/70/22/21/1068702221.db2.gz SVQRGJJHPLVGLO-FDFHNCONSA-N 2 0 457.667 3.292 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538442 1068803164 /nfs/dbraw/zinc/80/31/64/1068803164.db2.gz WRQYWTKCRLHFDM-NHCUHLMSSA-N 2 0 476.710 3.371 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001305603147 1068866969 /nfs/dbraw/zinc/86/69/69/1068866969.db2.gz IHWQNFVAIUCDSJ-HXUWFJFHSA-N 2 0 468.650 3.110 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305609208 1068881089 /nfs/dbraw/zinc/88/10/89/1068881089.db2.gz SAEYSRSRYHONGA-ISKFKSNPSA-N 2 0 483.705 3.289 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001305622455 1068911071 /nfs/dbraw/zinc/91/10/71/1068911071.db2.gz RGTIPWGPMOLLQB-WOJBJXKFSA-N 2 0 473.691 3.065 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001305673186 1069022877 /nfs/dbraw/zinc/02/28/77/1069022877.db2.gz QXOJNQZQAQWJCY-GPXOXTDOSA-N 2 0 495.716 3.293 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001305673189 1069022963 /nfs/dbraw/zinc/02/29/63/1069022963.db2.gz QXOJNQZQAQWJCY-QLBJFCOMSA-N 2 0 495.716 3.293 20 0 JGADRP CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001305704566 1069091463 /nfs/dbraw/zinc/09/14/63/1069091463.db2.gz FHLDQDPNZYFBSF-QPPBQGQZSA-N 2 0 471.694 3.199 20 0 JGADRP CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001305710902 1069108847 /nfs/dbraw/zinc/10/88/47/1069108847.db2.gz XQPGCLYEYYJPGJ-LOSJGSFVSA-N 2 0 495.716 3.363 20 0 JGADRP CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)[NH+](C)C ZINC001305714230 1069117137 /nfs/dbraw/zinc/11/71/37/1069117137.db2.gz ZWPNSGHSPHVCAF-FCHUYYIVSA-N 2 0 459.683 3.050 20 0 JGADRP CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305715626 1069121059 /nfs/dbraw/zinc/12/10/59/1069121059.db2.gz NGGKDAQJIZIHKH-ACIOBRDBSA-N 2 0 462.683 3.187 20 0 JGADRP CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CC(C)C)CC1)[NH+]1CCOCC1 ZINC001305717112 1069124303 /nfs/dbraw/zinc/12/43/03/1069124303.db2.gz XMVNXCKATIASMM-XZOQPEGZSA-N 2 0 462.683 3.045 20 0 JGADRP CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CC(C)C)CC1)[NH+]1CCOCC1 ZINC001305717109 1069124318 /nfs/dbraw/zinc/12/43/18/1069124318.db2.gz XMVNXCKATIASMM-DHIUTWEWSA-N 2 0 462.683 3.045 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001305736659 1069159131 /nfs/dbraw/zinc/15/91/31/1069159131.db2.gz AXXFISWTOBPCJF-BDTNDASRSA-N 2 0 475.726 3.483 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[NH+](CC)C[C@@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001305738040 1069161499 /nfs/dbraw/zinc/16/14/99/1069161499.db2.gz KUVIAELVUGXLKO-UXHICEINSA-N 2 0 461.699 3.380 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744089 1069182527 /nfs/dbraw/zinc/18/25/27/1069182527.db2.gz ZTSHTHPOKHEVMM-NHCUHLMSSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744092 1069182567 /nfs/dbraw/zinc/18/25/67/1069182567.db2.gz ZTSHTHPOKHEVMM-RTWAWAEBSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001305778280 1069265736 /nfs/dbraw/zinc/26/57/36/1069265736.db2.gz ANKLXJGBUJQXGR-QHCPKHFHSA-N 2 0 499.704 3.429 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001305785749 1069287592 /nfs/dbraw/zinc/28/75/92/1069287592.db2.gz KJTRFMCQBVLOCL-OAQYLSRUSA-N 2 0 461.699 3.095 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001305785894 1069288600 /nfs/dbraw/zinc/28/86/00/1069288600.db2.gz OAALQLZKRBAKEI-UHFFFAOYSA-N 2 0 496.704 3.286 20 0 JGADRP Clc1ncc2c(c1N1CC[C@@H]3[NH2+]CCO[C@@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164388350 718824021 /nfs/dbraw/zinc/82/40/21/718824021.db2.gz AVWRCPJKJMSGQF-FCHUYYIVSA-N 2 0 455.002 3.324 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164417986 718892556 /nfs/dbraw/zinc/89/25/56/718892556.db2.gz MJVHEYIMVOPXBD-WMZHIEFXSA-N 2 0 457.663 3.239 20 0 JGADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(-n4ccnc4)cc[nH+]3)CC2)c2ccccc21 ZINC001164683336 719680108 /nfs/dbraw/zinc/68/01/08/719680108.db2.gz RNPXNEBXJWJNPC-NRFANRHFSA-N 2 0 458.610 3.361 20 0 JGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164713854 720156809 /nfs/dbraw/zinc/15/68/09/720156809.db2.gz MCGSUWCNFKLFMX-DEOSSOPVSA-N 2 0 465.642 3.363 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164729291 720415898 /nfs/dbraw/zinc/41/58/98/720415898.db2.gz GQPCXUIEVLGNNV-SDUSCBPUSA-N 2 0 492.668 3.129 20 0 JGADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747228 720867262 /nfs/dbraw/zinc/86/72/62/720867262.db2.gz ATIPPAMBYQUZHV-BVAGGSTKSA-N 2 0 450.631 3.391 20 0 JGADRP CCc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164905577 721713648 /nfs/dbraw/zinc/71/36/48/721713648.db2.gz HROQZKPRYCNISZ-QHCPKHFHSA-N 2 0 458.557 3.008 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(c4nc(-c5ccc(S(C)(=O)=O)cc5)no4)CC3)c2)CC1 ZINC001165033233 721876882 /nfs/dbraw/zinc/87/68/82/721876882.db2.gz NUGQHZOXDOPQOH-UHFFFAOYSA-N 2 0 497.621 3.392 20 0 JGADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC3)C2)cc1 ZINC001164939048 721932475 /nfs/dbraw/zinc/93/24/75/721932475.db2.gz HXCJOVANPVBCEB-UHFFFAOYSA-N 2 0 451.615 3.035 20 0 JGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950681 721991589 /nfs/dbraw/zinc/99/15/89/721991589.db2.gz JSEVEXFZRCPSBJ-KIFXHHALSA-N 2 0 462.660 3.228 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2)CC1 ZINC001164966032 722061464 /nfs/dbraw/zinc/06/14/64/722061464.db2.gz NQCSLCXWAZCJEJ-UHFFFAOYSA-N 3 0 451.615 3.069 20 0 JGADRP Cc1nc(CN2CCO[C@H]3CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164991735 722186316 /nfs/dbraw/zinc/18/63/16/722186316.db2.gz UPAHVSWPZLVOBG-PKTZIBPZSA-N 2 0 457.644 3.189 20 0 JGADRP CC(C)NC(=O)c1ccc2c(c1)C1(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC1)C(=O)N2 ZINC001164992087 722187938 /nfs/dbraw/zinc/18/79/38/722187938.db2.gz VIAFFXOCJSCQAG-UHFFFAOYSA-N 2 0 477.609 3.183 20 0 JGADRP CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001305920511 1069475794 /nfs/dbraw/zinc/47/57/94/1069475794.db2.gz SGVYRSSJRPIJDW-DEOSSOPVSA-N 2 0 454.663 3.254 20 0 JGADRP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001299907680 1065149930 /nfs/dbraw/zinc/14/99/30/1065149930.db2.gz KQLUXPULSDDSQE-UHFFFAOYSA-N 2 0 491.080 3.374 20 0 JGADRP COc1cc(OC)cc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001299953509 1065233938 /nfs/dbraw/zinc/23/39/38/1065233938.db2.gz ZDRHVQFANHOPSW-HSZRJFAPSA-N 2 0 456.635 3.081 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492267193 1065362926 /nfs/dbraw/zinc/36/29/26/1065362926.db2.gz PQSMFDRGYKJSGG-GHTZIAJQSA-N 2 0 467.662 3.408 20 0 JGADRP Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCOCC[NH+](C)C)cc1 ZINC001492454716 1065505618 /nfs/dbraw/zinc/50/56/18/1065505618.db2.gz ZAKKDWQVANNCKQ-SFTDATJTSA-N 2 0 458.676 3.130 20 0 JGADRP CO[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)CC1(C)C ZINC001300840885 1065579131 /nfs/dbraw/zinc/57/91/31/1065579131.db2.gz MPZWENGATFGRCK-DEOSSOPVSA-N 2 0 497.732 3.092 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302026039 1066385879 /nfs/dbraw/zinc/38/58/79/1066385879.db2.gz VWQHQKPFPQTIQY-YADHBBJMSA-N 2 0 462.683 3.189 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302030866 1066396004 /nfs/dbraw/zinc/39/60/04/1066396004.db2.gz YUYNKPJHCXERLW-TZIWHRDSSA-N 2 0 450.672 3.089 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302065903 1066465553 /nfs/dbraw/zinc/46/55/53/1066465553.db2.gz AALNLGMPALIRRI-FCHUYYIVSA-N 2 0 464.699 3.433 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302067723 1066470127 /nfs/dbraw/zinc/47/01/27/1066470127.db2.gz JPSLAQBEJRQCLX-NRFANRHFSA-N 2 0 450.672 3.187 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302078691 1066492113 /nfs/dbraw/zinc/49/21/13/1066492113.db2.gz LRRWTRLAQKCEGK-LEWJYISDSA-N 2 0 450.672 3.045 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302091646 1066519172 /nfs/dbraw/zinc/51/91/72/1066519172.db2.gz FWSIJLAIHWBZKG-BHDDXSALSA-N 2 0 462.683 3.187 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302092750 1066520704 /nfs/dbraw/zinc/52/07/04/1066520704.db2.gz JRZULZQUGQIGDG-VXKWHMMOSA-N 2 0 462.683 3.187 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302093890 1066521882 /nfs/dbraw/zinc/52/18/82/1066521882.db2.gz XRGIEVMEKLHTEK-VJBWXMMDSA-N 2 0 462.683 3.045 20 0 JGADRP COCC[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001301718022 1066619889 /nfs/dbraw/zinc/61/98/89/1066619889.db2.gz ZDUXSSNAZMNHRJ-HXUWFJFHSA-N 2 0 491.080 3.256 20 0 JGADRP COCC[N@H+](C)CCCn1c(-c2cccc3cccnc32)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001301717973 1066619965 /nfs/dbraw/zinc/61/99/65/1066619965.db2.gz XWUGXKUHIVYEJT-UHFFFAOYSA-N 2 0 465.646 3.382 20 0 JGADRP COCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001301731018 1066650699 /nfs/dbraw/zinc/65/06/99/1066650699.db2.gz IWDBYMYSCNTNAE-XZOQPEGZSA-N 2 0 462.683 3.190 20 0 JGADRP COCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001301732082 1066651307 /nfs/dbraw/zinc/65/13/07/1066651307.db2.gz QNSAFVHATKYELZ-QHCPKHFHSA-N 2 0 462.683 3.190 20 0 JGADRP COCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001301732081 1066651348 /nfs/dbraw/zinc/65/13/48/1066651348.db2.gz QNSAFVHATKYELZ-HSZRJFAPSA-N 2 0 462.683 3.190 20 0 JGADRP COCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301733727 1066654601 /nfs/dbraw/zinc/65/46/01/1066654601.db2.gz IIERMCJCASXSMI-UHFFFAOYSA-N 2 0 464.605 3.036 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)n1CC[N@H+](C)C(C)C ZINC001302282582 1066852189 /nfs/dbraw/zinc/85/21/89/1066852189.db2.gz FBQPNGVOOCQUFJ-HVCNVCAESA-N 2 0 484.689 3.443 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302303761 1066890791 /nfs/dbraw/zinc/89/07/91/1066890791.db2.gz LFYAWPKZLVCOPP-VJBWXMMDSA-N 2 0 462.683 3.043 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301885311 1066894316 /nfs/dbraw/zinc/89/43/16/1066894316.db2.gz IPERQWAEFWWQQU-OAQYLSRUSA-N 2 0 470.662 3.233 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CC[N@H+](C)C(C)C ZINC001302311905 1066906319 /nfs/dbraw/zinc/90/63/19/1066906319.db2.gz OJJVRIALERLREY-NHTMILBNSA-N 2 0 470.662 3.053 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001301889471 1066907708 /nfs/dbraw/zinc/90/77/08/1066907708.db2.gz ZNAAOTMOEGIBNK-YLJYHZDGSA-N 2 0 458.632 3.368 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001301891589 1066912208 /nfs/dbraw/zinc/91/22/08/1066912208.db2.gz RCENAPZOVMXSFE-OAQYLSRUSA-N 2 0 470.662 3.375 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001301892972 1066914187 /nfs/dbraw/zinc/91/41/87/1066914187.db2.gz XZOTWXIHWZKCQA-GOTSBHOMSA-N 2 0 454.663 3.470 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001301893055 1066914381 /nfs/dbraw/zinc/91/43/81/1066914381.db2.gz ZVTCPYMBDBOWMK-CTNGQTDRSA-N 2 0 454.644 3.466 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1C ZINC001301900105 1066924532 /nfs/dbraw/zinc/92/45/32/1066924532.db2.gz XBDMIUOTFOXQMM-GCJKJVERSA-N 2 0 472.037 3.386 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@@H]1C ZINC001301909986 1066934020 /nfs/dbraw/zinc/93/40/20/1066934020.db2.gz AYXIIOZNIPVQBE-UPVQGACJSA-N 2 0 476.710 3.435 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913050 1066940797 /nfs/dbraw/zinc/94/07/97/1066940797.db2.gz SJLOIZQBSRQENT-ILBGXUMGSA-N 2 0 498.716 3.315 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913053 1066940999 /nfs/dbraw/zinc/94/09/99/1066940999.db2.gz SJLOIZQBSRQENT-UKILVPOCSA-N 2 0 498.716 3.315 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301918296 1066947895 /nfs/dbraw/zinc/94/78/95/1066947895.db2.gz HBDBXWKMPYGEJY-DHLKQENFSA-N 2 0 477.657 3.032 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301918298 1066948338 /nfs/dbraw/zinc/94/83/38/1066948338.db2.gz HBDBXWKMPYGEJY-RDGATRHJSA-N 2 0 477.657 3.032 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001301918771 1066949792 /nfs/dbraw/zinc/94/97/92/1066949792.db2.gz COFSZEDUYIPWPX-QHCPKHFHSA-N 2 0 454.663 3.210 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301919170 1066950835 /nfs/dbraw/zinc/95/08/35/1066950835.db2.gz FROPLTCNHLXBAT-NRFANRHFSA-N 2 0 472.653 3.287 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301919171 1066950912 /nfs/dbraw/zinc/95/09/12/1066950912.db2.gz FROPLTCNHLXBAT-OAQYLSRUSA-N 2 0 472.653 3.287 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301921254 1066954563 /nfs/dbraw/zinc/95/45/63/1066954563.db2.gz RXUBCMMHMSCKPV-YADHBBJMSA-N 2 0 472.653 3.287 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926999 1066960665 /nfs/dbraw/zinc/96/06/65/1066960665.db2.gz RSHFHUFUBQVVCC-UPVQGACJSA-N 2 0 484.689 3.177 20 0 JGADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C[C@H]1C[NH+](C)C ZINC001302402948 1066983050 /nfs/dbraw/zinc/98/30/50/1066983050.db2.gz DLEWVOKKLKXVIW-IAGOWNOFSA-N 2 0 465.461 3.313 20 0 JGADRP COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001302403818 1066984846 /nfs/dbraw/zinc/98/48/46/1066984846.db2.gz QCEMBRNPOBKJIT-NHCUHLMSSA-N 2 0 461.610 3.359 20 0 JGADRP Cc1cc(C)cc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001304183591 1067234354 /nfs/dbraw/zinc/23/43/54/1067234354.db2.gz ZDMLQONCZNZCRD-UHFFFAOYSA-N 2 0 470.662 3.115 20 0 JGADRP Cc1cc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2n1 ZINC001304195643 1067245540 /nfs/dbraw/zinc/24/55/40/1067245540.db2.gz FTGKTIMEXYCGIH-OAQYLSRUSA-N 2 0 465.646 3.299 20 0 JGADRP CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302614145 1067247828 /nfs/dbraw/zinc/24/78/28/1067247828.db2.gz IHKUNQYWMUHPEA-UHFFFAOYSA-N 2 0 473.710 3.096 20 0 JGADRP CSC1(Cn2c(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302632328 1067261033 /nfs/dbraw/zinc/26/10/33/1067261033.db2.gz BRZKELJOWWPEDY-UHFFFAOYSA-N 2 0 491.794 3.398 20 0 JGADRP Cc1ccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CCOC(C)C)CC2)[NH+](C)C)cc1 ZINC001304271855 1067307666 /nfs/dbraw/zinc/30/76/66/1067307666.db2.gz DIXKPKCZDBCSOC-XMMPIXPASA-N 2 0 465.646 3.432 20 0 JGADRP CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001302689671 1067314055 /nfs/dbraw/zinc/31/40/55/1067314055.db2.gz OWDDLTGRPFBFMY-JOCHJYFZSA-N 2 0 484.689 3.274 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001302697670 1067322977 /nfs/dbraw/zinc/32/29/77/1067322977.db2.gz FHTZFVOWFGURDF-UHFFFAOYSA-N 2 0 460.589 3.367 20 0 JGADRP Cc1ccc(-c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304313866 1067360812 /nfs/dbraw/zinc/36/08/12/1067360812.db2.gz BBTKSZUUJKGLIF-NRFANRHFSA-N 2 0 457.667 3.039 20 0 JGADRP CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+](C)C ZINC001302813543 1067400772 /nfs/dbraw/zinc/40/07/72/1067400772.db2.gz YUDGTFVGSUJFJX-ZRBLBEILSA-N 2 0 470.710 3.244 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C4CCCC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304385671 1067438477 /nfs/dbraw/zinc/43/84/77/1067438477.db2.gz ZSCRCOGUVFHAOP-HXUWFJFHSA-N 2 0 453.635 3.162 20 0 JGADRP CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)cc2F)CC1 ZINC001302857935 1067441037 /nfs/dbraw/zinc/44/10/37/1067441037.db2.gz XPUOLFFJJLZVKG-UHFFFAOYSA-N 2 0 454.590 3.424 20 0 JGADRP CC(C)Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001302870116 1067449895 /nfs/dbraw/zinc/44/98/95/1067449895.db2.gz XZQMQUNOLCYRCN-TZIWHRDSSA-N 2 0 495.594 3.240 20 0 JGADRP CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001302899326 1067481560 /nfs/dbraw/zinc/48/15/60/1067481560.db2.gz HSMFPQFAIIMPMI-DEOSSOPVSA-N 2 0 459.727 3.203 20 0 JGADRP CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001302899354 1067481633 /nfs/dbraw/zinc/48/16/33/1067481633.db2.gz IPGNPVGNFUJUES-RUZDIDTESA-N 2 0 485.696 3.352 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304419695 1067494541 /nfs/dbraw/zinc/49/45/41/1067494541.db2.gz OZCTUHRLENYULG-VWLOTQADSA-N 2 0 484.689 3.300 20 0 JGADRP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001302937057 1067510216 /nfs/dbraw/zinc/51/02/16/1067510216.db2.gz HWZQOUPRTJVGKQ-NRFANRHFSA-N 2 0 470.691 3.287 20 0 JGADRP CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302957853 1067529332 /nfs/dbraw/zinc/52/93/32/1067529332.db2.gz VPZVXKMVMHJYQA-QFIPXVFZSA-N 2 0 459.727 3.061 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001302961109 1067532179 /nfs/dbraw/zinc/53/21/79/1067532179.db2.gz INCPEWIALRHVRB-LADGPHEKSA-N 2 0 454.663 3.034 20 0 JGADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001304478633 1067557618 /nfs/dbraw/zinc/55/76/18/1067557618.db2.gz DJGZUUVHZPAEHU-XMMPIXPASA-N 2 0 457.692 3.396 20 0 JGADRP Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC001304495460 1067571719 /nfs/dbraw/zinc/57/17/19/1067571719.db2.gz IFSUAGAVEKGCNT-DNQXCXABSA-N 2 0 495.716 3.415 20 0 JGADRP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304536668 1067607447 /nfs/dbraw/zinc/60/74/47/1067607447.db2.gz CRMVTXAPUVAMIF-ZEQRLZLVSA-N 2 0 484.689 3.300 20 0 JGADRP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304536604 1067607500 /nfs/dbraw/zinc/60/75/00/1067607500.db2.gz CRMVTXAPUVAMIF-DNQXCXABSA-N 2 0 484.689 3.300 20 0 JGADRP CC(C)CC[NH+]1CCC(Cn2c(-c3cnccn3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001303090562 1067627098 /nfs/dbraw/zinc/62/70/98/1067627098.db2.gz XLBRVSWUUJBPQK-UHFFFAOYSA-N 2 0 454.667 3.414 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304558671 1067627561 /nfs/dbraw/zinc/62/75/61/1067627561.db2.gz BSIQDESHZXMDHM-RUZDIDTESA-N 2 0 456.704 3.393 20 0 JGADRP Cc1ccccc1C[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304569783 1067637384 /nfs/dbraw/zinc/63/73/84/1067637384.db2.gz BVAOZQGFNKVTNV-QHCPKHFHSA-N 2 0 454.663 3.391 20 0 JGADRP Cc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCC[NH+]2CCOCC2)CC1 ZINC001304569791 1067637396 /nfs/dbraw/zinc/63/73/96/1067637396.db2.gz CGRZLBLSRMCNQF-UHFFFAOYSA-N 2 0 454.663 3.319 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001303195450 1067728406 /nfs/dbraw/zinc/72/84/06/1067728406.db2.gz FXQHYWYNMIHUFP-DHIUTWEWSA-N 2 0 453.679 3.410 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303197587 1067732247 /nfs/dbraw/zinc/73/22/47/1067732247.db2.gz RJLUNJRCCYYWBC-UHFFFAOYSA-N 2 0 472.653 3.021 20 0 JGADRP Cc1nc(Cc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC001304667920 1067736288 /nfs/dbraw/zinc/73/62/88/1067736288.db2.gz LINNQYLUEXSQID-HXUWFJFHSA-N 2 0 489.734 3.445 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001303200613 1067736510 /nfs/dbraw/zinc/73/65/10/1067736510.db2.gz CWNVSCIFDRTGQY-ZEQRLZLVSA-N 2 0 454.663 3.469 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001303206996 1067745079 /nfs/dbraw/zinc/74/50/79/1067745079.db2.gz XTMLAOFMNJCILY-NRFANRHFSA-N 2 0 455.651 3.008 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001303261624 1067788204 /nfs/dbraw/zinc/78/82/04/1067788204.db2.gz PPFKDYSPNSYPMP-FUHWJXTLSA-N 2 0 464.456 3.439 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001303268345 1067796228 /nfs/dbraw/zinc/79/62/28/1067796228.db2.gz GCIFGSHPXSJFNN-WBVHZDCISA-N 2 0 450.429 3.049 20 0 JGADRP CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001303298398 1067823107 /nfs/dbraw/zinc/82/31/07/1067823107.db2.gz SPXHDIJPNMPEFN-JOCHJYFZSA-N 2 0 459.727 3.346 20 0 JGADRP CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC001303298560 1067823473 /nfs/dbraw/zinc/82/34/73/1067823473.db2.gz MDJMGFZJJXASIV-HSZRJFAPSA-N 2 0 467.662 3.060 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001303308281 1067836428 /nfs/dbraw/zinc/83/64/28/1067836428.db2.gz VDKRCDKAQUYPFA-UHFFFAOYSA-N 2 0 462.042 3.025 20 0 JGADRP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303317930 1067847701 /nfs/dbraw/zinc/84/77/01/1067847701.db2.gz FQLSZEOCOOHOMP-JOCHJYFZSA-N 2 0 473.735 3.123 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC[NH+](C)C(C)C ZINC001303329216 1067857360 /nfs/dbraw/zinc/85/73/60/1067857360.db2.gz YBYXVDLSWFGUDC-GGAORHGYSA-N 2 0 469.678 3.246 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001303366193 1067894191 /nfs/dbraw/zinc/89/41/91/1067894191.db2.gz JYUDKLQNTHYZMX-QHCPKHFHSA-N 2 0 469.678 3.276 20 0 JGADRP Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304855639 1067906248 /nfs/dbraw/zinc/90/62/48/1067906248.db2.gz FUOFVEWUFIMDBI-ZRZAMGCNSA-N 2 0 459.727 3.339 20 0 JGADRP Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304857966 1067907655 /nfs/dbraw/zinc/90/76/55/1067907655.db2.gz DQCDXVMHXZRGNN-ZFGGDYGUSA-N 2 0 454.663 3.199 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001303396363 1067923347 /nfs/dbraw/zinc/92/33/47/1067923347.db2.gz BEYPBZAFLVQCCO-UHFFFAOYSA-N 2 0 487.718 3.311 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001303402723 1067931259 /nfs/dbraw/zinc/93/12/59/1067931259.db2.gz MLHYZHZQTLGKRG-FPOVZHCZSA-N 2 0 487.718 3.481 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)CCOC1 ZINC001303501211 1068028746 /nfs/dbraw/zinc/02/87/46/1068028746.db2.gz GAKJBILCTXZSHF-GJZUVCINSA-N 2 0 476.710 3.360 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001304989158 1068031472 /nfs/dbraw/zinc/03/14/72/1068031472.db2.gz RBTQVJHMQBSXRW-SQJMNOBHSA-N 2 0 457.667 3.331 20 0 JGADRP C[C@@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305015477 1068058006 /nfs/dbraw/zinc/05/80/06/1068058006.db2.gz JQMPQBXCQOOZDA-RTWAWAEBSA-N 2 0 459.683 3.052 20 0 JGADRP C[C@H]1CCCC[N@@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305019705 1068066433 /nfs/dbraw/zinc/06/64/33/1068066433.db2.gz RGOQQKXWOZJZBI-FCHUYYIVSA-N 2 0 494.750 3.145 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025977 1068081717 /nfs/dbraw/zinc/08/17/17/1068081717.db2.gz VFKYGFWFVAPHRA-GPXNEJASSA-N 2 0 454.663 3.378 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028409 1068085382 /nfs/dbraw/zinc/08/53/82/1068085382.db2.gz FZIXOEGPCCONOH-UXHICEINSA-N 2 0 487.718 3.357 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)CC1 ZINC001303570075 1068092899 /nfs/dbraw/zinc/09/28/99/1068092899.db2.gz NVZTVTAXXDXZGT-UHFFFAOYSA-N 2 0 497.507 3.412 20 0 JGADRP CC(C)SCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303582271 1068105822 /nfs/dbraw/zinc/10/58/22/1068105822.db2.gz AQKAWRMGGXVNFA-UHFFFAOYSA-N 2 0 485.746 3.315 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305048735 1068107906 /nfs/dbraw/zinc/10/79/06/1068107906.db2.gz LRRYDVRAMWCRCG-BKMJKUGQSA-N 2 0 476.710 3.361 20 0 JGADRP C[C@H]1CCC[N@@H+]1CCn1c(N(C)CC[NH+]2CCN(c3ccccc3)CC2)nnc1C(C)(C)C ZINC001305061489 1068127107 /nfs/dbraw/zinc/12/71/07/1068127107.db2.gz HNOHNRSMGHZIFJ-QFIPXVFZSA-N 2 0 453.679 3.318 20 0 JGADRP C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001305096211 1068163400 /nfs/dbraw/zinc/16/34/00/1068163400.db2.gz SAKPLGKCJURBKD-DNVJHFABSA-N 2 0 453.679 3.075 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001305105861 1068173670 /nfs/dbraw/zinc/17/36/70/1068173670.db2.gz FLWAUDNNJQRQBY-XZOQPEGZSA-N 2 0 473.710 3.097 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001305109714 1068180032 /nfs/dbraw/zinc/18/00/32/1068180032.db2.gz SVVXCCFLKVFFNG-DNQXCXABSA-N 2 0 487.737 3.485 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305112385 1068186850 /nfs/dbraw/zinc/18/68/50/1068186850.db2.gz LGDUVXZCRUXVLD-SFTDATJTSA-N 2 0 488.652 3.414 20 0 JGADRP C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC001303694831 1068237916 /nfs/dbraw/zinc/23/79/16/1068237916.db2.gz GBPGSAPRZQRLHB-CQSZACIVSA-N 2 0 453.454 3.394 20 0 JGADRP C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC001303695884 1068239552 /nfs/dbraw/zinc/23/95/52/1068239552.db2.gz WVVYAUDHHYJDLN-GBESFXJTSA-N 2 0 476.069 3.269 20 0 JGADRP C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001303726331 1068278782 /nfs/dbraw/zinc/27/87/82/1068278782.db2.gz ATYIXHGWPIOIRN-QYXIYQDXSA-N 2 0 482.652 3.211 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001303752514 1068313897 /nfs/dbraw/zinc/31/38/97/1068313897.db2.gz HUPYLHMGFHHDEC-ATIYNZHBSA-N 2 0 476.710 3.408 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001303753975 1068316332 /nfs/dbraw/zinc/31/63/32/1068316332.db2.gz GBZKWMAIDCGKEY-IBGZPJMESA-N 2 0 491.478 3.206 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001305204043 1068327768 /nfs/dbraw/zinc/32/77/68/1068327768.db2.gz MRLJSIZLRWVSCO-XMMPIXPASA-N 2 0 497.732 3.377 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC001305223215 1068364097 /nfs/dbraw/zinc/36/40/97/1068364097.db2.gz SEMWSPIMPJVABG-FYYLOGMGSA-N 2 0 462.683 3.187 20 0 JGADRP C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303931670 1068589131 /nfs/dbraw/zinc/58/91/31/1068589131.db2.gz HTFDHGVDRXATEJ-FQEVSTJZSA-N 2 0 488.652 3.446 20 0 JGADRP C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303931671 1068589304 /nfs/dbraw/zinc/58/93/04/1068589304.db2.gz HTFDHGVDRXATEJ-HXUWFJFHSA-N 2 0 488.652 3.446 20 0 JGADRP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H]1CCCC[NH+]1CC ZINC001305408888 1068648205 /nfs/dbraw/zinc/64/82/05/1068648205.db2.gz AQIOCTIXQHDYTK-NEUULRRLSA-N 2 0 473.710 3.045 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540035 1068808562 /nfs/dbraw/zinc/80/85/62/1068808562.db2.gz HXGMUNVBRPBAEJ-JBRSBNLGSA-N 2 0 495.716 3.445 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305544334 1068821167 /nfs/dbraw/zinc/82/11/67/1068821167.db2.gz OWMIXMIEMRCHJB-IRLDBZIGSA-N 2 0 458.626 3.221 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001305604160 1068869487 /nfs/dbraw/zinc/86/94/87/1068869487.db2.gz MKNAHEKXBUDHLM-CNNODRBYSA-N 2 0 488.080 3.265 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001305606817 1068874527 /nfs/dbraw/zinc/87/45/27/1068874527.db2.gz WCCKXTGWDNRPDC-OALUTQOASA-N 2 0 476.069 3.122 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001305606818 1068874750 /nfs/dbraw/zinc/87/47/50/1068874750.db2.gz WCCKXTGWDNRPDC-RBUKOAKNSA-N 2 0 476.069 3.122 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001305609453 1068881825 /nfs/dbraw/zinc/88/18/25/1068881825.db2.gz DHMSLXKVSQMDOK-SFTDATJTSA-N 2 0 467.662 3.324 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305615257 1068892499 /nfs/dbraw/zinc/89/24/99/1068892499.db2.gz UKXRMJKTRNTFSR-GOSISDBHSA-N 2 0 459.639 3.047 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001305615348 1068892969 /nfs/dbraw/zinc/89/29/69/1068892969.db2.gz PSKPPXUWPIXJAV-BHDDXSALSA-N 2 0 483.709 3.101 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305615559 1068893807 /nfs/dbraw/zinc/89/38/07/1068893807.db2.gz QCCZFPGDHWPQTJ-NRFANRHFSA-N 2 0 483.709 3.103 20 0 JGADRP CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673185 1069022507 /nfs/dbraw/zinc/02/25/07/1069022507.db2.gz QXOJNQZQAQWJCY-CAOCKLPOSA-N 2 0 495.716 3.293 20 0 JGADRP CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677069 1069031771 /nfs/dbraw/zinc/03/17/71/1069031771.db2.gz WEAZZNOMIVDKGZ-RPBOFIJWSA-N 2 0 495.716 3.293 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305769529 1069245223 /nfs/dbraw/zinc/24/52/23/1069245223.db2.gz HDTWQYDOBBCNGB-FGZHOGPDSA-N 2 0 459.683 3.136 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001305772225 1069250468 /nfs/dbraw/zinc/25/04/68/1069250468.db2.gz FZERIZJBFCQKKC-FQEVSTJZSA-N 2 0 461.699 3.239 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305772719 1069251542 /nfs/dbraw/zinc/25/15/42/1069251542.db2.gz JZCOMDFXLVIAKU-OYRHEFFESA-N 2 0 491.725 3.006 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305778263 1069265184 /nfs/dbraw/zinc/26/51/84/1069265184.db2.gz AHKRCCHAWHSLPM-UHFFFAOYSA-N 2 0 495.716 3.216 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC[NH+]1CCCC1 ZINC001305787643 1069294272 /nfs/dbraw/zinc/29/42/72/1069294272.db2.gz NPQNVCCIKDRNAS-OAQYLSRUSA-N 2 0 467.662 3.003 20 0 JGADRP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164614323 719016976 /nfs/dbraw/zinc/01/69/76/719016976.db2.gz DZEFLDNFNZCXIX-WTIAFYNJSA-N 2 0 497.039 3.486 20 0 JGADRP c1ccc(C[N@@H+]2CCc3nc(N(Cc4noc5c4C[NH2+]CC5)c4ncccn4)ccc3C2)cc1 ZINC001164642898 719267061 /nfs/dbraw/zinc/26/70/61/719267061.db2.gz ZOEJTCWOGILOTH-UHFFFAOYSA-N 2 0 453.550 3.402 20 0 JGADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)c2ccccc21 ZINC001164680885 719674646 /nfs/dbraw/zinc/67/46/46/719674646.db2.gz IMXCTGVTZKFKTK-JOCHJYFZSA-N 2 0 477.653 3.012 20 0 JGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164715546 720107837 /nfs/dbraw/zinc/10/78/37/720107837.db2.gz HUXSBKSGXLWZDH-OAQYLSRUSA-N 2 0 471.049 3.500 20 0 JGADRP Cn1nnc2c1CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714976 720198915 /nfs/dbraw/zinc/19/89/15/720198915.db2.gz IADDPBOOIRAMBQ-HSZRJFAPSA-N 2 0 461.614 3.180 20 0 JGADRP Cn1nnc2c1CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164714978 720199031 /nfs/dbraw/zinc/19/90/31/720199031.db2.gz IADDPBOOIRAMBQ-QHCPKHFHSA-N 2 0 461.614 3.180 20 0 JGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715624 720203831 /nfs/dbraw/zinc/20/38/31/720203831.db2.gz LHUZJZIRHBCQSH-UPVQGACJSA-N 2 0 467.662 3.363 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCOC[C@]4(C[C@@H](CNc5cccc(F)c5)CO4)C3)c2)CC1 ZINC001164724818 720496658 /nfs/dbraw/zinc/49/66/58/720496658.db2.gz IDHFPHOFROFFPH-FNZWTVRRSA-N 2 0 470.589 3.418 20 0 JGADRP [NH3+]C1CCN(c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164752540 720901685 /nfs/dbraw/zinc/90/16/85/720901685.db2.gz FBCNZGBPJXXPEJ-YWEHKCAJSA-N 3 0 476.669 3.159 20 0 JGADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164791250 721473295 /nfs/dbraw/zinc/47/32/95/721473295.db2.gz VZQNFNSSHNMJDN-XMMPIXPASA-N 2 0 472.674 3.194 20 0 JGADRP c1ccc(C[N@@H+]2CCc3nc(N(C[C@@H]4OC[C@@H]5CC[NH2+]C[C@@H]54)c4ncccn4)ccc3C2)cc1 ZINC001164793275 721484043 /nfs/dbraw/zinc/48/40/43/721484043.db2.gz UBTWRSPIHGKRFD-LSQMVHIFSA-N 2 0 456.594 3.193 20 0 JGADRP CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001164905765 721579025 /nfs/dbraw/zinc/57/90/25/721579025.db2.gz WJTXCAVHXGYZEU-DEOSSOPVSA-N 2 0 469.630 3.318 20 0 JGADRP CCc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164905574 721714141 /nfs/dbraw/zinc/71/41/41/721714141.db2.gz HROQZKPRYCNISZ-HSZRJFAPSA-N 2 0 458.557 3.008 20 0 JGADRP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164952934 721991316 /nfs/dbraw/zinc/99/13/16/721991316.db2.gz RLAXWGKAAQZGEW-HOFKKMOUSA-N 2 0 496.677 3.240 20 0 JGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950677 721991342 /nfs/dbraw/zinc/99/13/42/721991342.db2.gz JSEVEXFZRCPSBJ-FJIJXJHWSA-N 2 0 462.660 3.228 20 0 JGADRP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164952937 721991358 /nfs/dbraw/zinc/99/13/58/721991358.db2.gz RLAXWGKAAQZGEW-WNCULLNHSA-N 2 0 496.677 3.240 20 0 JGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C[C@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950675 721991486 /nfs/dbraw/zinc/99/14/86/721991486.db2.gz JSEVEXFZRCPSBJ-BKULYWANSA-N 2 0 462.660 3.228 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CC[C@H](C3)C4C(=O)NCCc3cccs3)c2)CC1 ZINC001164957589 722038774 /nfs/dbraw/zinc/03/87/74/722038774.db2.gz AQKSDEPFDBUMOQ-QRQCMCJISA-N 2 0 454.640 3.437 20 0 JGADRP CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+]1CCCC1 ZINC001305804618 1069330138 /nfs/dbraw/zinc/33/01/38/1069330138.db2.gz UOOXQPYAGXKMDJ-GOTSBHOMSA-N 2 0 473.710 3.383 20 0 JGADRP CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1)[NH+]1CCCC1 ZINC001305815978 1069349336 /nfs/dbraw/zinc/34/93/36/1069349336.db2.gz QRZUIRFKNYATBR-QFIPXVFZSA-N 2 0 488.702 3.190 20 0 JGADRP CC[C@@H](Cn1c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305848997 1069400531 /nfs/dbraw/zinc/40/05/31/1069400531.db2.gz CSOGTCPNXTYWRO-ZRBLBEILSA-N 2 0 459.727 3.445 20 0 JGADRP CCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001305921196 1069476871 /nfs/dbraw/zinc/47/68/71/1069476871.db2.gz WVVVBLLJCOBCKF-XMMPIXPASA-N 2 0 454.663 3.254 20 0 JGADRP CN(CC(F)(F)F)c1nnc([C@H]2CCCCO2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001298250490 1064150193 /nfs/dbraw/zinc/15/01/93/1064150193.db2.gz XMTZLSKITVCQSX-LJQANCHMSA-N 2 0 467.540 3.126 20 0 JGADRP C[N@@H+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001298349830 1064213370 /nfs/dbraw/zinc/21/33/70/1064213370.db2.gz DZHYUKKKEICDQF-MHZLTWQESA-N 2 0 468.690 3.282 20 0 JGADRP CN(Cc1ccon1)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001298471505 1064268450 /nfs/dbraw/zinc/26/84/50/1064268450.db2.gz HJUGRNYIFHSPNI-UHFFFAOYSA-N 2 0 452.607 3.098 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001492266506 1065362213 /nfs/dbraw/zinc/36/22/13/1065362213.db2.gz NITDZXKJIWRYAJ-QHCPKHFHSA-N 2 0 467.662 3.265 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCOCC[NH+](C)C)cc1C ZINC001492269304 1065364951 /nfs/dbraw/zinc/36/49/51/1065364951.db2.gz YALGCOZZEWGQFN-FQEVSTJZSA-N 2 0 497.688 3.036 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302026035 1066385695 /nfs/dbraw/zinc/38/56/95/1066385695.db2.gz VWQHQKPFPQTIQY-FGZHOGPDSA-N 2 0 462.683 3.189 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001302030863 1066395903 /nfs/dbraw/zinc/39/59/03/1066395903.db2.gz YUYNKPJHCXERLW-PZJWPPBQSA-N 2 0 450.672 3.089 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302054159 1066446526 /nfs/dbraw/zinc/44/65/26/1066446526.db2.gz LDLPEQAUVFTNAO-AFXVXQJMSA-N 2 0 462.683 3.187 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302080415 1066496641 /nfs/dbraw/zinc/49/66/41/1066496641.db2.gz PDJYQYGDQYSXOB-RTWAWAEBSA-N 2 0 450.672 3.043 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001301707687 1066598308 /nfs/dbraw/zinc/59/83/08/1066598308.db2.gz FBESJJZVEFQDAC-URXFXBBRSA-N 2 0 473.710 3.043 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001301707688 1066598465 /nfs/dbraw/zinc/59/84/65/1066598465.db2.gz FBESJJZVEFQDAC-XUZZJYLKSA-N 2 0 473.710 3.043 20 0 JGADRP COCC[N@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301717809 1066619358 /nfs/dbraw/zinc/61/93/58/1066619358.db2.gz VUAOJBPOUGXHCE-UHFFFAOYSA-N 2 0 467.662 3.326 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001301723341 1066634838 /nfs/dbraw/zinc/63/48/38/1066634838.db2.gz YHSJDEOTCAUYID-UHFFFAOYSA-N 2 0 491.478 3.350 20 0 JGADRP COCC[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001301735556 1066657223 /nfs/dbraw/zinc/65/72/23/1066657223.db2.gz CTYGKRAONWIVFO-IEBWSBKVSA-N 2 0 497.471 3.415 20 0 JGADRP COCC[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001301735558 1066657271 /nfs/dbraw/zinc/65/72/71/1066657271.db2.gz CTYGKRAONWIVFO-PKOBYXMFSA-N 2 0 497.471 3.415 20 0 JGADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCCCCC2)CC1 ZINC001302199730 1066692151 /nfs/dbraw/zinc/69/21/51/1066692151.db2.gz HBGOKELGKZEBGI-UHFFFAOYSA-N 2 0 487.718 3.456 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302290737 1066869965 /nfs/dbraw/zinc/86/99/65/1066869965.db2.gz SFNJOUXXLBIVOE-GIWBLDEGSA-N 2 0 462.683 3.089 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001301877741 1066880229 /nfs/dbraw/zinc/88/02/29/1066880229.db2.gz RDALBZQYWLHCOC-WOJBJXKFSA-N 2 0 474.625 3.198 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001301877738 1066880345 /nfs/dbraw/zinc/88/03/45/1066880345.db2.gz RDALBZQYWLHCOC-PMACEKPBSA-N 2 0 474.625 3.198 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301885310 1066894252 /nfs/dbraw/zinc/89/42/52/1066894252.db2.gz IPERQWAEFWWQQU-NRFANRHFSA-N 2 0 470.662 3.233 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301886242 1066896636 /nfs/dbraw/zinc/89/66/36/1066896636.db2.gz SXKJZXIHYGWWFL-INIZCTEOSA-N 2 0 483.480 3.022 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001301896438 1066919274 /nfs/dbraw/zinc/91/92/74/1066919274.db2.gz JVFGKMCPIOFSOB-UNMCSNQZSA-N 2 0 452.603 3.306 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301909371 1066932866 /nfs/dbraw/zinc/93/28/66/1066932866.db2.gz AHUYDQBKLTZLBQ-XXBNENTESA-N 2 0 490.643 3.424 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001301918449 1066949334 /nfs/dbraw/zinc/94/93/34/1066949334.db2.gz CEKAARVMSAYAFS-UKILVPOCSA-N 2 0 468.690 3.455 20 0 JGADRP CON(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302358900 1066949928 /nfs/dbraw/zinc/94/99/28/1066949928.db2.gz VMGZPXCHDIRPTD-QHCPKHFHSA-N 2 0 469.678 3.008 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919716 1066952398 /nfs/dbraw/zinc/95/23/98/1066952398.db2.gz JZKUITKMRWOEES-XUZZJYLKSA-N 2 0 484.689 3.155 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001301928040 1066965165 /nfs/dbraw/zinc/96/51/65/1066965165.db2.gz RQIKDCKODPJZIZ-DNQXCXABSA-N 2 0 484.689 3.443 20 0 JGADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C[C@H]1C[NH+](C)C ZINC001302403925 1066984859 /nfs/dbraw/zinc/98/48/59/1066984859.db2.gz YINKFZGFVKGIHI-IAGOWNOFSA-N 2 0 461.404 3.448 20 0 JGADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)C[C@H]1C[NH+](C)C ZINC001302404037 1066985302 /nfs/dbraw/zinc/98/53/02/1066985302.db2.gz ZIXCUAZKUJWDAM-IAGOWNOFSA-N 2 0 464.404 3.433 20 0 JGADRP Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304029754 1067077466 /nfs/dbraw/zinc/07/74/66/1067077466.db2.gz MLASYWAQFDMJPX-MZYLBHOOSA-N 2 0 470.662 3.144 20 0 JGADRP CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302615097 1067249060 /nfs/dbraw/zinc/24/90/60/1067249060.db2.gz UBPYDSIRLKKTRX-QHCPKHFHSA-N 2 0 487.737 3.340 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001302674712 1067300616 /nfs/dbraw/zinc/30/06/16/1067300616.db2.gz UTSVUQYVJYJPAM-QHCPKHFHSA-N 2 0 454.663 3.327 20 0 JGADRP Cc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)[NH+](C)C)cc1 ZINC001304276804 1067315287 /nfs/dbraw/zinc/31/52/87/1067315287.db2.gz VPPMKJFDLDHYHM-QHCPKHFHSA-N 2 0 467.662 3.046 20 0 JGADRP Cc1ccc(-c2nnc(N(C)CC[NH+]3CCN(c4ccccc4)CC3)n2CC[N@@H+](C)C(C)C)o1 ZINC001304303757 1067351874 /nfs/dbraw/zinc/35/18/74/1067351874.db2.gz AELMEJYDYBEBLH-UHFFFAOYSA-N 2 0 465.646 3.445 20 0 JGADRP Cc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304325510 1067374245 /nfs/dbraw/zinc/37/42/45/1067374245.db2.gz VXIVOSSEHVGCJH-NHCUHLMSSA-N 2 0 471.694 3.429 20 0 JGADRP CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[NH+](C)C ZINC001302813540 1067400783 /nfs/dbraw/zinc/40/07/83/1067400783.db2.gz YUDGTFVGSUJFJX-DNVJHFABSA-N 2 0 470.710 3.244 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001302962032 1067533321 /nfs/dbraw/zinc/53/33/21/1067533321.db2.gz STMHYXOAGNAACM-DEOSSOPVSA-N 2 0 454.663 3.207 20 0 JGADRP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001304478632 1067557638 /nfs/dbraw/zinc/55/76/38/1067557638.db2.gz DJGZUUVHZPAEHU-DEOSSOPVSA-N 2 0 457.692 3.396 20 0 JGADRP Cc1cccc(OCc2nnc(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304512427 1067589377 /nfs/dbraw/zinc/58/93/77/1067589377.db2.gz PDBYWMCDOCXRIE-QHCPKHFHSA-N 2 0 483.705 3.110 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304554126 1067623771 /nfs/dbraw/zinc/62/37/71/1067623771.db2.gz WSSYCUSDWBNMDP-UHFFFAOYSA-N 2 0 481.733 3.418 20 0 JGADRP CC(C)CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001303095648 1067632131 /nfs/dbraw/zinc/63/21/31/1067632131.db2.gz PMAUCHBSLILLME-HHHXNRCGSA-N 2 0 484.689 3.403 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001303185148 1067719664 /nfs/dbraw/zinc/71/96/64/1067719664.db2.gz UQHYOYIVSFNPRD-UMFSSWHCSA-N 2 0 476.710 3.217 20 0 JGADRP Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](c2ccco2)[NH+](C)C)cs1 ZINC001304669341 1067737363 /nfs/dbraw/zinc/73/73/63/1067737363.db2.gz HEARFEOXLOEYPN-HXUWFJFHSA-N 2 0 457.648 3.308 20 0 JGADRP Cc1nc(Cc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001304671185 1067740290 /nfs/dbraw/zinc/74/02/90/1067740290.db2.gz UVWPUQYWMVCFGR-AUSIDOKSSA-N 2 0 489.734 3.300 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303258702 1067785615 /nfs/dbraw/zinc/78/56/15/1067785615.db2.gz OCLVDMYOCPKSJG-PKTZIBPZSA-N 2 0 467.662 3.089 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303258703 1067785650 /nfs/dbraw/zinc/78/56/50/1067785650.db2.gz OCLVDMYOCPKSJG-XZOQPEGZSA-N 2 0 467.662 3.089 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1 ZINC001303267892 1067795379 /nfs/dbraw/zinc/79/53/79/1067795379.db2.gz JGHWOUMMWVNMGG-UHFFFAOYSA-N 2 0 475.632 3.219 20 0 JGADRP CC(C)[N@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001303268319 1067795977 /nfs/dbraw/zinc/79/59/77/1067795977.db2.gz FGSSYPIFXQJNAA-OYRHEFFESA-N 2 0 489.709 3.454 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001303270115 1067798841 /nfs/dbraw/zinc/79/88/41/1067798841.db2.gz GSWMUPFWKYASRS-UHFFFAOYSA-N 2 0 471.053 3.385 20 0 JGADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001303274366 1067801805 /nfs/dbraw/zinc/80/18/05/1067801805.db2.gz DMIFDPCSHWKHNF-QHCPKHFHSA-N 2 0 462.683 3.189 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304739426 1067813168 /nfs/dbraw/zinc/81/31/68/1067813168.db2.gz DTWZRDGGJURIPB-ISKFKSNPSA-N 2 0 464.662 3.191 20 0 JGADRP CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC001303291302 1067815687 /nfs/dbraw/zinc/81/56/87/1067815687.db2.gz NGYXABAJRATNLG-JOCHJYFZSA-N 2 0 455.651 3.150 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001304754985 1067837368 /nfs/dbraw/zinc/83/73/68/1067837368.db2.gz URTZGTUKZHAOKV-QFIPXVFZSA-N 2 0 456.683 3.227 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001303311988 1067841681 /nfs/dbraw/zinc/84/16/81/1067841681.db2.gz TXFPDGMUJREOPD-UHFFFAOYSA-N 2 0 491.478 3.349 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001304758775 1067843666 /nfs/dbraw/zinc/84/36/66/1067843666.db2.gz DHMVQOHPMKYLFH-HFZDXXHNSA-N 2 0 470.710 3.428 20 0 JGADRP CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001303316506 1067844015 /nfs/dbraw/zinc/84/40/15/1067844015.db2.gz BGUDWSJBQWHHIM-UHFFFAOYSA-N 2 0 470.710 3.387 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303316820 1067844442 /nfs/dbraw/zinc/84/44/42/1067844442.db2.gz KGVHZAUKCFGZFQ-NRFANRHFSA-N 2 0 499.660 3.242 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001304759645 1067845182 /nfs/dbraw/zinc/84/51/82/1067845182.db2.gz KYPYQIFOXBBJOW-OYRHEFFESA-N 2 0 470.710 3.428 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001304762925 1067850741 /nfs/dbraw/zinc/85/07/41/1067850741.db2.gz HGMQDVJXCRKBPX-XMMPIXPASA-N 2 0 470.710 3.286 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304764371 1067853486 /nfs/dbraw/zinc/85/34/86/1067853486.db2.gz NXVVYICVXAVKIR-UHFFFAOYSA-N 2 0 458.699 3.286 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303329185 1067856899 /nfs/dbraw/zinc/85/68/99/1067856899.db2.gz XPURIVODTWQLQP-HUVFLSCGSA-N 2 0 481.689 3.246 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001303329184 1067857022 /nfs/dbraw/zinc/85/70/22/1067857022.db2.gz XPURIVODTWQLQP-AGILITTLSA-N 2 0 481.689 3.246 20 0 JGADRP Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001304858819 1067908798 /nfs/dbraw/zinc/90/87/98/1067908798.db2.gz AUOAYMRZVRHSPH-ROKPMTFOSA-N 2 0 457.642 3.023 20 0 JGADRP Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001304858815 1067908807 /nfs/dbraw/zinc/90/88/07/1067908807.db2.gz AUOAYMRZVRHSPH-JXALWOEJSA-N 2 0 457.642 3.023 20 0 JGADRP CC(C)[N@H+](C)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001304916144 1067959827 /nfs/dbraw/zinc/95/98/27/1067959827.db2.gz DTQFJRJUIWZTRO-ZEQRLZLVSA-N 2 0 467.706 3.465 20 0 JGADRP C[C@H]1C[C@H](C)C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001304924611 1067967706 /nfs/dbraw/zinc/96/77/06/1067967706.db2.gz IRXZMVULZWPSIP-VXKWHMMOSA-N 2 0 473.710 3.193 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001303464498 1067983464 /nfs/dbraw/zinc/98/34/64/1067983464.db2.gz JRPDXSWNNCAGSE-JOCHJYFZSA-N 2 0 454.598 3.087 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304979163 1068017220 /nfs/dbraw/zinc/01/72/20/1068017220.db2.gz LSESFWWZVHZENW-VVTBANEOSA-N 2 0 487.737 3.485 20 0 JGADRP CC1CCC([NH+]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CC(C)(C)C[NH+](C)C)CC2)CC1 ZINC001304979668 1068018194 /nfs/dbraw/zinc/01/81/94/1068018194.db2.gz UADHHFAHVBEVMJ-UHFFFAOYSA-N 2 0 482.677 3.214 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304982567 1068023619 /nfs/dbraw/zinc/02/36/19/1068023619.db2.gz GXLWKQIFLVIOKK-LVXARBLLSA-N 2 0 475.726 3.483 20 0 JGADRP C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305028724 1068086642 /nfs/dbraw/zinc/08/66/42/1068086642.db2.gz JDZUWKXCWPVEQS-VXKWHMMOSA-N 2 0 473.710 3.079 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305048738 1068108551 /nfs/dbraw/zinc/10/85/51/1068108551.db2.gz LRRYDVRAMWCRCG-NVQXNPDNSA-N 2 0 476.710 3.361 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001305109717 1068180089 /nfs/dbraw/zinc/18/00/89/1068180089.db2.gz SVVXCCFLKVFFNG-ZEQRLZLVSA-N 2 0 487.737 3.485 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305112384 1068186788 /nfs/dbraw/zinc/18/67/88/1068186788.db2.gz LGDUVXZCRUXVLD-OYRHEFFESA-N 2 0 488.652 3.414 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001305134323 1068221623 /nfs/dbraw/zinc/22/16/23/1068221623.db2.gz DXHDEHKDHFJWLC-RLWLMLJZSA-N 2 0 476.710 3.217 20 0 JGADRP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+](C)C1CC1 ZINC001303726449 1068278904 /nfs/dbraw/zinc/27/89/04/1068278904.db2.gz DLPSHEWPDIIYRT-BHIFYINESA-N 2 0 459.727 3.344 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303752429 1068313122 /nfs/dbraw/zinc/31/31/22/1068313122.db2.gz RNMCDVQJKQBWRE-LADGPHEKSA-N 2 0 454.663 3.379 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001303752515 1068313792 /nfs/dbraw/zinc/31/37/92/1068313792.db2.gz HUPYLHMGFHHDEC-BKMJKUGQSA-N 2 0 476.710 3.408 20 0 JGADRP C[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303753888 1068316454 /nfs/dbraw/zinc/31/64/54/1068316454.db2.gz FJWCXUGSIXYZAP-LJQANCHMSA-N 2 0 461.054 3.487 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303755320 1068318409 /nfs/dbraw/zinc/31/84/09/1068318409.db2.gz VWOZFINHUXXQFG-OZXSUGGESA-N 2 0 476.710 3.361 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303755315 1068318434 /nfs/dbraw/zinc/31/84/34/1068318434.db2.gz VWOZFINHUXXQFG-BVAGGSTKSA-N 2 0 476.710 3.361 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC001305223221 1068364179 /nfs/dbraw/zinc/36/41/79/1068364179.db2.gz SEMWSPIMPJVABG-JTHBVZDNSA-N 2 0 462.683 3.187 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303897364 1068538360 /nfs/dbraw/zinc/53/83/60/1068538360.db2.gz INXQAQWFKWFZSU-NRFANRHFSA-N 2 0 474.625 3.200 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001303898425 1068540736 /nfs/dbraw/zinc/54/07/36/1068540736.db2.gz PDENPROXUYZCGY-IBGZPJMESA-N 2 0 462.639 3.136 20 0 JGADRP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305399815 1068642030 /nfs/dbraw/zinc/64/20/30/1068642030.db2.gz SWYLBNCFLWBHLJ-ATIYNZHBSA-N 2 0 485.746 3.487 20 0 JGADRP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001305413948 1068652596 /nfs/dbraw/zinc/65/25/96/1068652596.db2.gz ZNGBADAQVOBCPA-KELBGUDLSA-N 2 0 487.737 3.293 20 0 JGADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001305512604 1068755272 /nfs/dbraw/zinc/75/52/72/1068755272.db2.gz GFBBMWIWSIOXEN-FIXSFTCYSA-N 2 0 481.689 3.055 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001305520223 1068771368 /nfs/dbraw/zinc/77/13/68/1068771368.db2.gz UOIIELMSQHTTPS-OFNKIYASSA-N 2 0 454.663 3.327 20 0 JGADRP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001305532129 1068788870 /nfs/dbraw/zinc/78/88/70/1068788870.db2.gz ZERQYDHLBFNJCR-UKILVPOCSA-N 2 0 489.753 3.143 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538443 1068802926 /nfs/dbraw/zinc/80/29/26/1068802926.db2.gz WRQYWTKCRLHFDM-RTWAWAEBSA-N 2 0 476.710 3.371 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538444 1068802997 /nfs/dbraw/zinc/80/29/97/1068802997.db2.gz WRQYWTKCRLHFDM-SFTDATJTSA-N 2 0 476.710 3.371 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305539251 1068806609 /nfs/dbraw/zinc/80/66/09/1068806609.db2.gz DFCSPQBYPJDYTG-XUZZJYLKSA-N 2 0 454.663 3.269 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305539255 1068807030 /nfs/dbraw/zinc/80/70/30/1068807030.db2.gz DFCSPQBYPJDYTG-ZJSXRUAMSA-N 2 0 454.663 3.269 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544445 1068821022 /nfs/dbraw/zinc/82/10/22/1068821022.db2.gz HZMGURYNKADKCB-XUZZJYLKSA-N 2 0 468.690 3.438 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546019 1068824160 /nfs/dbraw/zinc/82/41/60/1068824160.db2.gz QEPWAFZSTMUSPV-DHIUTWEWSA-N 2 0 476.710 3.231 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305545744 1068824302 /nfs/dbraw/zinc/82/43/02/1068824302.db2.gz YKGYDAQCOZCSHU-OAQYLSRUSA-N 2 0 473.735 3.244 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546022 1068824460 /nfs/dbraw/zinc/82/44/60/1068824460.db2.gz QEPWAFZSTMUSPV-XZOQPEGZSA-N 2 0 476.710 3.231 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001305608881 1068880378 /nfs/dbraw/zinc/88/03/78/1068880378.db2.gz VBCQRIBKTUEYJH-HXUWFJFHSA-N 2 0 488.080 3.073 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001305609564 1068882509 /nfs/dbraw/zinc/88/25/09/1068882509.db2.gz WBWIXUSYZCFOMP-IBGZPJMESA-N 2 0 476.069 3.272 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305611535 1068886054 /nfs/dbraw/zinc/88/60/54/1068886054.db2.gz MEPNCQWRCZLLQU-VSKRKVRLSA-N 2 0 469.678 3.396 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305614076 1068890727 /nfs/dbraw/zinc/89/07/27/1068890727.db2.gz JFVLOODTTYFGQZ-NFBKMPQASA-N 2 0 467.662 3.060 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001305615482 1068893685 /nfs/dbraw/zinc/89/36/85/1068893685.db2.gz WPSMZJZZRXOZJS-BHDDXSALSA-N 2 0 456.683 3.500 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305616209 1068895713 /nfs/dbraw/zinc/89/57/13/1068895713.db2.gz UJLQRDKNNBOAEV-XQUALCHDSA-N 2 0 475.726 3.245 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001305619241 1068902884 /nfs/dbraw/zinc/90/28/84/1068902884.db2.gz FVIPTKPVAFSURT-PCCBWWKXSA-N 2 0 456.635 3.269 20 0 JGADRP CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677067 1069031687 /nfs/dbraw/zinc/03/16/87/1069031687.db2.gz WEAZZNOMIVDKGZ-JWQCQUIFSA-N 2 0 495.716 3.293 20 0 JGADRP CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001305704342 1069090477 /nfs/dbraw/zinc/09/04/77/1069090477.db2.gz FAJSHLUJPFPKPU-NZQKXSOJSA-N 2 0 473.710 3.191 20 0 JGADRP CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001305704967 1069092201 /nfs/dbraw/zinc/09/22/01/1069092201.db2.gz HGIMYOHAUSBLQK-XMMPIXPASA-N 2 0 479.677 3.152 20 0 JGADRP CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001305708823 1069101975 /nfs/dbraw/zinc/10/19/75/1069101975.db2.gz YOKNUAQRGORKFQ-YKSBVNFPSA-N 2 0 471.694 3.340 20 0 JGADRP CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001305708778 1069102068 /nfs/dbraw/zinc/10/20/68/1069102068.db2.gz YLOYYFLSYWGQQJ-QHCPKHFHSA-N 2 0 469.678 3.398 20 0 JGADRP CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001305709132 1069102623 /nfs/dbraw/zinc/10/26/23/1069102623.db2.gz ACFVPDGLRFOFBL-RTWAWAEBSA-N 2 0 461.699 3.154 20 0 JGADRP CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([NH2+]C(C)C)CC1)[NH+]1CCOCC1 ZINC001305713272 1069114709 /nfs/dbraw/zinc/11/47/09/1069114709.db2.gz FJZNKRZUXDXSLM-DHIUTWEWSA-N 2 0 462.683 3.233 20 0 JGADRP CCC(CC)[C@H](Cn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001305713830 1069116500 /nfs/dbraw/zinc/11/65/00/1069116500.db2.gz HHXOJBTZNANBLL-QHCPKHFHSA-N 2 0 476.710 3.014 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001305736661 1069159092 /nfs/dbraw/zinc/15/90/92/1069159092.db2.gz AXXFISWTOBPCJF-FDFHNCONSA-N 2 0 475.726 3.483 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001305737649 1069161638 /nfs/dbraw/zinc/16/16/38/1069161638.db2.gz KUVIAELVUGXLKO-PMACEKPBSA-N 2 0 461.699 3.380 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164417984 718892657 /nfs/dbraw/zinc/89/26/57/718892657.db2.gz MJVHEYIMVOPXBD-AUSIDOKSSA-N 2 0 457.663 3.239 20 0 JGADRP Cc1cccc(CN2C(=O)COC3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC3)[C@H]2C)n1 ZINC001164430449 718951830 /nfs/dbraw/zinc/95/18/30/718951830.db2.gz VLSVJYATXOFIDW-OAQYLSRUSA-N 2 0 479.625 3.045 20 0 JGADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)c2ccccc21 ZINC001164684122 719675152 /nfs/dbraw/zinc/67/51/52/719675152.db2.gz SFSFAIWUYSURSF-QFIPXVFZSA-N 3 0 490.696 3.103 20 0 JGADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715620 720203297 /nfs/dbraw/zinc/20/32/97/720203297.db2.gz LHUZJZIRHBCQSH-ISKFKSNPSA-N 2 0 467.662 3.363 20 0 JGADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747233 720867664 /nfs/dbraw/zinc/86/76/64/720867664.db2.gz ATIPPAMBYQUZHV-ZEQKJWHPSA-N 2 0 450.631 3.391 20 0 JGADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nccc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164751778 720899504 /nfs/dbraw/zinc/89/95/04/720899504.db2.gz DOZKLDYMQJQATC-IGKIAQTJSA-N 2 0 462.642 3.094 20 0 JGADRP COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164872353 721225373 /nfs/dbraw/zinc/22/53/73/721225373.db2.gz NNMZYZDNYSPBCI-NRFANRHFSA-N 2 0 481.641 3.041 20 0 JGADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@@H]3C2)cn1 ZINC001164765501 721246557 /nfs/dbraw/zinc/24/65/57/721246557.db2.gz RPUNKQYSTRRVQJ-OALUTQOASA-N 2 0 462.976 3.348 20 0 JGADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885514 721453109 /nfs/dbraw/zinc/45/31/09/721453109.db2.gz FBPXRUJSAHAWQQ-QPPBQGQZSA-N 2 0 496.046 3.422 20 0 JGADRP Cc1nc(CN2CCO[C@@H]3CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164991739 722186271 /nfs/dbraw/zinc/18/62/71/722186271.db2.gz UPAHVSWPZLVOBG-XZOQPEGZSA-N 2 0 457.644 3.189 20 0 JGADRP C[NH+](C)CCOCc1ncn2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CCC2 ZINC001164999959 722252086 /nfs/dbraw/zinc/25/20/86/722252086.db2.gz KAGKDEVAPNBDSQ-UHFFFAOYSA-N 2 0 460.626 3.325 20 0 JGADRP CN(CC(C)(C)C)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001298229805 1064138701 /nfs/dbraw/zinc/13/87/01/1064138701.db2.gz IFOGIIOGJLOHIH-NRFANRHFSA-N 2 0 455.651 3.262 20 0 JGADRP C[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001298706225 1064512462 /nfs/dbraw/zinc/51/24/62/1064512462.db2.gz QXCWAENTQUNRBQ-OAQYLSRUSA-N 2 0 459.683 3.052 20 0 JGADRP CN(CCOC(C)(C)C)c1nnc(C(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001298747503 1064559141 /nfs/dbraw/zinc/55/91/41/1064559141.db2.gz COIXKVQCKNPOLM-UHFFFAOYSA-N 2 0 457.667 3.434 20 0 JGADRP C[N@@H+]1CC[C@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001298882311 1064689391 /nfs/dbraw/zinc/68/93/91/1064689391.db2.gz UIQSMQSWTBBOFG-HHHXNRCGSA-N 2 0 484.689 3.142 20 0 JGADRP CO[C@]1(C)CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC[N@H+](C)C(C)C)CC1 ZINC001299768189 1064964983 /nfs/dbraw/zinc/96/49/83/1064964983.db2.gz LISCBODJFXUOLA-MUUNZHRXSA-N 2 0 497.732 3.378 20 0 JGADRP COc1cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc(OC)c1OC ZINC001299858514 1065070564 /nfs/dbraw/zinc/07/05/64/1065070564.db2.gz PPFGMXYZGYPABL-FQEVSTJZSA-N 2 0 486.661 3.232 20 0 JGADRP COc1ccc(Br)c(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299973897 1065262892 /nfs/dbraw/zinc/26/28/92/1065262892.db2.gz MVEUDJFGAJNOJW-QGZVFWFLSA-N 2 0 479.467 3.444 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[NH+]2CC=CCC2)cc1C ZINC001492265962 1065360412 /nfs/dbraw/zinc/36/04/12/1065360412.db2.gz LLYOCSHJMGEPRI-UHFFFAOYSA-N 2 0 465.646 3.330 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492267197 1065363056 /nfs/dbraw/zinc/36/30/56/1065363056.db2.gz PQSMFDRGYKJSGG-NQIIRXRSSA-N 2 0 467.662 3.408 20 0 JGADRP COCC1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001301289597 1066097183 /nfs/dbraw/zinc/09/71/83/1066097183.db2.gz FMNGGZOWUDPKCH-UHFFFAOYSA-N 2 0 455.651 3.046 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302065906 1066466207 /nfs/dbraw/zinc/46/62/07/1066466207.db2.gz AALNLGMPALIRRI-YADHBBJMSA-N 2 0 464.699 3.433 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001302068908 1066472679 /nfs/dbraw/zinc/47/26/79/1066472679.db2.gz RTCPHTZRJAXWHF-NRFANRHFSA-N 2 0 450.672 3.189 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302068820 1066472692 /nfs/dbraw/zinc/47/26/92/1066472692.db2.gz PYIBJWOEXVOIBR-FBLLAGFSSA-N 2 0 464.699 3.433 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001302091648 1066519211 /nfs/dbraw/zinc/51/92/11/1066519211.db2.gz FWSIJLAIHWBZKG-FDFHNCONSA-N 2 0 462.683 3.187 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708026 1066598766 /nfs/dbraw/zinc/59/87/66/1066598766.db2.gz GZFLWUPBRSVHHV-QPPBQGQZSA-N 2 0 473.710 3.045 20 0 JGADRP COCC[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301712600 1066609221 /nfs/dbraw/zinc/60/92/21/1066609221.db2.gz FSBQQOOBTFYIRG-UHFFFAOYSA-N 2 0 496.498 3.315 20 0 JGADRP CC(C)(C)Cc1nnc(N2CCOC(C)(C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001302173801 1066644930 /nfs/dbraw/zinc/64/49/30/1066644930.db2.gz VZLJLLJRDDNRNH-UHFFFAOYSA-N 2 0 455.651 3.089 20 0 JGADRP CC(C)(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001302201708 1066696688 /nfs/dbraw/zinc/69/66/88/1066696688.db2.gz ASDHZAJEUHNSJL-HXUWFJFHSA-N 2 0 490.643 3.305 20 0 JGADRP CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001302201739 1066696732 /nfs/dbraw/zinc/69/67/32/1066696732.db2.gz BYEOVVOSLPDZAD-UHFFFAOYSA-N 2 0 458.626 3.041 20 0 JGADRP CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001302202017 1066697428 /nfs/dbraw/zinc/69/74/28/1066697428.db2.gz ASTDKIDHIZWWOX-UHFFFAOYSA-N 2 0 461.054 3.366 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001301886104 1066895819 /nfs/dbraw/zinc/89/58/19/1066895819.db2.gz RMPHSMOGSJJYNG-VXKWHMMOSA-N 2 0 470.662 3.375 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301887238 1066899132 /nfs/dbraw/zinc/89/91/32/1066899132.db2.gz GKVQCLNFDAZMNT-QGZVFWFLSA-N 2 0 495.441 3.099 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301891889 1066912717 /nfs/dbraw/zinc/91/27/17/1066912717.db2.gz RQKQHWNJSXEJER-VXKWHMMOSA-N 2 0 470.662 3.233 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC001301895838 1066916376 /nfs/dbraw/zinc/91/63/76/1066916376.db2.gz APUHISMVAUVOMJ-YADHBBJMSA-N 2 0 470.662 3.375 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896044 1066917951 /nfs/dbraw/zinc/91/79/51/1066917951.db2.gz DFWCKIYJULLVOZ-LEWJYISDSA-N 2 0 491.080 3.112 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301898327 1066922359 /nfs/dbraw/zinc/92/23/59/1066922359.db2.gz LBQILEVSHOYVPY-REWPJTCUSA-N 2 0 451.619 3.041 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301898325 1066922441 /nfs/dbraw/zinc/92/24/41/1066922441.db2.gz LBQILEVSHOYVPY-NZQKXSOJSA-N 2 0 451.619 3.041 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909368 1066933078 /nfs/dbraw/zinc/93/30/78/1066933078.db2.gz AHUYDQBKLTZLBQ-CVDCTZTESA-N 2 0 490.643 3.424 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@@H]1C ZINC001301909985 1066934321 /nfs/dbraw/zinc/93/43/21/1066934321.db2.gz AYXIIOZNIPVQBE-LADGPHEKSA-N 2 0 476.710 3.435 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913052 1066941193 /nfs/dbraw/zinc/94/11/93/1066941193.db2.gz SJLOIZQBSRQENT-NOZRDPDXSA-N 2 0 498.716 3.315 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001301913942 1066943079 /nfs/dbraw/zinc/94/30/79/1066943079.db2.gz NSSGMOBLIZUPSR-ACESQOTJSA-N 2 0 476.710 3.433 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301921252 1066954584 /nfs/dbraw/zinc/95/45/84/1066954584.db2.gz RXUBCMMHMSCKPV-FGZHOGPDSA-N 2 0 472.653 3.287 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301922726 1066956392 /nfs/dbraw/zinc/95/63/92/1066956392.db2.gz YNSQDERUFIUWAT-NHTMILBNSA-N 2 0 468.690 3.455 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301927573 1066963475 /nfs/dbraw/zinc/96/34/75/1066963475.db2.gz JRMDIYGHJIPHQE-GOTSBHOMSA-N 2 0 470.662 3.054 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001301927773 1066963952 /nfs/dbraw/zinc/96/39/52/1066963952.db2.gz NNKQFPSYPIYHPJ-QHCPKHFHSA-N 2 0 470.662 3.117 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301928920 1066966437 /nfs/dbraw/zinc/96/64/37/1066966437.db2.gz YDJKPHBRWWMKRX-VWNXMTODSA-N 2 0 484.689 3.443 20 0 JGADRP C[NH+](C)C[C@@H]1CN(C(=O)CC2(CNC(=O)OCc3ccccc3)CCCCC2)C[C@H]1C[NH+](C)C ZINC001302404031 1066985227 /nfs/dbraw/zinc/98/52/27/1066985227.db2.gz YXSSGWWWWHPXIH-DNQXCXABSA-N 2 0 472.674 3.451 20 0 JGADRP Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCOCC[NH+](C)C)c1C ZINC001304019791 1067064034 /nfs/dbraw/zinc/06/40/34/1067064034.db2.gz KSTIRBGYEOUZIY-MZYLBHOOSA-N 2 0 470.662 3.286 20 0 JGADRP Cc1ncsc1CN(C)c1nnc(CC(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001304093171 1067137058 /nfs/dbraw/zinc/13/70/58/1067137058.db2.gz KMSUTPWVUBIAAI-UHFFFAOYSA-N 2 0 468.675 3.485 20 0 JGADRP CSC1(Cn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001302608546 1067242688 /nfs/dbraw/zinc/24/26/88/1067242688.db2.gz KMIFRFWIPWPPEM-UHFFFAOYSA-N 2 0 474.723 3.064 20 0 JGADRP Cc1ccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)[NH+](C)C)cc1 ZINC001304271466 1067306811 /nfs/dbraw/zinc/30/68/11/1067306811.db2.gz CJJYSSDXWFUYME-HSZRJFAPSA-N 2 0 450.635 3.210 20 0 JGADRP Cc1ccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC([NH2+]C(C)C)CC2)[NH+](C)C)cc1 ZINC001304273081 1067309534 /nfs/dbraw/zinc/30/95/34/1067309534.db2.gz IHVQFJVQMJVZTM-HSZRJFAPSA-N 2 0 450.635 3.257 20 0 JGADRP CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[NH+](C)C ZINC001302802575 1067391063 /nfs/dbraw/zinc/39/10/63/1067391063.db2.gz FWEGRHWWXCYQQE-BJKOFHAPSA-N 2 0 481.689 3.201 20 0 JGADRP CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[NH+](C)C ZINC001302802578 1067391105 /nfs/dbraw/zinc/39/11/05/1067391105.db2.gz FWEGRHWWXCYQQE-ZEQRLZLVSA-N 2 0 481.689 3.201 20 0 JGADRP CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+](C)C ZINC001302813486 1067400794 /nfs/dbraw/zinc/40/07/94/1067400794.db2.gz YDMRJBDATCBSGH-ZCYQVOJMSA-N 2 0 479.673 3.116 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001304384907 1067436596 /nfs/dbraw/zinc/43/65/96/1067436596.db2.gz WAJCFTZRHOAHDS-HXUWFJFHSA-N 2 0 467.662 3.410 20 0 JGADRP CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC[NH+]1CCC(C)CC1 ZINC001302858278 1067441010 /nfs/dbraw/zinc/44/10/10/1067441010.db2.gz DTYADGHFXOXJCK-WIOPSUGQSA-N 2 0 470.710 3.461 20 0 JGADRP CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302897602 1067478609 /nfs/dbraw/zinc/47/86/09/1067478609.db2.gz YJUSCVGJSAHRGI-DNQXCXABSA-N 2 0 459.727 3.203 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304415987 1067487799 /nfs/dbraw/zinc/48/77/99/1067487799.db2.gz JGXISJOFHNLYQJ-UHFFFAOYSA-N 2 0 470.662 3.197 20 0 JGADRP Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC001304495462 1067571838 /nfs/dbraw/zinc/57/18/38/1067571838.db2.gz IFSUAGAVEKGCNT-ZEQRLZLVSA-N 2 0 495.716 3.415 20 0 JGADRP Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001304512210 1067588472 /nfs/dbraw/zinc/58/84/72/1067588472.db2.gz NOCILCYJEXJFNF-RUZDIDTESA-N 2 0 472.703 3.381 20 0 JGADRP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304536605 1067607506 /nfs/dbraw/zinc/60/75/06/1067607506.db2.gz CRMVTXAPUVAMIF-PSWAGMNNSA-N 2 0 484.689 3.300 20 0 JGADRP CC(C)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303142866 1067681460 /nfs/dbraw/zinc/68/14/60/1067681460.db2.gz SSYDYEGLUXKONL-AREMUKBSSA-N 2 0 485.746 3.172 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001303184765 1067718501 /nfs/dbraw/zinc/71/85/01/1067718501.db2.gz OVYRLBBZVQDYHF-UHFFFAOYSA-N 2 0 488.702 3.001 20 0 JGADRP CC(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001303195708 1067728624 /nfs/dbraw/zinc/72/86/24/1067728624.db2.gz KBPPFWXMCGASKY-UHFFFAOYSA-N 2 0 453.679 3.077 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001303196944 1067731530 /nfs/dbraw/zinc/73/15/30/1067731530.db2.gz QNKWUNVESYCPIZ-JOCHJYFZSA-N 2 0 453.660 3.406 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303198561 1067733735 /nfs/dbraw/zinc/73/37/35/1067733735.db2.gz FFCLJFUSCIANNK-SZPZYZBQSA-N 2 0 488.652 3.274 20 0 JGADRP Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC001304666473 1067733859 /nfs/dbraw/zinc/73/38/59/1067733859.db2.gz QCFLEYKCYUPXLP-IBGZPJMESA-N 2 0 475.707 3.102 20 0 JGADRP Cc1nc(Cc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC001304667919 1067736369 /nfs/dbraw/zinc/73/63/69/1067736369.db2.gz LINNQYLUEXSQID-FQEVSTJZSA-N 2 0 489.734 3.445 20 0 JGADRP Cc1nc(Cc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001304671187 1067740320 /nfs/dbraw/zinc/74/03/20/1067740320.db2.gz UVWPUQYWMVCFGR-XXBNENTESA-N 2 0 489.734 3.300 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001303206998 1067745157 /nfs/dbraw/zinc/74/51/57/1067745157.db2.gz XTMLAOFMNJCILY-OAQYLSRUSA-N 2 0 455.651 3.008 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001303255164 1067780816 /nfs/dbraw/zinc/78/08/16/1067780816.db2.gz XQMXNPJOSFZODH-UHFFFAOYSA-N 2 0 482.677 3.356 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001303261625 1067787869 /nfs/dbraw/zinc/78/78/69/1067787869.db2.gz PPFKDYSPNSYPMP-SJLPKXTDSA-N 2 0 464.456 3.439 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001303261626 1067788161 /nfs/dbraw/zinc/78/81/61/1067788161.db2.gz PPFKDYSPNSYPMP-WMZOPIPTSA-N 2 0 464.456 3.439 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303262561 1067789749 /nfs/dbraw/zinc/78/97/49/1067789749.db2.gz GVYDPGFYGHKIQR-HXUWFJFHSA-N 2 0 462.042 3.025 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303262560 1067789816 /nfs/dbraw/zinc/78/98/16/1067789816.db2.gz GVYDPGFYGHKIQR-FQEVSTJZSA-N 2 0 462.042 3.025 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001303264564 1067792074 /nfs/dbraw/zinc/79/20/74/1067792074.db2.gz KXGOJWZFJWGDBF-UHFFFAOYSA-N 2 0 473.666 3.294 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001303265463 1067792757 /nfs/dbraw/zinc/79/27/57/1067792757.db2.gz JZHVMNWYGKQZNN-UHFFFAOYSA-N 2 0 482.652 3.184 20 0 JGADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001303266213 1067793257 /nfs/dbraw/zinc/79/32/57/1067793257.db2.gz NXEJSPCKAOXHBT-XMMPIXPASA-N 2 0 454.663 3.267 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001303267951 1067795298 /nfs/dbraw/zinc/79/52/98/1067795298.db2.gz LGSCXLXIXSEYIZ-UHFFFAOYSA-N 2 0 487.718 3.455 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001303270014 1067798686 /nfs/dbraw/zinc/79/86/86/1067798686.db2.gz DZHWXKJYVHLUAN-UHFFFAOYSA-N 2 0 492.615 3.435 20 0 JGADRP CC(C)[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001303276472 1067803914 /nfs/dbraw/zinc/80/39/14/1067803914.db2.gz HBVURADNVRVPDJ-UHFFFAOYSA-N 2 0 481.733 3.398 20 0 JGADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001303278659 1067807745 /nfs/dbraw/zinc/80/77/45/1067807745.db2.gz MOVBFXZIQUNYKV-DHIUTWEWSA-N 2 0 476.710 3.086 20 0 JGADRP CC(C)[NH+](CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(C)C ZINC001303291730 1067816556 /nfs/dbraw/zinc/81/65/56/1067816556.db2.gz WXKGVXLFHZYZQC-UHFFFAOYSA-N 2 0 481.689 3.198 20 0 JGADRP CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(C)C ZINC001303295917 1067819779 /nfs/dbraw/zinc/81/97/79/1067819779.db2.gz MBUGAJMQPPKDPJ-RUZDIDTESA-N 2 0 479.673 3.258 20 0 JGADRP CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1)C(C)C ZINC001303299699 1067824494 /nfs/dbraw/zinc/82/44/94/1067824494.db2.gz YEXWJJYSXJNYSW-QHCPKHFHSA-N 2 0 462.683 3.187 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2CCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC001303307642 1067835867 /nfs/dbraw/zinc/83/58/67/1067835867.db2.gz GCQANJLUDPWLJM-UHFFFAOYSA-N 2 0 457.642 3.031 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303310766 1067839581 /nfs/dbraw/zinc/83/95/81/1067839581.db2.gz LHZUUFGSXWNVKX-UHFFFAOYSA-N 2 0 474.625 3.029 20 0 JGADRP CC(C)[NH+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1)C(C)C ZINC001303311338 1067840438 /nfs/dbraw/zinc/84/04/38/1067840438.db2.gz ZPLANBHIIKNFPT-UHFFFAOYSA-N 2 0 494.688 3.231 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCSCC2)CC1 ZINC001303311884 1067841062 /nfs/dbraw/zinc/84/10/62/1067841062.db2.gz PROCHJAOTCQMIM-UHFFFAOYSA-N 2 0 497.482 3.426 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001304758777 1067843568 /nfs/dbraw/zinc/84/35/68/1067843568.db2.gz DHMVQOHPMKYLFH-QFQXNSOFSA-N 2 0 470.710 3.428 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001304758778 1067843691 /nfs/dbraw/zinc/84/36/91/1067843691.db2.gz DHMVQOHPMKYLFH-RLWLMLJZSA-N 2 0 470.710 3.428 20 0 JGADRP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303317307 1067845964 /nfs/dbraw/zinc/84/59/64/1067845964.db2.gz UERVLYLKHNQQLO-OAQYLSRUSA-N 2 0 489.112 3.186 20 0 JGADRP CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001303317725 1067846991 /nfs/dbraw/zinc/84/69/91/1067846991.db2.gz BRJDFOHRCOYPFY-ZEQRLZLVSA-N 2 0 475.726 3.243 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC[NH+]1CCCCCC1 ZINC001303326352 1067855358 /nfs/dbraw/zinc/85/53/58/1067855358.db2.gz AGDOUULJDVYEDW-HSZRJFAPSA-N 2 0 467.662 3.003 20 0 JGADRP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001304859030 1067909291 /nfs/dbraw/zinc/90/92/91/1067909291.db2.gz GPVUSHFZXNDBKW-HXUWFJFHSA-N 2 0 460.589 3.188 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001303402727 1067931143 /nfs/dbraw/zinc/93/11/43/1067931143.db2.gz MLHYZHZQTLGKRG-TZIWHRDSSA-N 2 0 487.718 3.481 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001303402720 1067931220 /nfs/dbraw/zinc/93/12/20/1067931220.db2.gz MLHYZHZQTLGKRG-CTNGQTDRSA-N 2 0 487.718 3.481 20 0 JGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001304923669 1067965458 /nfs/dbraw/zinc/96/54/58/1067965458.db2.gz FGTLREBZHXNQTM-NHCUHLMSSA-N 2 0 454.667 3.414 20 0 JGADRP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001304924609 1067967394 /nfs/dbraw/zinc/96/73/94/1067967394.db2.gz IRXZMVULZWPSIP-FGZHOGPDSA-N 2 0 473.710 3.193 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001303467778 1067986556 /nfs/dbraw/zinc/98/65/56/1067986556.db2.gz IJKKVZLAYZIMSF-HSZRJFAPSA-N 2 0 479.094 3.257 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304981970 1068022863 /nfs/dbraw/zinc/02/28/63/1068022863.db2.gz CJTDEQIXKMWOTQ-NEKDWFFYSA-N 2 0 495.716 3.292 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304982568 1068023466 /nfs/dbraw/zinc/02/34/66/1068023466.db2.gz GXLWKQIFLVIOKK-QFQXNSOFSA-N 2 0 475.726 3.483 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001303501137 1068028401 /nfs/dbraw/zinc/02/84/01/1068028401.db2.gz FARGBSABQFIQOX-VWLOTQADSA-N 2 0 462.683 3.114 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCCC2)CCOC1 ZINC001303501931 1068030828 /nfs/dbraw/zinc/03/08/28/1068030828.db2.gz QJAWSHZFBCQJAB-RUZDIDTESA-N 2 0 462.683 3.115 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303504030 1068036107 /nfs/dbraw/zinc/03/61/07/1068036107.db2.gz UCIRKNBCVAUQJX-KCWPFWIISA-N 2 0 484.689 3.370 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCOC1 ZINC001303504033 1068036192 /nfs/dbraw/zinc/03/61/92/1068036192.db2.gz UCIRKNBCVAUQJX-WNCULLNHSA-N 2 0 484.689 3.370 20 0 JGADRP C[C@H]1CCCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305015475 1068057916 /nfs/dbraw/zinc/05/79/16/1068057916.db2.gz JQMPQBXCQOOZDA-LEWJYISDSA-N 2 0 459.683 3.052 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028411 1068085249 /nfs/dbraw/zinc/08/52/49/1068085249.db2.gz FZIXOEGPCCONOH-WOJBJXKFSA-N 2 0 487.718 3.357 20 0 JGADRP C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305028722 1068086836 /nfs/dbraw/zinc/08/68/36/1068086836.db2.gz JDZUWKXCWPVEQS-FCHUYYIVSA-N 2 0 473.710 3.079 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001303570713 1068094808 /nfs/dbraw/zinc/09/48/08/1068094808.db2.gz WGEGNDYSBBAZGI-NRFANRHFSA-N 2 0 469.659 3.252 20 0 JGADRP C[C@@H]1CCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001305061012 1068126375 /nfs/dbraw/zinc/12/63/75/1068126375.db2.gz XLMRGPGZOFAHHV-GGAORHGYSA-N 2 0 454.663 3.207 20 0 JGADRP CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305061929 1068128287 /nfs/dbraw/zinc/12/82/87/1068128287.db2.gz HASQHARIBDOYEC-HSZRJFAPSA-N 2 0 487.737 3.340 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305063641 1068133235 /nfs/dbraw/zinc/13/32/35/1068133235.db2.gz ILNIRAOHGDVEMD-HSZRJFAPSA-N 2 0 481.689 3.249 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001305104301 1068172042 /nfs/dbraw/zinc/17/20/42/1068172042.db2.gz UUBXAKKXAKIBGP-UHFFFAOYSA-N 2 0 473.710 3.193 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001305107561 1068176370 /nfs/dbraw/zinc/17/63/70/1068176370.db2.gz LAYUKWKDUFBSOK-BJKOFHAPSA-N 2 0 487.737 3.485 20 0 JGADRP CC1CC[NH+](CCn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)CC(F)(F)F)CC1 ZINC001305110822 1068181799 /nfs/dbraw/zinc/18/17/99/1068181799.db2.gz PUNWQCZPBPYMQN-UHFFFAOYSA-N 2 0 493.622 3.373 20 0 JGADRP C[C@@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303663787 1068195533 /nfs/dbraw/zinc/19/55/33/1068195533.db2.gz FYLMLHIVUDLEBB-LEWJYISDSA-N 2 0 459.683 3.052 20 0 JGADRP C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303691381 1068231742 /nfs/dbraw/zinc/23/17/42/1068231742.db2.gz DKHCOKWDCGTWKE-HNNXBMFYSA-N 2 0 464.456 3.439 20 0 JGADRP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC001303705947 1068249990 /nfs/dbraw/zinc/24/99/90/1068249990.db2.gz PUPQMGFBIBDNLH-MZKRTTBSSA-N 2 0 450.635 3.118 20 0 JGADRP C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC001305151301 1068257376 /nfs/dbraw/zinc/25/73/76/1068257376.db2.gz DWACPIOZKIEONS-LJQANCHMSA-N 2 0 461.054 3.487 20 0 JGADRP C[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)CCS1 ZINC001305203028 1068326717 /nfs/dbraw/zinc/32/67/17/1068326717.db2.gz DLAIAIPBOOXEPW-JOCHJYFZSA-N 2 0 485.746 3.172 20 0 JGADRP C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC001305210176 1068339470 /nfs/dbraw/zinc/33/94/70/1068339470.db2.gz PLIUWGKBJYKHNX-IBGZPJMESA-N 2 0 487.718 3.168 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305224599 1068366770 /nfs/dbraw/zinc/36/67/70/1068366770.db2.gz YBOZSJPOXWZRLP-DHIUTWEWSA-N 2 0 454.663 3.093 20 0 JGADRP C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](C)[NH+](C)C ZINC001303932540 1068591940 /nfs/dbraw/zinc/59/19/40/1068591940.db2.gz VTNSEZIYIOJSQH-SLFFLAALSA-N 2 0 474.625 3.197 20 0 JGADRP CC[C@@H](C)c1nnc(N(C)CC2CCOCC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001305390786 1068635561 /nfs/dbraw/zinc/63/55/61/1068635561.db2.gz FZJMDGRNRCZREU-OAQYLSRUSA-N 2 0 455.651 3.262 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305459839 1068702266 /nfs/dbraw/zinc/70/22/66/1068702266.db2.gz SVQRGJJHPLVGLO-BDTNDASRSA-N 2 0 457.667 3.292 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305509523 1068748722 /nfs/dbraw/zinc/74/87/22/1068748722.db2.gz MHABCPMNCZUCCW-JOCHJYFZSA-N 2 0 454.663 3.351 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001305520224 1068771255 /nfs/dbraw/zinc/77/12/55/1068771255.db2.gz UOIIELMSQHTTPS-REWPJTCUSA-N 2 0 454.663 3.327 20 0 JGADRP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001305532297 1068789570 /nfs/dbraw/zinc/78/95/70/1068789570.db2.gz ZSIRFAHSYXFEBB-BJKOFHAPSA-N 2 0 489.753 3.287 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001305532302 1068789584 /nfs/dbraw/zinc/78/95/84/1068789584.db2.gz ZSIRFAHSYXFEBB-RPWUZVMVSA-N 2 0 489.753 3.287 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001305532299 1068789653 /nfs/dbraw/zinc/78/96/53/1068789653.db2.gz ZSIRFAHSYXFEBB-DNQXCXABSA-N 2 0 489.753 3.287 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538441 1068803108 /nfs/dbraw/zinc/80/31/08/1068803108.db2.gz WRQYWTKCRLHFDM-LEWJYISDSA-N 2 0 476.710 3.371 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001305540805 1068810192 /nfs/dbraw/zinc/81/01/92/1068810192.db2.gz LMXAPVCBSNWGLM-WMTXJRDZSA-N 2 0 454.663 3.349 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](CC(C)C)CC2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305540948 1068811289 /nfs/dbraw/zinc/81/12/89/1068811289.db2.gz YBDGBFRTZMICSW-XMMPIXPASA-N 2 0 467.706 3.387 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544257 1068820087 /nfs/dbraw/zinc/82/00/87/1068820087.db2.gz GMQUANTYWLMGES-FCHUYYIVSA-N 2 0 476.710 3.372 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544832 1068821650 /nfs/dbraw/zinc/82/16/50/1068821650.db2.gz RTGYTMLYKLVWBH-JWQCQUIFSA-N 2 0 489.753 3.145 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305545743 1068824195 /nfs/dbraw/zinc/82/41/95/1068824195.db2.gz YKGYDAQCOZCSHU-NRFANRHFSA-N 2 0 473.735 3.244 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001305604165 1068869444 /nfs/dbraw/zinc/86/94/44/1068869444.db2.gz MKNAHEKXBUDHLM-IPJJNNNSSA-N 2 0 488.080 3.265 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001305607844 1068877276 /nfs/dbraw/zinc/87/72/76/1068877276.db2.gz ZLWWDPSAGAZHBJ-FQEVSTJZSA-N 2 0 468.650 3.110 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001305615349 1068892693 /nfs/dbraw/zinc/89/26/93/1068892693.db2.gz PSKPPXUWPIXJAV-FDFHNCONSA-N 2 0 483.709 3.101 20 0 JGADRP CC[C@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001305670577 1069016988 /nfs/dbraw/zinc/01/69/88/1069016988.db2.gz LHMQMNJWAHGJKL-BKMJKUGQSA-N 2 0 454.663 3.197 20 0 JGADRP CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001305708776 1069101958 /nfs/dbraw/zinc/10/19/58/1069101958.db2.gz YLOYYFLSYWGQQJ-HSZRJFAPSA-N 2 0 469.678 3.398 20 0 JGADRP CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001305709134 1069103329 /nfs/dbraw/zinc/10/33/29/1069103329.db2.gz ACFVPDGLRFOFBL-SFTDATJTSA-N 2 0 461.699 3.154 20 0 JGADRP CCC(CC)[C@H](Cn1c(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001305714498 1069117715 /nfs/dbraw/zinc/11/77/15/1069117715.db2.gz JFNWUDLJAPSTKF-PETUGJSASA-N 2 0 476.710 3.358 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001305736663 1069159062 /nfs/dbraw/zinc/15/90/62/1069159062.db2.gz AXXFISWTOBPCJF-FKBYEOEOSA-N 2 0 475.726 3.483 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001305776668 1069261005 /nfs/dbraw/zinc/26/10/05/1069261005.db2.gz PVYQFNFCJFSMLU-UHFFFAOYSA-N 2 0 461.699 3.239 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305778282 1069265829 /nfs/dbraw/zinc/26/58/29/1069265829.db2.gz AOZVDCYRXYBBMY-FQEVSTJZSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001305787642 1069294226 /nfs/dbraw/zinc/29/42/26/1069294226.db2.gz NPQNVCCIKDRNAS-NRFANRHFSA-N 2 0 467.662 3.003 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001305787940 1069295651 /nfs/dbraw/zinc/29/56/51/1069295651.db2.gz QJXTZEJWZFPLIW-QPPBQGQZSA-N 2 0 481.689 3.392 20 0 JGADRP Clc1ncc2c(c1N1CC[C@H]3[NH2+]CCO[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164388357 718824040 /nfs/dbraw/zinc/82/40/40/718824040.db2.gz AVWRCPJKJMSGQF-YADHBBJMSA-N 2 0 455.002 3.324 20 0 JGADRP Clc1ncc2c(c1N1CCCO[C@@]3(C[NH2+]CCOC3)C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164424134 718916615 /nfs/dbraw/zinc/91/66/15/718916615.db2.gz LSLJZFYFXIVWFH-SANMLTNESA-N 2 0 499.055 3.342 20 0 JGADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)nc1 ZINC001164687762 719687496 /nfs/dbraw/zinc/68/74/96/719687496.db2.gz VDOOSAUNFACRGA-XMMPIXPASA-N 2 0 479.673 3.490 20 0 JGADRP COCc1nn(-c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)c2c1C[NH2+]C2 ZINC001164709417 720079666 /nfs/dbraw/zinc/07/96/66/720079666.db2.gz DVUYUWINPQLUJY-UHFFFAOYSA-N 2 0 479.968 3.332 20 0 JGADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2nccc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164751783 720899264 /nfs/dbraw/zinc/89/92/64/720899264.db2.gz DOZKLDYMQJQATC-SQHAQQRYSA-N 2 0 462.642 3.094 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)C[C@H](NC(=O)c3ccccc3)CCO4)c2)CC1 ZINC001164863694 720902149 /nfs/dbraw/zinc/90/21/49/720902149.db2.gz YRVJCAGULGTQIX-QFQXNSOFSA-N 2 0 450.583 3.113 20 0 JGADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885521 721453171 /nfs/dbraw/zinc/45/31/71/721453171.db2.gz FBPXRUJSAHAWQQ-XUZZJYLKSA-N 2 0 496.046 3.422 20 0 JGADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885520 721453524 /nfs/dbraw/zinc/45/35/24/721453524.db2.gz FBPXRUJSAHAWQQ-URXFXBBRSA-N 2 0 496.046 3.422 20 0 JGADRP Cc1nc(CN2CC[C@@]3(CCCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)C2=O)cs1 ZINC001164892053 721461913 /nfs/dbraw/zinc/46/19/13/721461913.db2.gz WCOZQNRRJUUMBF-XMMPIXPASA-N 2 0 455.628 3.339 20 0 JGADRP Cc1nc(CN2CC[C@]3(CCCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)C2=O)cs1 ZINC001164892052 721462035 /nfs/dbraw/zinc/46/20/35/721462035.db2.gz WCOZQNRRJUUMBF-DEOSSOPVSA-N 2 0 455.628 3.339 20 0 JGADRP C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009149 721691899 /nfs/dbraw/zinc/69/18/99/721691899.db2.gz NNXRIRMPUOSJCK-RTGAMMJTSA-N 2 0 465.598 3.352 20 0 JGADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164962941 722054555 /nfs/dbraw/zinc/05/45/55/722054555.db2.gz GAJFUHWCSLBSAX-UHFFFAOYSA-N 2 0 457.022 3.111 20 0 JGADRP Cc1nc(CN2CCO[C@H]3CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164991731 722186299 /nfs/dbraw/zinc/18/62/99/722186299.db2.gz UPAHVSWPZLVOBG-GOTSBHOMSA-N 2 0 457.644 3.189 20 0 JGADRP CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+]1CCCC1 ZINC001305804620 1069329880 /nfs/dbraw/zinc/32/98/80/1069329880.db2.gz UOOXQPYAGXKMDJ-XZOQPEGZSA-N 2 0 473.710 3.383 20 0 JGADRP CN(CC(F)(F)F)c1nnc([C@@H]2CCCCO2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001298250489 1064150172 /nfs/dbraw/zinc/15/01/72/1064150172.db2.gz XMTZLSKITVCQSX-IBGZPJMESA-N 2 0 467.540 3.126 20 0 JGADRP CN(CCC(F)(F)F)c1nnc(Cc2ccccn2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001298600975 1064375228 /nfs/dbraw/zinc/37/52/28/1064375228.db2.gz WVVZMPIMFACLMC-UHFFFAOYSA-N 2 0 488.562 3.260 20 0 JGADRP C[N@H+](CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC001298674433 1064459970 /nfs/dbraw/zinc/45/99/70/1064459970.db2.gz NDWOPAAUVRXKNB-DEOSSOPVSA-N 2 0 495.716 3.132 20 0 JGADRP C[N@H+](CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC001298674436 1064460028 /nfs/dbraw/zinc/46/00/28/1064460028.db2.gz NDWOPAAUVRXKNB-XMMPIXPASA-N 2 0 495.716 3.132 20 0 JGADRP C[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[NH+](C(C)(C)C)CC1)Cc1ccccc1 ZINC001298697382 1064499094 /nfs/dbraw/zinc/49/90/94/1064499094.db2.gz FIBOTRWYYZTHOR-UHFFFAOYSA-N 2 0 490.656 3.368 20 0 JGADRP C[N@@H+]1CC[C@@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001298881944 1064688751 /nfs/dbraw/zinc/68/87/51/1064688751.db2.gz NEJCUJWIWPYQEP-QHCPKHFHSA-N 2 0 479.094 3.211 20 0 JGADRP C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298885138 1064691161 /nfs/dbraw/zinc/69/11/61/1064691161.db2.gz GYYPHZHXOHTDFU-OAQYLSRUSA-N 2 0 473.710 3.193 20 0 JGADRP C[N@@H+]1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001298895758 1064702860 /nfs/dbraw/zinc/70/28/60/1064702860.db2.gz DUPIFBUSUMZTPQ-UHFFFAOYSA-N 2 0 489.659 3.094 20 0 JGADRP COc1cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[NH+]2CCCCC2)cc(OC)c1OC ZINC001299858095 1065070105 /nfs/dbraw/zinc/07/01/05/1065070105.db2.gz JFCSPPKSWHHTHM-UHFFFAOYSA-N 2 0 486.661 3.377 20 0 JGADRP COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC[N@H+](C)C(C)C ZINC001299907601 1065149946 /nfs/dbraw/zinc/14/99/46/1065149946.db2.gz IQRBIWOUIKOBSN-HXUWFJFHSA-N 2 0 491.080 3.496 20 0 JGADRP COc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC001299988642 1065291929 /nfs/dbraw/zinc/29/19/29/1065291929.db2.gz SNTNGZXROAEBNQ-HSZRJFAPSA-N 2 0 497.688 3.183 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492250157 1065349868 /nfs/dbraw/zinc/34/98/68/1065349868.db2.gz JDMCGOCRHXVKHB-IRLDBZIGSA-N 2 0 453.635 3.162 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492386118 1065454774 /nfs/dbraw/zinc/45/47/74/1065454774.db2.gz XTTYYHOXPGUKOA-XMMPIXPASA-N 2 0 497.732 3.419 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001302030861 1066396135 /nfs/dbraw/zinc/39/61/35/1066396135.db2.gz YUYNKPJHCXERLW-FPOVZHCZSA-N 2 0 450.672 3.089 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302057307 1066454234 /nfs/dbraw/zinc/45/42/34/1066454234.db2.gz YAJXNDODZLLBNB-DNVJHFABSA-N 2 0 462.683 3.187 20 0 JGADRP COCCC[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301613721 1066463215 /nfs/dbraw/zinc/46/32/15/1066463215.db2.gz PTHNQVVEVCYHLO-UHFFFAOYSA-N 2 0 460.642 3.287 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302078699 1066492168 /nfs/dbraw/zinc/49/21/68/1066492168.db2.gz LRRWTRLAQKCEGK-SFTDATJTSA-N 2 0 450.672 3.045 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302091647 1066519500 /nfs/dbraw/zinc/51/95/00/1066519500.db2.gz FWSIJLAIHWBZKG-BHIFYINESA-N 2 0 462.683 3.187 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301706969 1066596736 /nfs/dbraw/zinc/59/67/36/1066596736.db2.gz AAUVPHPPWYSVPM-RDGATRHJSA-N 2 0 473.710 3.012 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301727287 1066644303 /nfs/dbraw/zinc/64/43/03/1066644303.db2.gz AOXAZIBLFAORHJ-UHFFFAOYSA-N 2 0 451.619 3.038 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301727548 1066645093 /nfs/dbraw/zinc/64/50/93/1066645093.db2.gz FRTDNQDNMANRBN-UHFFFAOYSA-N 2 0 465.646 3.382 20 0 JGADRP CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001302175069 1066648161 /nfs/dbraw/zinc/64/81/61/1066648161.db2.gz CGKORBVZXNXKFP-UHFFFAOYSA-N 2 0 460.711 3.416 20 0 JGADRP COCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301734818 1066656010 /nfs/dbraw/zinc/65/60/10/1066656010.db2.gz ROGJIDLFQUSMJO-UHFFFAOYSA-N 2 0 490.643 3.426 20 0 JGADRP C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001302226730 1066739858 /nfs/dbraw/zinc/73/98/58/1066739858.db2.gz LAIGQRMROYOTDY-QFIPXVFZSA-N 2 0 458.647 3.346 20 0 JGADRP COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301874094 1066874140 /nfs/dbraw/zinc/87/41/40/1066874140.db2.gz DPZDQBSERWJZPF-NFBKMPQASA-N 2 0 497.688 3.036 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001301877186 1066878663 /nfs/dbraw/zinc/87/86/63/1066878663.db2.gz JZGAAVBOSZQXIM-URVUXULASA-N 2 0 458.651 3.142 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001301877184 1066878742 /nfs/dbraw/zinc/87/87/42/1066878742.db2.gz JZGAAVBOSZQXIM-ONTIZHBOSA-N 2 0 458.651 3.142 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001302303182 1066889841 /nfs/dbraw/zinc/88/98/41/1066889841.db2.gz ASLDRVJOMYFDGN-VXKWHMMOSA-N 2 0 450.672 3.041 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[NH+](C(C)C)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302304678 1066891955 /nfs/dbraw/zinc/89/19/55/1066891955.db2.gz ZGUYWNLKYSTPOO-KIHHCIJBSA-N 2 0 476.710 3.291 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302305401 1066894334 /nfs/dbraw/zinc/89/43/34/1066894334.db2.gz OPXRIXIDIAEZLZ-FSSWDIPSSA-N 2 0 462.683 3.043 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001301887283 1066900381 /nfs/dbraw/zinc/90/03/81/1066900381.db2.gz IAWPTAPZAKYYQL-SFHVURJKSA-N 2 0 477.053 3.248 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301888791 1066904982 /nfs/dbraw/zinc/90/49/82/1066904982.db2.gz PITCBGNWZGEOTQ-WOJBJXKFSA-N 2 0 461.054 3.487 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001301892974 1066914282 /nfs/dbraw/zinc/91/42/82/1066914282.db2.gz XZOTWXIHWZKCQA-PKTZIBPZSA-N 2 0 454.663 3.470 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301896017 1066917931 /nfs/dbraw/zinc/91/79/31/1066917931.db2.gz CGPYKAKPBVUVOW-VQTJNVASSA-N 2 0 461.054 3.487 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301896018 1066918201 /nfs/dbraw/zinc/91/82/01/1066918201.db2.gz CGPYKAKPBVUVOW-WOJBJXKFSA-N 2 0 461.054 3.487 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301898324 1066922158 /nfs/dbraw/zinc/92/21/58/1066922158.db2.gz LBQILEVSHOYVPY-NFBKMPQASA-N 2 0 451.619 3.041 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301909365 1066933139 /nfs/dbraw/zinc/93/31/39/1066933139.db2.gz AHUYDQBKLTZLBQ-AUSIDOKSSA-N 2 0 490.643 3.424 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@H]1C ZINC001301909984 1066934288 /nfs/dbraw/zinc/93/42/88/1066934288.db2.gz AYXIIOZNIPVQBE-ISKFKSNPSA-N 2 0 476.710 3.435 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001301912585 1066939553 /nfs/dbraw/zinc/93/95/53/1066939553.db2.gz KTXNMJGUUZTWKY-WWNPGLIZSA-N 2 0 462.683 3.187 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001301913943 1066943365 /nfs/dbraw/zinc/94/33/65/1066943365.db2.gz NSSGMOBLIZUPSR-BJESRGMDSA-N 2 0 476.710 3.433 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301918297 1066948092 /nfs/dbraw/zinc/94/80/92/1066948092.db2.gz HBDBXWKMPYGEJY-RCZVLFRGSA-N 2 0 477.657 3.032 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920003 1066953017 /nfs/dbraw/zinc/95/30/17/1066953017.db2.gz LTVJSUMOAHQHAT-NZQKXSOJSA-N 2 0 472.653 3.285 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926998 1066960928 /nfs/dbraw/zinc/96/09/28/1066960928.db2.gz RSHFHUFUBQVVCC-LADGPHEKSA-N 2 0 484.689 3.177 20 0 JGADRP Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304029755 1067077494 /nfs/dbraw/zinc/07/74/94/1067077494.db2.gz MLASYWAQFDMJPX-WWNPGLIZSA-N 2 0 470.662 3.144 20 0 JGADRP CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001302518746 1067137889 /nfs/dbraw/zinc/13/78/89/1067137889.db2.gz IABPYOYNSUTUMT-JOCHJYFZSA-N 2 0 455.651 3.008 20 0 JGADRP Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304140960 1067182943 /nfs/dbraw/zinc/18/29/43/1067182943.db2.gz VHPHADULWLAJFW-CPJSRVTESA-N 2 0 491.080 3.285 20 0 JGADRP Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304325475 1067374372 /nfs/dbraw/zinc/37/43/72/1067374372.db2.gz VIYQFPRZCIYLHR-SZPZYZBQSA-N 2 0 488.677 3.281 20 0 JGADRP CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)[NH+](C)C ZINC001302813541 1067400834 /nfs/dbraw/zinc/40/08/34/1067400834.db2.gz YUDGTFVGSUJFJX-RJGXRXQPSA-N 2 0 470.710 3.244 20 0 JGADRP CC(C)C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC001302820912 1067408749 /nfs/dbraw/zinc/40/87/49/1067408749.db2.gz SCSLGKITHPMQNN-NOZRDPDXSA-N 2 0 489.753 3.143 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1C ZINC001304384904 1067436135 /nfs/dbraw/zinc/43/61/35/1067436135.db2.gz WAJCFTZRHOAHDS-FQEVSTJZSA-N 2 0 467.662 3.410 20 0 JGADRP CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302893206 1067473831 /nfs/dbraw/zinc/47/38/31/1067473831.db2.gz UGRJHQHZQLDXEI-BKSPAHHJSA-N 2 0 478.751 3.240 20 0 JGADRP CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302897603 1067478592 /nfs/dbraw/zinc/47/85/92/1067478592.db2.gz YJUSCVGJSAHRGI-RPWUZVMVSA-N 2 0 459.727 3.203 20 0 JGADRP CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001302899328 1067481591 /nfs/dbraw/zinc/48/15/91/1067481591.db2.gz HSMFPQFAIIMPMI-XMMPIXPASA-N 2 0 459.727 3.203 20 0 JGADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302919226 1067500989 /nfs/dbraw/zinc/50/09/89/1067500989.db2.gz JIEZHJKNAQTGLK-HSZRJFAPSA-N 2 0 460.711 3.416 20 0 JGADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001302937796 1067511298 /nfs/dbraw/zinc/51/12/98/1067511298.db2.gz CHRJRDPVPOPSJC-NHCUHLMSSA-N 2 0 460.692 3.390 20 0 JGADRP CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302938528 1067512077 /nfs/dbraw/zinc/51/20/77/1067512077.db2.gz SDGZQFGFJGRHON-URXFXBBRSA-N 2 0 472.653 3.467 20 0 JGADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001302938593 1067512143 /nfs/dbraw/zinc/51/21/43/1067512143.db2.gz JESWKNFHSCEBIP-KMDXXIMOSA-N 2 0 460.711 3.393 20 0 JGADRP CC(C)Cc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302938866 1067512723 /nfs/dbraw/zinc/51/27/23/1067512723.db2.gz UGNKALBRWPVPBR-QHCPKHFHSA-N 2 0 470.710 3.290 20 0 JGADRP CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302957852 1067529279 /nfs/dbraw/zinc/52/92/79/1067529279.db2.gz VPZVXKMVMHJYQA-JOCHJYFZSA-N 2 0 459.727 3.061 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304561873 1067632238 /nfs/dbraw/zinc/63/22/38/1067632238.db2.gz RCFAIJXHLDVCEP-UKILVPOCSA-N 2 0 468.690 3.312 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001303178787 1067712509 /nfs/dbraw/zinc/71/25/09/1067712509.db2.gz VWGSECZDDNZDIU-LJQANCHMSA-N 2 0 482.658 3.068 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(C(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001303182087 1067714435 /nfs/dbraw/zinc/71/44/35/1067714435.db2.gz FFWCXQQAIIJCGH-XMMPIXPASA-N 2 0 454.663 3.471 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303183280 1067715742 /nfs/dbraw/zinc/71/57/42/1067715742.db2.gz BRZVRRNUIIHKLV-RPLLCQBOSA-N 2 0 484.689 3.400 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303183285 1067715890 /nfs/dbraw/zinc/71/58/90/1067715890.db2.gz BRZVRRNUIIHKLV-SQHAQQRYSA-N 2 0 484.689 3.400 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001303195458 1067728770 /nfs/dbraw/zinc/72/87/70/1067728770.db2.gz FXQHYWYNMIHUFP-ZRZAMGCNSA-N 2 0 453.679 3.410 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303195850 1067728997 /nfs/dbraw/zinc/72/89/97/1067728997.db2.gz DKFAQOFRPGTJEX-QHCPKHFHSA-N 2 0 475.081 3.147 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001303203985 1067739951 /nfs/dbraw/zinc/73/99/51/1067739951.db2.gz IXYXZOJKJQQEFA-VWLOTQADSA-N 2 0 483.705 3.177 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001303204480 1067741275 /nfs/dbraw/zinc/74/12/75/1067741275.db2.gz MSFRJASTUKYIEW-JOCHJYFZSA-N 2 0 460.692 3.254 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001303261582 1067787849 /nfs/dbraw/zinc/78/78/49/1067787849.db2.gz NWBSWGLRWGYFGM-JOCHJYFZSA-N 2 0 488.702 3.144 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303261567 1067788114 /nfs/dbraw/zinc/78/81/14/1067788114.db2.gz NJKYFTIHGHWIHP-UHFFFAOYSA-N 2 0 452.445 3.296 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001303261845 1067788959 /nfs/dbraw/zinc/78/89/59/1067788959.db2.gz YUJWOJSRACBWSY-NRFANRHFSA-N 2 0 487.718 3.322 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001303268678 1067796928 /nfs/dbraw/zinc/79/69/28/1067796928.db2.gz KTTUDURDKDAWDH-UHFFFAOYSA-N 2 0 474.625 3.028 20 0 JGADRP CC(C)[NH+](CCCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC001303291303 1067815781 /nfs/dbraw/zinc/81/57/81/1067815781.db2.gz NGYXABAJRATNLG-QFIPXVFZSA-N 2 0 455.651 3.150 20 0 JGADRP CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001303291483 1067816097 /nfs/dbraw/zinc/81/60/97/1067816097.db2.gz QKXPKZGCTDIOAD-NRFANRHFSA-N 2 0 457.667 3.472 20 0 JGADRP CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)C ZINC001303295918 1067820050 /nfs/dbraw/zinc/82/00/50/1067820050.db2.gz MBUGAJMQPPKDPJ-VWLOTQADSA-N 2 0 479.673 3.258 20 0 JGADRP CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC001303298561 1067823429 /nfs/dbraw/zinc/82/34/29/1067823429.db2.gz MDJMGFZJJXASIV-QHCPKHFHSA-N 2 0 467.662 3.060 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303311137 1067840200 /nfs/dbraw/zinc/84/02/00/1067840200.db2.gz RNBPEFCQFCKYGB-UHFFFAOYSA-N 2 0 461.054 3.364 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001303314429 1067842766 /nfs/dbraw/zinc/84/27/66/1067842766.db2.gz ZBMOPEUUPVQICU-FQEVSTJZSA-N 2 0 489.709 3.406 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303318001 1067847523 /nfs/dbraw/zinc/84/75/23/1067847523.db2.gz WUSUIJQWGVLLGW-HSZRJFAPSA-N 2 0 451.594 3.236 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001304762921 1067850412 /nfs/dbraw/zinc/85/04/12/1067850412.db2.gz HDIVKUHHZBPTIV-NRFANRHFSA-N 2 0 470.710 3.430 20 0 JGADRP Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001304800811 1067884843 /nfs/dbraw/zinc/88/48/43/1067884843.db2.gz SZALAYNWTYUPDT-QFIPXVFZSA-N 2 0 453.679 3.355 20 0 JGADRP Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001304858822 1067908793 /nfs/dbraw/zinc/90/87/93/1067908793.db2.gz AUOAYMRZVRHSPH-YOSAUDMPSA-N 2 0 457.642 3.023 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001303401964 1067929615 /nfs/dbraw/zinc/92/96/15/1067929615.db2.gz GVYZQAVYWGAHBT-UHFFFAOYSA-N 2 0 491.750 3.089 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304925152 1067968057 /nfs/dbraw/zinc/96/80/57/1067968057.db2.gz LCHGAZLTOXQZHY-DHIUTWEWSA-N 2 0 487.737 3.439 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001303465464 1067984823 /nfs/dbraw/zinc/98/48/23/1067984823.db2.gz QAOKOLRXGKINHF-QFIPXVFZSA-N 2 0 452.582 3.144 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001303465830 1067985175 /nfs/dbraw/zinc/98/51/75/1067985175.db2.gz UPCMRSHXHUSDLB-UHFFFAOYSA-N 2 0 494.688 3.278 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001303467826 1067986972 /nfs/dbraw/zinc/98/69/72/1067986972.db2.gz KHAVFBBEDIFCJL-NRFANRHFSA-N 2 0 487.718 3.357 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCOC1 ZINC001303501210 1068029056 /nfs/dbraw/zinc/02/90/56/1068029056.db2.gz GAKJBILCTXZSHF-BKMJKUGQSA-N 2 0 476.710 3.360 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2([NH+](C)C)CCCC2)CCOC1 ZINC001303501892 1068030931 /nfs/dbraw/zinc/03/09/31/1068030931.db2.gz JXQHVBUGQUTUKP-VWLOTQADSA-N 2 0 462.683 3.114 20 0 JGADRP CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001304989156 1068031586 /nfs/dbraw/zinc/03/15/86/1068031586.db2.gz RBTQVJHMQBSXRW-PXDATVDWSA-N 2 0 457.667 3.331 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C4CCC4)CC3)n2CC[NH+](C(C)C)C(C)C)CCOC1 ZINC001303504496 1068037137 /nfs/dbraw/zinc/03/71/37/1068037137.db2.gz WBGQUJFVWXQYAC-VWLOTQADSA-N 2 0 462.683 3.112 20 0 JGADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)C1 ZINC001305014298 1068055543 /nfs/dbraw/zinc/05/55/43/1068055543.db2.gz QMTYQPXOZJVICB-FGZHOGPDSA-N 2 0 455.651 3.009 20 0 JGADRP C[C@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305015479 1068057864 /nfs/dbraw/zinc/05/78/64/1068057864.db2.gz JQMPQBXCQOOZDA-SFTDATJTSA-N 2 0 459.683 3.052 20 0 JGADRP C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305028725 1068086910 /nfs/dbraw/zinc/08/69/10/1068086910.db2.gz JDZUWKXCWPVEQS-YADHBBJMSA-N 2 0 473.710 3.079 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001305051384 1068114984 /nfs/dbraw/zinc/11/49/84/1068114984.db2.gz ZJADYNYSPTVQQN-VSKRKVRLSA-N 2 0 489.709 3.311 20 0 JGADRP C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305058938 1068122317 /nfs/dbraw/zinc/12/23/17/1068122317.db2.gz JNTMYIWAEPAERE-HXUWFJFHSA-N 2 0 488.702 3.144 20 0 JGADRP C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC001305065907 1068137470 /nfs/dbraw/zinc/13/74/70/1068137470.db2.gz JEBCGXTWECFCRH-JOCHJYFZSA-N 2 0 481.689 3.203 20 0 JGADRP C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC001305096212 1068163406 /nfs/dbraw/zinc/16/34/06/1068163406.db2.gz SAKPLGKCJURBKD-VJBWXMMDSA-N 2 0 453.679 3.075 20 0 JGADRP CC1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001305103360 1068170477 /nfs/dbraw/zinc/17/04/77/1068170477.db2.gz HFQBNISGLSTHDU-UHFFFAOYSA-N 2 0 473.710 3.081 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305113704 1068190521 /nfs/dbraw/zinc/19/05/21/1068190521.db2.gz VZTIVRRPUAFMTM-FGZHOGPDSA-N 2 0 469.678 3.072 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305125714 1068212426 /nfs/dbraw/zinc/21/24/26/1068212426.db2.gz ZTVMZAMOKCPAQT-LEWJYISDSA-N 2 0 473.710 3.237 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001305134320 1068221650 /nfs/dbraw/zinc/22/16/50/1068221650.db2.gz DXHDEHKDHFJWLC-HFZDXXHNSA-N 2 0 476.710 3.217 20 0 JGADRP C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001303726330 1068278738 /nfs/dbraw/zinc/27/87/38/1068278738.db2.gz ATYIXHGWPIOIRN-FZOAFFARSA-N 2 0 482.652 3.211 20 0 JGADRP C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC001303729254 1068284579 /nfs/dbraw/zinc/28/45/79/1068284579.db2.gz YUEITVYGZLXDKI-NRFANRHFSA-N 2 0 472.653 3.287 20 0 JGADRP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC001303736666 1068295156 /nfs/dbraw/zinc/29/51/56/1068295156.db2.gz NBWUZEFSEBJGIZ-PWRODBHTSA-N 2 0 487.718 3.311 20 0 JGADRP C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC001303737354 1068295688 /nfs/dbraw/zinc/29/56/88/1068295688.db2.gz FUEDYFOGQGLKSH-MXEMCNAFSA-N 2 0 475.682 3.064 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001303744162 1068304007 /nfs/dbraw/zinc/30/40/07/1068304007.db2.gz AWVLKZAQXZVQFP-QGZVFWFLSA-N 2 0 464.456 3.298 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001303750665 1068310671 /nfs/dbraw/zinc/31/06/71/1068310671.db2.gz AOQKJXWFNIQYIN-OFVILXPXSA-N 2 0 462.683 3.017 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001303750666 1068310817 /nfs/dbraw/zinc/31/08/17/1068310817.db2.gz AOQKJXWFNIQYIN-PXDATVDWSA-N 2 0 462.683 3.017 20 0 JGADRP C[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303753887 1068316388 /nfs/dbraw/zinc/31/63/88/1068316388.db2.gz FJWCXUGSIXYZAP-IBGZPJMESA-N 2 0 461.054 3.487 20 0 JGADRP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC001303760783 1068327201 /nfs/dbraw/zinc/32/72/01/1068327201.db2.gz XMLCKLOJFYYHPV-QHCPKHFHSA-N 2 0 468.690 3.200 20 0 JGADRP C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303932541 1068591796 /nfs/dbraw/zinc/59/17/96/1068591796.db2.gz VTNSEZIYIOJSQH-UFYCRDLUSA-N 2 0 474.625 3.197 20 0 JGADRP C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303932538 1068591913 /nfs/dbraw/zinc/59/19/13/1068591913.db2.gz VTNSEZIYIOJSQH-AABGKKOBSA-N 2 0 474.625 3.197 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305459842 1068702350 /nfs/dbraw/zinc/70/23/50/1068702350.db2.gz SVQRGJJHPLVGLO-FKBYEOEOSA-N 2 0 457.667 3.292 20 0 JGADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001305512607 1068755496 /nfs/dbraw/zinc/75/54/96/1068755496.db2.gz GFBBMWIWSIOXEN-ZDXQCDESSA-N 2 0 481.689 3.055 20 0 JGADRP CC[C@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001305551988 1068831020 /nfs/dbraw/zinc/83/10/20/1068831020.db2.gz IBBFEEPIMFONLQ-GMAHTHKFSA-N 2 0 455.651 3.260 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305603757 1068868188 /nfs/dbraw/zinc/86/81/88/1068868188.db2.gz BZESTOBGJSGGAC-LJQANCHMSA-N 2 0 456.635 3.367 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305603756 1068868307 /nfs/dbraw/zinc/86/83/07/1068868307.db2.gz BZESTOBGJSGGAC-IBGZPJMESA-N 2 0 456.635 3.367 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001305611892 1068886918 /nfs/dbraw/zinc/88/69/18/1068886918.db2.gz AHEZSSCRTDZTRO-IBGZPJMESA-N 2 0 466.634 3.102 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001305613566 1068889245 /nfs/dbraw/zinc/88/92/45/1068889245.db2.gz WMUJIVCHVUNHNQ-RTWAWAEBSA-N 2 0 470.662 3.374 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305615610 1068893759 /nfs/dbraw/zinc/89/37/59/1068893759.db2.gz QIOIVJMOJKOIAO-QFIPXVFZSA-N 2 0 497.736 3.493 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001305619242 1068902984 /nfs/dbraw/zinc/90/29/84/1068902984.db2.gz FVIPTKPVAFSURT-PWRODBHTSA-N 2 0 456.635 3.269 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001305623911 1068916423 /nfs/dbraw/zinc/91/64/23/1068916423.db2.gz XCAMAJRPLUOOLI-PCCBWWKXSA-N 2 0 489.709 3.454 20 0 JGADRP CC[C@@H](c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001305664142 1069005887 /nfs/dbraw/zinc/00/58/87/1069005887.db2.gz NZEZFPYWGOSNLE-ZJSXRUAMSA-N 2 0 454.663 3.319 20 0 JGADRP CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC001305705119 1069092680 /nfs/dbraw/zinc/09/26/80/1069092680.db2.gz JDCZDFABYIHQPN-URXFXBBRSA-N 2 0 476.710 3.228 20 0 JGADRP CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC001305706717 1069096321 /nfs/dbraw/zinc/09/63/21/1069096321.db2.gz OTAOUYGMSLFUBH-JOCHJYFZSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)[NH+](C)C ZINC001305714232 1069117037 /nfs/dbraw/zinc/11/70/37/1069117037.db2.gz ZWPNSGHSPHVCAF-FGZHOGPDSA-N 2 0 459.683 3.050 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744094 1069182595 /nfs/dbraw/zinc/18/25/95/1069182595.db2.gz ZTSHTHPOKHEVMM-SFTDATJTSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305769531 1069245201 /nfs/dbraw/zinc/24/52/01/1069245201.db2.gz HDTWQYDOBBCNGB-YADHBBJMSA-N 2 0 459.683 3.136 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001305776896 1069261620 /nfs/dbraw/zinc/26/16/20/1069261620.db2.gz RQBSRJRIQIMJSS-NRFANRHFSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001305778279 1069265334 /nfs/dbraw/zinc/26/53/34/1069265334.db2.gz ANKLXJGBUJQXGR-HSZRJFAPSA-N 2 0 499.704 3.429 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305786928 1069291696 /nfs/dbraw/zinc/29/16/96/1069291696.db2.gz ZJSRTTPPIGYLMY-KNQAVFIVSA-N 2 0 461.699 3.237 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001305787456 1069294309 /nfs/dbraw/zinc/29/43/09/1069294309.db2.gz AFXCTEKMLMCAJT-XZOQPEGZSA-N 2 0 485.652 3.313 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@@H+]1CC ZINC001305787941 1069295698 /nfs/dbraw/zinc/29/56/98/1069295698.db2.gz QJXTZEJWZFPLIW-URXFXBBRSA-N 2 0 481.689 3.392 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164626082 719046851 /nfs/dbraw/zinc/04/68/51/719046851.db2.gz QMKRHLJZACAUTG-ZJVHSOCCSA-N 2 0 491.680 3.464 20 0 JGADRP C[N@@H+]1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]21 ZINC001164669272 719426034 /nfs/dbraw/zinc/42/60/34/719426034.db2.gz LMXLIZNSZWEVNY-VXKWHMMOSA-N 2 0 455.002 3.276 20 0 JGADRP C[N@@H+]1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]21 ZINC001164669276 719426139 /nfs/dbraw/zinc/42/61/39/719426139.db2.gz LMXLIZNSZWEVNY-YADHBBJMSA-N 2 0 455.002 3.276 20 0 JGADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)nc1 ZINC001164687759 719687369 /nfs/dbraw/zinc/68/73/69/719687369.db2.gz VDOOSAUNFACRGA-DEOSSOPVSA-N 2 0 479.673 3.490 20 0 JGADRP CCN(C)c1cc(C)[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747230 720867432 /nfs/dbraw/zinc/86/74/32/720867432.db2.gz ATIPPAMBYQUZHV-JYFHCDHNSA-N 2 0 450.631 3.391 20 0 JGADRP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164746453 720927510 /nfs/dbraw/zinc/92/75/10/720927510.db2.gz AFLBPZNSNRSUMW-LEAFIULHSA-N 2 0 492.668 3.005 20 0 JGADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164788010 721471660 /nfs/dbraw/zinc/47/16/60/721471660.db2.gz HPDKSDXJEHBAHB-QHCPKHFHSA-N 3 0 472.674 3.289 20 0 JGADRP Cc1nc(CN2CCO[C@@H]3CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164991727 722186280 /nfs/dbraw/zinc/18/62/80/722186280.db2.gz UPAHVSWPZLVOBG-DHIUTWEWSA-N 2 0 457.644 3.189 20 0 JGADRP CC(C)N(c1cccc(OCC[NH+]2CCCC2)n1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001164998281 722220495 /nfs/dbraw/zinc/22/04/95/722220495.db2.gz IBAZTHCUBRQFMK-UHFFFAOYSA-N 2 0 492.668 3.326 20 0 JGADRP CC(C)N(c1ccc(C[N@H+](C)C2CC2)cn1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001164996887 722220511 /nfs/dbraw/zinc/22/05/11/722220511.db2.gz BSPGUCVELCGPBE-UHFFFAOYSA-N 2 0 462.642 3.445 20 0 JGADRP CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+]1CCCC1 ZINC001305804619 1069330074 /nfs/dbraw/zinc/33/00/74/1069330074.db2.gz UOOXQPYAGXKMDJ-PKTZIBPZSA-N 2 0 473.710 3.383 20 0 JGADRP CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CC(C)C)CC2)[NH+](C)C)cc1 ZINC001305914279 1069469244 /nfs/dbraw/zinc/46/92/44/1069469244.db2.gz AITKKWZZWKEKGZ-QHCPKHFHSA-N 2 0 469.678 3.060 20 0 JGADRP CN(CC1COC(C)(C)OC1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001298583078 1064356137 /nfs/dbraw/zinc/35/61/37/1064356137.db2.gz IDMNLDAJWPIZMO-UHFFFAOYSA-N 2 0 485.677 3.018 20 0 JGADRP C[N@H+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC001298662503 1064439527 /nfs/dbraw/zinc/43/95/27/1064439527.db2.gz KAWCQCYGKDMHSN-UHFFFAOYSA-N 2 0 473.710 3.479 20 0 JGADRP COc1cc(-c2nnc(N3C[C@@H]4CCC[NH+]4C[C@H]3C)n2CCC[N@H+](C)C(C)C)cc(OC)c1OC ZINC001299842621 1065039187 /nfs/dbraw/zinc/03/91/87/1065039187.db2.gz AWPQTFNIFRICTL-CTNGQTDRSA-N 2 0 486.661 3.374 20 0 JGADRP COc1cc(-c2nnc(N3C[C@@H]4CCC[NH+]4C[C@@H]3C)n2CCC[N@H+](C)C(C)C)cc(OC)c1OC ZINC001299842622 1065039242 /nfs/dbraw/zinc/03/92/42/1065039242.db2.gz AWPQTFNIFRICTL-FPOVZHCZSA-N 2 0 486.661 3.374 20 0 JGADRP COc1cc(-c2nnc(N3C[C@H]4CCC[NH+]4C[C@@H]3C)n2CCC[N@H+](C)C(C)C)cc(OC)c1OC ZINC001299842623 1065039473 /nfs/dbraw/zinc/03/94/73/1065039473.db2.gz AWPQTFNIFRICTL-PZJWPPBQSA-N 2 0 486.661 3.374 20 0 JGADRP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001299908681 1065152690 /nfs/dbraw/zinc/15/26/90/1065152690.db2.gz ZBMPQXZFTPTXCM-IBGZPJMESA-N 2 0 491.080 3.496 20 0 JGADRP COc1cc(Cl)ccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCOCC[NH+](C)C ZINC001299908409 1065152703 /nfs/dbraw/zinc/15/27/03/1065152703.db2.gz UOGBNPNSBMPDNZ-UHFFFAOYSA-N 2 0 479.069 3.496 20 0 JGADRP COc1cc(OC)cc(-c2nnc(N3CC[NH+](CCc4cccs4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001299953194 1065233251 /nfs/dbraw/zinc/23/32/51/1065233251.db2.gz WLQIKUMRCANJJP-LJQANCHMSA-N 2 0 484.670 3.339 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492250153 1065349753 /nfs/dbraw/zinc/34/97/53/1065349753.db2.gz JDMCGOCRHXVKHB-IFMALSPDSA-N 2 0 453.635 3.162 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492391136 1065434525 /nfs/dbraw/zinc/43/45/25/1065434525.db2.gz NIQTYQOLXIKPTE-SMIHKQSGSA-N 2 0 483.705 3.110 20 0 JGADRP CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001301182464 1066012222 /nfs/dbraw/zinc/01/22/22/1066012222.db2.gz WIOHYFXTPGADON-JOCHJYFZSA-N 2 0 456.631 3.243 20 0 JGADRP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302001579 1066335409 /nfs/dbraw/zinc/33/54/09/1066335409.db2.gz TZDOHPZXPALOJT-YDLSIGKMSA-N 2 0 474.625 3.117 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302025524 1066384306 /nfs/dbraw/zinc/38/43/06/1066384306.db2.gz RSLIPYQHTVWCGF-QFIPXVFZSA-N 2 0 462.683 3.189 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302093278 1066521306 /nfs/dbraw/zinc/52/13/06/1066521306.db2.gz LLOYINCQIXYIQG-JOCHJYFZSA-N 2 0 462.683 3.333 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302093891 1066521750 /nfs/dbraw/zinc/52/17/50/1066521750.db2.gz XRGIEVMEKLHTEK-XPWALMASSA-N 2 0 462.683 3.045 20 0 JGADRP COCCN(C)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001301695078 1066583041 /nfs/dbraw/zinc/58/30/41/1066583041.db2.gz XYMQRJXMSNDNKO-UHFFFAOYSA-N 2 0 470.021 3.288 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[NH+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001301708298 1066600032 /nfs/dbraw/zinc/60/00/32/1066600032.db2.gz KYVKKOJVWUEOCD-GRSYGWAWSA-N 2 0 487.737 3.075 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301709048 1066601944 /nfs/dbraw/zinc/60/19/44/1066601944.db2.gz RUKPQQUVXLEWDI-ZCYQVOJMSA-N 2 0 487.737 3.122 20 0 JGADRP COCC[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301714392 1066615470 /nfs/dbraw/zinc/61/54/70/1066615470.db2.gz SYEYDOXJDOLVEM-UHFFFAOYSA-N 2 0 464.058 3.272 20 0 JGADRP COCC[N@H+](C)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301719564 1066621392 /nfs/dbraw/zinc/62/13/92/1066621392.db2.gz RUSNDKXXXNKKDM-UHFFFAOYSA-N 2 0 481.645 3.489 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC001301725326 1066639554 /nfs/dbraw/zinc/63/95/54/1066639554.db2.gz CZEAZLMMSGGVOZ-HXUWFJFHSA-N 2 0 452.603 3.135 20 0 JGADRP COCC[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001301733526 1066653840 /nfs/dbraw/zinc/65/38/40/1066653840.db2.gz GSVHUPSWBZAKGA-UHFFFAOYSA-N 2 0 458.626 3.041 20 0 JGADRP COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301874096 1066873997 /nfs/dbraw/zinc/87/39/97/1066873997.db2.gz DPZDQBSERWJZPF-OFNKIYASSA-N 2 0 497.688 3.036 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001301877740 1066880305 /nfs/dbraw/zinc/88/03/05/1066880305.db2.gz RDALBZQYWLHCOC-VQTJNVASSA-N 2 0 474.625 3.198 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001301888526 1066904267 /nfs/dbraw/zinc/90/42/67/1066904267.db2.gz RIWVKIUNYJJCLV-GOSISDBHSA-N 2 0 465.017 3.380 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001301892976 1066914223 /nfs/dbraw/zinc/91/42/23/1066914223.db2.gz XZOTWXIHWZKCQA-XZOQPEGZSA-N 2 0 454.663 3.470 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC001301895836 1066916852 /nfs/dbraw/zinc/91/68/52/1066916852.db2.gz APUHISMVAUVOMJ-FGZHOGPDSA-N 2 0 470.662 3.375 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001301896045 1066918073 /nfs/dbraw/zinc/91/80/73/1066918073.db2.gz DFWCKIYJULLVOZ-NHCUHLMSSA-N 2 0 491.080 3.112 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001301896435 1066919483 /nfs/dbraw/zinc/91/94/83/1066919483.db2.gz JVFGKMCPIOFSOB-IFMALSPDSA-N 2 0 452.603 3.306 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001301913944 1066943166 /nfs/dbraw/zinc/94/31/66/1066943166.db2.gz NSSGMOBLIZUPSR-LUKWVAJMSA-N 2 0 476.710 3.433 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001301918359 1066948259 /nfs/dbraw/zinc/94/82/59/1066948259.db2.gz ACNFQJBZSSSMKX-HXUWFJFHSA-N 2 0 458.626 3.039 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301918436 1066949119 /nfs/dbraw/zinc/94/91/19/1066949119.db2.gz BUGRBHJKKCYERM-SFTDATJTSA-N 2 0 475.081 3.411 20 0 JGADRP CON(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302358898 1066949959 /nfs/dbraw/zinc/94/99/59/1066949959.db2.gz VMGZPXCHDIRPTD-HSZRJFAPSA-N 2 0 469.678 3.008 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301922727 1066956334 /nfs/dbraw/zinc/95/63/34/1066956334.db2.gz YNSQDERUFIUWAT-QTJGBDASSA-N 2 0 468.690 3.455 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301924251 1066957988 /nfs/dbraw/zinc/95/79/88/1066957988.db2.gz TUPJEEINKLYFJL-ACRUOGEOSA-N 2 0 460.692 3.208 20 0 JGADRP CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC(C)(C)CN1CCOCC1)[NH+]1CCCC1 ZINC001302519790 1067139584 /nfs/dbraw/zinc/13/95/84/1067139584.db2.gz QSBOAZOPOXFQAJ-QHCPKHFHSA-N 2 0 471.694 3.199 20 0 JGADRP CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC(C)(C)CN1CCOCC1)[NH+]1CCCC1 ZINC001302519789 1067139677 /nfs/dbraw/zinc/13/96/77/1067139677.db2.gz QSBOAZOPOXFQAJ-HSZRJFAPSA-N 2 0 471.694 3.199 20 0 JGADRP CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[NH+](C)C ZINC001302802576 1067391163 /nfs/dbraw/zinc/39/11/63/1067391163.db2.gz FWEGRHWWXCYQQE-DNQXCXABSA-N 2 0 481.689 3.201 20 0 JGADRP CC(C)C[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC001302811695 1067399277 /nfs/dbraw/zinc/39/92/77/1067399277.db2.gz LAMHAOLMCKCOHQ-OAQYLSRUSA-N 2 0 456.635 3.223 20 0 JGADRP CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001302817802 1067405204 /nfs/dbraw/zinc/40/52/04/1067405204.db2.gz GBFKRHIYCWCQBJ-OAQYLSRUSA-N 2 0 490.643 3.424 20 0 JGADRP CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001302822061 1067410934 /nfs/dbraw/zinc/41/09/34/1067410934.db2.gz LEVOHRHUEWWODX-DHIUTWEWSA-N 2 0 474.719 3.455 20 0 JGADRP CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC001302824803 1067414315 /nfs/dbraw/zinc/41/43/15/1067414315.db2.gz UBAOMMYAIWMQMR-DNQXCXABSA-N 2 0 475.726 3.101 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001304376524 1067418048 /nfs/dbraw/zinc/41/80/48/1067418048.db2.gz ZMSQEVGZAUUOQR-NFBKMPQASA-N 2 0 497.688 3.036 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001304383156 1067431883 /nfs/dbraw/zinc/43/18/83/1067431883.db2.gz HHPQOMDDZZPAMW-QFIPXVFZSA-N 2 0 453.635 3.018 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C4CCCC4)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001304385670 1067438486 /nfs/dbraw/zinc/43/84/86/1067438486.db2.gz ZSCRCOGUVFHAOP-FQEVSTJZSA-N 2 0 453.635 3.162 20 0 JGADRP CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302897601 1067478632 /nfs/dbraw/zinc/47/86/32/1067478632.db2.gz YJUSCVGJSAHRGI-BJKOFHAPSA-N 2 0 459.727 3.203 20 0 JGADRP CC(C)Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCC[NH+]1CCCCC1 ZINC001302900432 1067482998 /nfs/dbraw/zinc/48/29/98/1067482998.db2.gz XEWLCWGRHCVGDU-UHFFFAOYSA-N 2 0 459.727 3.347 20 0 JGADRP CC(C)Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001302934386 1067508965 /nfs/dbraw/zinc/50/89/65/1067508965.db2.gz WZMWLRVVUBOSQT-UHFFFAOYSA-N 2 0 467.706 3.215 20 0 JGADRP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001302937058 1067510170 /nfs/dbraw/zinc/51/01/70/1067510170.db2.gz HWZQOUPRTJVGKQ-OAQYLSRUSA-N 2 0 470.691 3.287 20 0 JGADRP CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302939395 1067513395 /nfs/dbraw/zinc/51/33/95/1067513395.db2.gz YNFJCTXFQPJBEU-DEOSSOPVSA-N 2 0 454.663 3.135 20 0 JGADRP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302961976 1067533201 /nfs/dbraw/zinc/53/32/01/1067533201.db2.gz RBSUAOQIGWNBIM-XMMPIXPASA-N 2 0 481.733 3.461 20 0 JGADRP Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001304478815 1067557914 /nfs/dbraw/zinc/55/79/14/1067557914.db2.gz MIAPJYOFSHFISX-FGZHOGPDSA-N 2 0 469.678 3.314 20 0 JGADRP Cc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC2([NH+](C)C)CCC2)n1 ZINC001304480694 1067559934 /nfs/dbraw/zinc/55/99/34/1067559934.db2.gz RVQHRQBBKIQYFC-UHFFFAOYSA-N 2 0 495.594 3.224 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001304559102 1067628296 /nfs/dbraw/zinc/62/82/96/1067628296.db2.gz HXZLRSSWJAVHSH-UHFFFAOYSA-N 2 0 467.706 3.124 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001303196945 1067731518 /nfs/dbraw/zinc/73/15/18/1067731518.db2.gz QNKWUNVESYCPIZ-QFIPXVFZSA-N 2 0 453.660 3.406 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCC3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001303257272 1067784142 /nfs/dbraw/zinc/78/41/42/1067784142.db2.gz FEFFYHUBWGXCSF-UHFFFAOYSA-N 2 0 459.727 3.376 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303257910 1067784566 /nfs/dbraw/zinc/78/45/66/1067784566.db2.gz JIGDYZWFWAPIET-HSZRJFAPSA-N 2 0 476.710 3.312 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001303264596 1067792029 /nfs/dbraw/zinc/79/20/29/1067792029.db2.gz LVRHEZDHCZMOLC-QHCPKHFHSA-N 2 0 450.635 3.120 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(CCc2ccccc2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001303267543 1067794527 /nfs/dbraw/zinc/79/45/27/1067794527.db2.gz CRAXFLHDLICPHF-QHCPKHFHSA-N 2 0 468.690 3.483 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001303268342 1067795664 /nfs/dbraw/zinc/79/56/64/1067795664.db2.gz GCIFGSHPXSJFNN-DOTOQJQBSA-N 2 0 450.429 3.049 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001303268344 1067796443 /nfs/dbraw/zinc/79/64/43/1067796443.db2.gz GCIFGSHPXSJFNN-RDJZCZTQSA-N 2 0 450.429 3.049 20 0 JGADRP CC(C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC001303268536 1067796501 /nfs/dbraw/zinc/79/65/01/1067796501.db2.gz IXJQBERTSOSYNL-QFIPXVFZSA-N 2 0 490.656 3.366 20 0 JGADRP CC(C)[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001303269268 1067797969 /nfs/dbraw/zinc/79/79/69/1067797969.db2.gz WEXVSLMYIVBOAD-MDNUFGMLSA-N 2 0 472.682 3.113 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001303271230 1067800005 /nfs/dbraw/zinc/80/00/05/1067800005.db2.gz OVFZVMHSHPZFTP-QFIPXVFZSA-N 2 0 484.048 3.189 20 0 JGADRP CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC001303297763 1067821894 /nfs/dbraw/zinc/82/18/94/1067821894.db2.gz MUBACVCUYPPBOU-UHFFFAOYSA-N 2 0 481.689 3.232 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[NH+]2CCCO)CC1 ZINC001303307328 1067835199 /nfs/dbraw/zinc/83/51/99/1067835199.db2.gz APNOBVSQRCLJKD-HXUWFJFHSA-N 2 0 461.054 3.366 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001303310031 1067838333 /nfs/dbraw/zinc/83/83/33/1067838333.db2.gz DNTHRHKDYZDRMX-HSZRJFAPSA-N 2 0 497.471 3.151 20 0 JGADRP Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC001304822520 1067892475 /nfs/dbraw/zinc/89/24/75/1067892475.db2.gz PXWJXGSWFHQBBD-RUZDIDTESA-N 2 0 454.663 3.148 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001303369243 1067898760 /nfs/dbraw/zinc/89/87/60/1067898760.db2.gz MQDHYRMCVKNPDN-QFIPXVFZSA-N 2 0 459.683 3.137 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[NH+](C3CCCC3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001303396936 1067925543 /nfs/dbraw/zinc/92/55/43/1067925543.db2.gz YQDJFBMUVNMBIC-UHFFFAOYSA-N 2 0 485.652 3.142 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303397447 1067925944 /nfs/dbraw/zinc/92/59/44/1067925944.db2.gz JZMXNVZOOZWKTD-UHFFFAOYSA-N 2 0 499.679 3.390 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001303405184 1067933362 /nfs/dbraw/zinc/93/33/62/1067933362.db2.gz KHKJFDKACSFAEI-UHFFFAOYSA-N 2 0 467.662 3.003 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001303410138 1067936642 /nfs/dbraw/zinc/93/66/42/1067936642.db2.gz QAXZHNPOGNJWAK-JOCHJYFZSA-N 2 0 483.705 3.495 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304924813 1067967792 /nfs/dbraw/zinc/96/77/92/1067967792.db2.gz KTHPKJXPEUADSX-ZRZAMGCNSA-N 2 0 473.710 3.193 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304925158 1067968118 /nfs/dbraw/zinc/96/81/18/1067968118.db2.gz LCHGAZLTOXQZHY-ZRZAMGCNSA-N 2 0 487.737 3.439 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(F)(F)F)CC1 ZINC001303464890 1067983813 /nfs/dbraw/zinc/98/38/13/1067983813.db2.gz BGHUTIAYYRRDTR-UHFFFAOYSA-N 2 0 479.595 3.172 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001303467888 1067986997 /nfs/dbraw/zinc/98/69/97/1067986997.db2.gz MEOBDXLYFRKWDV-DHIUTWEWSA-N 2 0 489.753 3.190 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304980175 1068018862 /nfs/dbraw/zinc/01/88/62/1068018862.db2.gz GPZMLCRJAIZZOX-XPPIMPSXSA-N 2 0 473.710 3.045 20 0 JGADRP C[C@@H]1CCC[C@@](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)([NH+](C)C)C1 ZINC001304982383 1068023649 /nfs/dbraw/zinc/02/36/49/1068023649.db2.gz AHHSFMWPHBMMAK-AJTFRIOCSA-N 2 0 487.737 3.122 20 0 JGADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)C1 ZINC001305014299 1068055514 /nfs/dbraw/zinc/05/55/14/1068055514.db2.gz QMTYQPXOZJVICB-VXKWHMMOSA-N 2 0 455.651 3.009 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001305024394 1068077952 /nfs/dbraw/zinc/07/79/52/1068077952.db2.gz YVUCPELJTZGXRK-IFMALSPDSA-N 2 0 473.710 3.296 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001305024397 1068078158 /nfs/dbraw/zinc/07/81/58/1068078158.db2.gz YVUCPELJTZGXRK-UNMCSNQZSA-N 2 0 473.710 3.296 20 0 JGADRP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC001305026930 1068083405 /nfs/dbraw/zinc/08/34/05/1068083405.db2.gz SCWSMLGNLCMERM-FGZHOGPDSA-N 2 0 470.710 3.433 20 0 JGADRP CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001305047433 1068105856 /nfs/dbraw/zinc/10/58/56/1068105856.db2.gz GQBPDGXCBIWBPO-JOCHJYFZSA-N 2 0 459.727 3.302 20 0 JGADRP CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001305047434 1068105968 /nfs/dbraw/zinc/10/59/68/1068105968.db2.gz GQBPDGXCBIWBPO-QFIPXVFZSA-N 2 0 459.727 3.302 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001305053627 1068117459 /nfs/dbraw/zinc/11/74/59/1068117459.db2.gz ZDVOTTAAKJLSJT-OAQYLSRUSA-N 2 0 488.702 3.001 20 0 JGADRP C[C@@H]1CCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001305061010 1068125775 /nfs/dbraw/zinc/12/57/75/1068125775.db2.gz XLMRGPGZOFAHHV-FYYLOGMGSA-N 2 0 454.663 3.207 20 0 JGADRP C[C@@H]1CCC[N@@H+]1CCn1c(N(C)CC[NH+]2CCN(c3ccccc3)CC2)nnc1C(C)(C)C ZINC001305061488 1068126978 /nfs/dbraw/zinc/12/69/78/1068126978.db2.gz HNOHNRSMGHZIFJ-JOCHJYFZSA-N 2 0 453.679 3.318 20 0 JGADRP C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC001305096214 1068163359 /nfs/dbraw/zinc/16/33/59/1068163359.db2.gz SAKPLGKCJURBKD-ZLNRFVROSA-N 2 0 453.679 3.075 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305104259 1068171992 /nfs/dbraw/zinc/17/19/92/1068171992.db2.gz SRIVLFRPJWIPNB-UHFFFAOYSA-N 2 0 461.699 3.097 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001305105857 1068173633 /nfs/dbraw/zinc/17/36/33/1068173633.db2.gz FLWAUDNNJQRQBY-DHIUTWEWSA-N 2 0 473.710 3.097 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001305110084 1068180762 /nfs/dbraw/zinc/18/07/62/1068180762.db2.gz VWJCOUJZGQIINJ-JOCHJYFZSA-N 2 0 454.667 3.414 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305112383 1068186637 /nfs/dbraw/zinc/18/66/37/1068186637.db2.gz LGDUVXZCRUXVLD-NHCUHLMSSA-N 2 0 488.652 3.414 20 0 JGADRP C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001305113261 1068189362 /nfs/dbraw/zinc/18/93/62/1068189362.db2.gz SKCQDSAPRDQWEX-BDTNDASRSA-N 2 0 476.710 3.371 20 0 JGADRP C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CCC2)CC1)[NH+](C)C ZINC001303694830 1068237855 /nfs/dbraw/zinc/23/78/55/1068237855.db2.gz GBPGSAPRZQRLHB-AWEZNQCLSA-N 2 0 453.454 3.394 20 0 JGADRP CC(C)[NH+]1CCN(C2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@H](C)[NH+](C)C)CC2)CC1 ZINC001303743244 1068302299 /nfs/dbraw/zinc/30/22/99/1068302299.db2.gz MSXMQUSQPVWMAX-QPTUXGOLSA-N 2 0 489.753 3.142 20 0 JGADRP C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303756227 1068319928 /nfs/dbraw/zinc/31/99/28/1068319928.db2.gz RJGKEIZQWNTISX-LJQANCHMSA-N 2 0 476.069 3.272 20 0 JGADRP CC[C@H](C)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001305424125 1068659534 /nfs/dbraw/zinc/65/95/34/1068659534.db2.gz ZFEGQJDKWCLBGS-LEWJYISDSA-N 2 0 455.651 3.403 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305447189 1068681044 /nfs/dbraw/zinc/68/10/44/1068681044.db2.gz YWCGESFFTIJKHQ-ZLNRFVROSA-N 2 0 489.753 3.143 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305456486 1068695762 /nfs/dbraw/zinc/69/57/62/1068695762.db2.gz FOEDTSQAHKAXQV-QTJGBDASSA-N 2 0 453.679 3.311 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305539239 1068806756 /nfs/dbraw/zinc/80/67/56/1068806756.db2.gz DFCSPQBYPJDYTG-QPPBQGQZSA-N 2 0 454.663 3.269 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305540806 1068810309 /nfs/dbraw/zinc/81/03/09/1068810309.db2.gz LMXAPVCBSNWGLM-ZDXQCDESSA-N 2 0 454.663 3.349 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544259 1068819715 /nfs/dbraw/zinc/81/97/15/1068819715.db2.gz GMQUANTYWLMGES-VXKWHMMOSA-N 2 0 476.710 3.372 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305544333 1068820493 /nfs/dbraw/zinc/82/04/93/1068820493.db2.gz OWMIXMIEMRCHJB-IFMALSPDSA-N 2 0 458.626 3.221 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546020 1068824637 /nfs/dbraw/zinc/82/46/37/1068824637.db2.gz QEPWAFZSTMUSPV-GOTSBHOMSA-N 2 0 476.710 3.231 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001305551987 1068831254 /nfs/dbraw/zinc/83/12/54/1068831254.db2.gz IBBFEEPIMFONLQ-GGAORHGYSA-N 2 0 455.651 3.260 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001305602161 1068864683 /nfs/dbraw/zinc/86/46/83/1068864683.db2.gz APLHQJYLJYPWNX-LEWJYISDSA-N 2 0 455.651 3.408 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305603252 1068867284 /nfs/dbraw/zinc/86/72/84/1068867284.db2.gz AHAAPWBDVHOKFI-QUCCMNQESA-N 2 0 462.042 3.025 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001305609565 1068882540 /nfs/dbraw/zinc/88/25/40/1068882540.db2.gz WBWIXUSYZCFOMP-LJQANCHMSA-N 2 0 476.069 3.272 20 0 JGADRP CC[C@@H](c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001305664141 1069005964 /nfs/dbraw/zinc/00/59/64/1069005964.db2.gz NZEZFPYWGOSNLE-XUZZJYLKSA-N 2 0 454.663 3.319 20 0 JGADRP CC[C@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001305670579 1069016932 /nfs/dbraw/zinc/01/69/32/1069016932.db2.gz LHMQMNJWAHGJKL-NVQXNPDNSA-N 2 0 454.663 3.197 20 0 JGADRP CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678323 1069034924 /nfs/dbraw/zinc/03/49/24/1069034924.db2.gz RURYHNZSSKBSLZ-ZJSXRUAMSA-N 2 0 454.663 3.197 20 0 JGADRP CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001305709129 1069102704 /nfs/dbraw/zinc/10/27/04/1069102704.db2.gz ACFVPDGLRFOFBL-LEWJYISDSA-N 2 0 461.699 3.154 20 0 JGADRP CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001305710903 1069108874 /nfs/dbraw/zinc/10/88/74/1069108874.db2.gz XQPGCLYEYYJPGJ-RPBOFIJWSA-N 2 0 495.716 3.363 20 0 JGADRP CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)[NH+](C)C ZINC001305714233 1069117172 /nfs/dbraw/zinc/11/71/72/1069117172.db2.gz ZWPNSGHSPHVCAF-VXKWHMMOSA-N 2 0 459.683 3.050 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305772714 1069251727 /nfs/dbraw/zinc/25/17/27/1069251727.db2.gz JZCOMDFXLVIAKU-NHCUHLMSSA-N 2 0 491.725 3.006 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001305778695 1069266793 /nfs/dbraw/zinc/26/67/93/1069266793.db2.gz HTRQZSOPDFAOCW-UHFFFAOYSA-N 2 0 461.699 3.239 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@@H+]1CC ZINC001305787942 1069295531 /nfs/dbraw/zinc/29/55/31/1069295531.db2.gz QJXTZEJWZFPLIW-XUZZJYLKSA-N 2 0 481.689 3.392 20 0 JGADRP Clc1ncc2c(c1N1CC[C@@H]3[NH2+]CCO[C@H]3C1)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164388355 718824131 /nfs/dbraw/zinc/82/41/31/718824131.db2.gz AVWRCPJKJMSGQF-VXKWHMMOSA-N 2 0 455.002 3.324 20 0 JGADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164433111 718971850 /nfs/dbraw/zinc/97/18/50/718971850.db2.gz JVPKIZUDNXDLQJ-RBUKOAKNSA-N 2 0 494.892 3.178 20 0 JGADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164433112 718972032 /nfs/dbraw/zinc/97/20/32/718972032.db2.gz JVPKIZUDNXDLQJ-RTBURBONSA-N 2 0 494.892 3.178 20 0 JGADRP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164614306 719016898 /nfs/dbraw/zinc/01/68/98/719016898.db2.gz DZEFLDNFNZCXIX-OIBXWCBGSA-N 2 0 497.039 3.486 20 0 JGADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164713860 720156196 /nfs/dbraw/zinc/15/61/96/720156196.db2.gz MCGSUWCNFKLFMX-XMMPIXPASA-N 2 0 465.642 3.363 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164729290 720416731 /nfs/dbraw/zinc/41/67/31/720416731.db2.gz GQPCXUIEVLGNNV-NQHRYMMQSA-N 2 0 492.668 3.129 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCOC[C@@]4(C[C@H](CNc5cccc(F)c5)CO4)C3)c2)CC1 ZINC001164724819 720496114 /nfs/dbraw/zinc/49/61/14/720496114.db2.gz IDHFPHOFROFFPH-FQRUVTKNSA-N 2 0 470.589 3.418 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCOC[C@]4(C[C@H](CNc5cccc(F)c5)CO4)C3)c2)CC1 ZINC001164724820 720496580 /nfs/dbraw/zinc/49/65/80/720496580.db2.gz IDHFPHOFROFFPH-IBVKSMDESA-N 2 0 470.589 3.418 20 0 JGADRP C[C@H]1CCCN1C(=O)c1nn(-c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164850655 720805783 /nfs/dbraw/zinc/80/57/83/720805783.db2.gz VQUHNZSPXHVTRB-IBGZPJMESA-N 2 0 456.594 3.096 20 0 JGADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2nccc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164751780 720899142 /nfs/dbraw/zinc/89/91/42/720899142.db2.gz DOZKLDYMQJQATC-RPLLCQBOSA-N 2 0 462.642 3.094 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)C[C@H](NC(=O)c3ccccc3)CCO4)c2)CC1 ZINC001164863697 720902380 /nfs/dbraw/zinc/90/23/80/720902380.db2.gz YRVJCAGULGTQIX-RLWLMLJZSA-N 2 0 450.583 3.113 20 0 JGADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164746452 720926811 /nfs/dbraw/zinc/92/68/11/720926811.db2.gz AFLBPZNSNRSUMW-LBNVMWSVSA-N 2 0 492.668 3.005 20 0 JGADRP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164746454 720927628 /nfs/dbraw/zinc/92/76/28/720927628.db2.gz AFLBPZNSNRSUMW-LSYYVWMOSA-N 2 0 492.668 3.005 20 0 JGADRP CCOC(=O)c1c[nH]c2cc(N3CCC4(C[C@H](COCC5CC5)[N@H+](CCOC)C4)CC3)[nH+]cc21 ZINC001164791646 721465094 /nfs/dbraw/zinc/46/50/94/721465094.db2.gz XEAJCQAHOOSMPW-HXUWFJFHSA-N 2 0 470.614 3.474 20 0 JGADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164788006 721471261 /nfs/dbraw/zinc/47/12/61/721471261.db2.gz HPDKSDXJEHBAHB-HSZRJFAPSA-N 3 0 472.674 3.289 20 0 JGADRP Cc1nc(Cn2c(=O)ccc3c2CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)cs1 ZINC001164951828 722007391 /nfs/dbraw/zinc/00/73/91/722007391.db2.gz JLRSVSRBJNCLSG-UHFFFAOYSA-N 2 0 465.623 3.135 20 0 JGADRP CC(C)N(c1ncccc1C[NH+]1CCCC1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001165000748 722220660 /nfs/dbraw/zinc/22/06/60/722220660.db2.gz YIMNOFQDNHOLIR-UHFFFAOYSA-N 2 0 462.642 3.447 20 0 JGADRP CN(CC(C)(C)C)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001298229806 1064138710 /nfs/dbraw/zinc/13/87/10/1064138710.db2.gz IFOGIIOGJLOHIH-OAQYLSRUSA-N 2 0 455.651 3.262 20 0 JGADRP C[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001298706224 1064511317 /nfs/dbraw/zinc/51/13/17/1064511317.db2.gz QXCWAENTQUNRBQ-NRFANRHFSA-N 2 0 459.683 3.052 20 0 JGADRP C[N@H+](CCN1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC001298727878 1064538127 /nfs/dbraw/zinc/53/81/27/1064538127.db2.gz ISAYEIZTLHWNTB-UHFFFAOYSA-N 2 0 467.706 3.316 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001492241623 1065340489 /nfs/dbraw/zinc/34/04/89/1065340489.db2.gz YZCCZEDKAKGNTQ-HSZRJFAPSA-N 2 0 497.688 3.036 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492267200 1065362987 /nfs/dbraw/zinc/36/29/87/1065362987.db2.gz PQSMFDRGYKJSGG-WIYYLYMNSA-N 2 0 467.662 3.408 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492391137 1065434431 /nfs/dbraw/zinc/43/44/31/1065434431.db2.gz NIQTYQOLXIKPTE-TZRRMPRUSA-N 2 0 483.705 3.110 20 0 JGADRP CO[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)CC1(C)C ZINC001300840886 1065578908 /nfs/dbraw/zinc/57/89/08/1065578908.db2.gz MPZWENGATFGRCK-XMMPIXPASA-N 2 0 497.732 3.092 20 0 JGADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001301016129 1065850327 /nfs/dbraw/zinc/85/03/27/1065850327.db2.gz HXZDOWYNXCDZDR-VXNXHJTFSA-N 2 0 469.029 3.012 20 0 JGADRP COCC[C@H]1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001301503433 1066329104 /nfs/dbraw/zinc/32/91/04/1066329104.db2.gz LYWBDBFJUOJEMZ-OAQYLSRUSA-N 2 0 455.651 3.046 20 0 JGADRP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302001576 1066335862 /nfs/dbraw/zinc/33/58/62/1066335862.db2.gz TZDOHPZXPALOJT-JFSTXAPLSA-N 2 0 474.625 3.117 20 0 JGADRP CC(C)(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CCC[NH+]1CCCCC1 ZINC001302049999 1066434236 /nfs/dbraw/zinc/43/42/36/1066434236.db2.gz BVWJTRJJLVACHF-UHFFFAOYSA-N 2 0 487.737 3.270 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001302054162 1066446611 /nfs/dbraw/zinc/44/66/11/1066446611.db2.gz LDLPEQAUVFTNAO-ODAXIHTASA-N 2 0 462.683 3.187 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302057309 1066454222 /nfs/dbraw/zinc/45/42/22/1066454222.db2.gz YAJXNDODZLLBNB-VJBWXMMDSA-N 2 0 462.683 3.187 20 0 JGADRP CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001302079088 1066493392 /nfs/dbraw/zinc/49/33/92/1066493392.db2.gz GVYRHWWZOKTXII-UHFFFAOYSA-N 2 0 454.663 3.135 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001302080413 1066496579 /nfs/dbraw/zinc/49/65/79/1066496579.db2.gz PDJYQYGDQYSXOB-LEWJYISDSA-N 2 0 450.672 3.043 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301706967 1066597060 /nfs/dbraw/zinc/59/70/60/1066597060.db2.gz AAUVPHPPWYSVPM-DHLKQENFSA-N 2 0 473.710 3.012 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001301707689 1066598074 /nfs/dbraw/zinc/59/80/74/1066598074.db2.gz FBESJJZVEFQDAC-ZJSXRUAMSA-N 2 0 473.710 3.043 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001301707686 1066598532 /nfs/dbraw/zinc/59/85/32/1066598532.db2.gz FBESJJZVEFQDAC-QPPBQGQZSA-N 2 0 473.710 3.043 20 0 JGADRP COCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001301731016 1066649865 /nfs/dbraw/zinc/64/98/65/1066649865.db2.gz IWDBYMYSCNTNAE-GOTSBHOMSA-N 2 0 462.683 3.190 20 0 JGADRP COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301874095 1066874237 /nfs/dbraw/zinc/87/42/37/1066874237.db2.gz DPZDQBSERWJZPF-NZQKXSOJSA-N 2 0 497.688 3.036 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001301874374 1066874755 /nfs/dbraw/zinc/87/47/55/1066874755.db2.gz HULPRYDOIHLMCL-URXFXBBRSA-N 2 0 470.662 3.404 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001301897407 1066921478 /nfs/dbraw/zinc/92/14/78/1066921478.db2.gz VYUSRMSOGOUOJK-OAQYLSRUSA-N 2 0 458.626 3.363 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913054 1066941282 /nfs/dbraw/zinc/94/12/82/1066941282.db2.gz SJLOIZQBSRQENT-ZCYQVOJMSA-N 2 0 498.716 3.315 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001301918770 1066949939 /nfs/dbraw/zinc/94/99/39/1066949939.db2.gz COFSZEDUYIPWPX-HSZRJFAPSA-N 2 0 454.663 3.210 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001301927360 1066962056 /nfs/dbraw/zinc/96/20/56/1066962056.db2.gz DCMFDZUVEOLAHR-HSZRJFAPSA-N 2 0 470.662 3.198 20 0 JGADRP Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304029753 1067077528 /nfs/dbraw/zinc/07/75/28/1067077528.db2.gz MLASYWAQFDMJPX-MDNUFGMLSA-N 2 0 470.662 3.144 20 0 JGADRP Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304175596 1067224728 /nfs/dbraw/zinc/22/47/28/1067224728.db2.gz VZFJCTMSAAFGHP-RUZDIDTESA-N 2 0 497.732 3.419 20 0 JGADRP CC(C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302634651 1067263567 /nfs/dbraw/zinc/26/35/67/1067263567.db2.gz XHOUYXPJVXOXRR-BJKOFHAPSA-N 2 0 471.669 3.448 20 0 JGADRP Cc1ccc(C)c(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001304289802 1067335941 /nfs/dbraw/zinc/33/59/41/1067335941.db2.gz YKBULLDNNBQLIT-UHFFFAOYSA-N 2 0 484.689 3.241 20 0 JGADRP Cc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H]2C)o1 ZINC001304324710 1067373086 /nfs/dbraw/zinc/37/30/86/1067373086.db2.gz QWHNHAWPKVBGBG-GOSISDBHSA-N 2 0 484.567 3.422 20 0 JGADRP CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC001302820914 1067408691 /nfs/dbraw/zinc/40/86/91/1067408691.db2.gz SCSLGKITHPMQNN-UKILVPOCSA-N 2 0 489.753 3.143 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001304376528 1067417986 /nfs/dbraw/zinc/41/79/86/1067417986.db2.gz ZMSQEVGZAUUOQR-OFNKIYASSA-N 2 0 497.688 3.036 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304411001 1067478137 /nfs/dbraw/zinc/47/81/37/1067478137.db2.gz NLZPFMXRZAZDQE-RUZDIDTESA-N 2 0 484.689 3.489 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](C4CCOCC4)C[C@H]3C)n2CC[N@@H+](C)C(C)C)cc1 ZINC001304417861 1067490697 /nfs/dbraw/zinc/49/06/97/1067490697.db2.gz FSSDEENPHKBXEH-JOCHJYFZSA-N 2 0 470.662 3.195 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001304419690 1067494595 /nfs/dbraw/zinc/49/45/95/1067494595.db2.gz OZCTUHRLENYULG-RUZDIDTESA-N 2 0 484.689 3.300 20 0 JGADRP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001302938597 1067512302 /nfs/dbraw/zinc/51/23/02/1067512302.db2.gz JESWKNFHSCEBIP-WXFUMESZSA-N 2 0 460.711 3.393 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302961111 1067532090 /nfs/dbraw/zinc/53/20/90/1067532090.db2.gz INCPEWIALRHVRB-UPVQGACJSA-N 2 0 454.663 3.034 20 0 JGADRP Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001304497175 1067573149 /nfs/dbraw/zinc/57/31/49/1067573149.db2.gz ZPLUMKMSOKOKPG-UHFFFAOYSA-N 2 0 490.656 3.286 20 0 JGADRP Cc1cccc(OCc2nnc(N3CC[NH+](C4CCOCC4)C[C@H]3C)n2CC[N@@H+](C)C(C)C)c1 ZINC001304511838 1067587801 /nfs/dbraw/zinc/58/78/01/1067587801.db2.gz IDKVXBOGLNGYFK-JOCHJYFZSA-N 2 0 470.662 3.195 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304558672 1067627581 /nfs/dbraw/zinc/62/75/81/1067627581.db2.gz BSIQDESHZXMDHM-VWLOTQADSA-N 2 0 456.704 3.393 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001304560715 1067630764 /nfs/dbraw/zinc/63/07/64/1067630764.db2.gz WRWJNSZBZRMEIY-DEOSSOPVSA-N 2 0 468.690 3.456 20 0 JGADRP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001303175079 1067708533 /nfs/dbraw/zinc/70/85/33/1067708533.db2.gz HGNADKBIFWJMNA-JOCHJYFZSA-N 2 0 473.710 3.193 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(C(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001303182456 1067714349 /nfs/dbraw/zinc/71/43/49/1067714349.db2.gz LOAHIFXEHGTAID-UHFFFAOYSA-N 2 0 453.679 3.392 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOCC[NH+](C)C)CC1 ZINC001303184546 1067718029 /nfs/dbraw/zinc/71/80/29/1067718029.db2.gz SUGHQRYAUYEWEK-HXUWFJFHSA-N 2 0 474.719 3.488 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001303185147 1067719511 /nfs/dbraw/zinc/71/95/11/1067719511.db2.gz UQHYOYIVSFNPRD-PLXFJCCSSA-N 2 0 476.710 3.217 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001303185164 1067719635 /nfs/dbraw/zinc/71/96/35/1067719635.db2.gz UYINFZFZWDQSLX-IBGZPJMESA-N 2 0 464.456 3.154 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001303199023 1067734950 /nfs/dbraw/zinc/73/49/50/1067734950.db2.gz SOZCCDFOYIEXAQ-UHFFFAOYSA-N 2 0 487.718 3.312 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001303208040 1067746258 /nfs/dbraw/zinc/74/62/58/1067746258.db2.gz WFFQFWTZLUDQIH-VWLOTQADSA-N 2 0 483.705 3.177 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001303257095 1067784190 /nfs/dbraw/zinc/78/41/90/1067784190.db2.gz RLYVAOSRJLVPOS-UHFFFAOYSA-N 2 0 482.721 3.170 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001303271227 1067799586 /nfs/dbraw/zinc/79/95/86/1067799586.db2.gz OVFZVMHSHPZFTP-JOCHJYFZSA-N 2 0 484.048 3.189 20 0 JGADRP CC(C)[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001303275747 1067803588 /nfs/dbraw/zinc/80/35/88/1067803588.db2.gz FURNYZPHSHHXKX-UHFFFAOYSA-N 2 0 476.616 3.036 20 0 JGADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303278900 1067807906 /nfs/dbraw/zinc/80/79/06/1067807906.db2.gz UKJDNUATLMSELE-FQEVSTJZSA-N 2 0 463.671 3.221 20 0 JGADRP CC(C)[N@@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001303305187 1067832783 /nfs/dbraw/zinc/83/27/83/1067832783.db2.gz OTVHLCNFBCJIEI-FQEVSTJZSA-N 2 0 487.718 3.311 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CC=CCC2)CC1 ZINC001303305655 1067833884 /nfs/dbraw/zinc/83/38/84/1067833884.db2.gz UCNXDUKKBIAPAH-UHFFFAOYSA-N 2 0 476.467 3.229 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001303307659 1067835700 /nfs/dbraw/zinc/83/57/00/1067835700.db2.gz GRYZBKDCQHBOMN-UHFFFAOYSA-N 2 0 489.112 3.188 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304755301 1067837653 /nfs/dbraw/zinc/83/76/53/1067837653.db2.gz ADTLQNFXBUTURC-DEOSSOPVSA-N 2 0 470.710 3.428 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001303310032 1067838166 /nfs/dbraw/zinc/83/81/66/1067838166.db2.gz DNTHRHKDYZDRMX-QHCPKHFHSA-N 2 0 497.471 3.151 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001303312084 1067841603 /nfs/dbraw/zinc/84/16/03/1067841603.db2.gz YDMQWMFRAAGDDT-OAQYLSRUSA-N 2 0 488.702 3.144 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001303317446 1067846466 /nfs/dbraw/zinc/84/64/66/1067846466.db2.gz OEWQPTIJEGWVLI-UHFFFAOYSA-N 3 0 468.694 3.004 20 0 JGADRP CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001303317722 1067847126 /nfs/dbraw/zinc/84/71/26/1067847126.db2.gz BRJDFOHRCOYPFY-BJKOFHAPSA-N 2 0 475.726 3.243 20 0 JGADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001303317676 1067847155 /nfs/dbraw/zinc/84/71/55/1067847155.db2.gz ABBOPEARTBWSMR-HSZRJFAPSA-N 2 0 489.753 3.071 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303318002 1067848238 /nfs/dbraw/zinc/84/82/38/1067848238.db2.gz WUSUIJQWGVLLGW-QHCPKHFHSA-N 2 0 451.594 3.236 20 0 JGADRP CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001303318503 1067849646 /nfs/dbraw/zinc/84/96/46/1067849646.db2.gz SXEYTRAUOGOELY-UHFFFAOYSA-N 2 0 497.736 3.239 20 0 JGADRP Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccccc1C[NH+]1CCC[C@H]1CO ZINC001304822522 1067892644 /nfs/dbraw/zinc/89/26/44/1067892644.db2.gz PXWJXGSWFHQBBD-VWLOTQADSA-N 2 0 454.663 3.148 20 0 JGADRP Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001304825026 1067894314 /nfs/dbraw/zinc/89/43/14/1067894314.db2.gz FPOSOYFRSHOBLS-URXFXBBRSA-N 2 0 453.679 3.321 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001303366192 1067894475 /nfs/dbraw/zinc/89/44/75/1067894475.db2.gz JYUDKLQNTHYZMX-HSZRJFAPSA-N 2 0 469.678 3.276 20 0 JGADRP Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001304861408 1067910490 /nfs/dbraw/zinc/91/04/90/1067910490.db2.gz SPTZFHQVQOHRQJ-QFIPXVFZSA-N 2 0 453.679 3.355 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001303396450 1067923809 /nfs/dbraw/zinc/92/38/09/1067923809.db2.gz GHEYAFKMTKPATN-UHFFFAOYSA-N 2 0 481.689 3.371 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001303405366 1067933694 /nfs/dbraw/zinc/93/36/94/1067933694.db2.gz RGLWOAYXEUOUOX-UHFFFAOYSA-N 2 0 467.662 3.003 20 0 JGADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(N3CC[NH+](C[C@H]4CCOC4)CC3)nnc2C(C)(C)C)C1 ZINC001304910812 1067954132 /nfs/dbraw/zinc/95/41/32/1067954132.db2.gz IZASEUSJXVARHQ-YPAWHYETSA-N 2 0 460.711 3.491 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)CCOC1 ZINC001303503274 1068034413 /nfs/dbraw/zinc/03/44/13/1068034413.db2.gz BZSDCSBYTOKMEF-QFQXNSOFSA-N 2 0 476.710 3.360 20 0 JGADRP C[C@H]1CCC[N@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001305042702 1068098298 /nfs/dbraw/zinc/09/82/98/1068098298.db2.gz KICDFIVSVCQGLW-QHCPKHFHSA-N 2 0 487.737 3.471 20 0 JGADRP C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305058937 1068122237 /nfs/dbraw/zinc/12/22/37/1068122237.db2.gz JNTMYIWAEPAERE-FQEVSTJZSA-N 2 0 488.702 3.144 20 0 JGADRP C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001305060860 1068125850 /nfs/dbraw/zinc/12/58/50/1068125850.db2.gz BGVHEORQQKSFNQ-NRFANRHFSA-N 2 0 454.667 3.414 20 0 JGADRP CC(C)c1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001305106992 1068175125 /nfs/dbraw/zinc/17/51/25/1068175125.db2.gz LVYFJBDUHPCSHM-UHFFFAOYSA-N 2 0 467.706 3.387 20 0 JGADRP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305114520 1068192447 /nfs/dbraw/zinc/19/24/47/1068192447.db2.gz ZHTZDBVBAJLCTO-HKBOAZHASA-N 2 0 476.710 3.153 20 0 JGADRP C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303662537 1068193218 /nfs/dbraw/zinc/19/32/18/1068193218.db2.gz GPKXWUPNSKKJPE-OAQYLSRUSA-N 2 0 459.683 3.089 20 0 JGADRP C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC001303663717 1068195517 /nfs/dbraw/zinc/19/55/17/1068195517.db2.gz OQFBCWJWIBNLKQ-JOCHJYFZSA-N 2 0 481.689 3.345 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305125717 1068212969 /nfs/dbraw/zinc/21/29/69/1068212969.db2.gz ZTVMZAMOKCPAQT-SFTDATJTSA-N 2 0 473.710 3.237 20 0 JGADRP C[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[NH+](C)C ZINC001303735195 1068292318 /nfs/dbraw/zinc/29/23/18/1068292318.db2.gz WFCJRNIKQJSKNN-FIPFOOKPSA-N 2 0 497.732 3.234 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303752815 1068314338 /nfs/dbraw/zinc/31/43/38/1068314338.db2.gz UDBJGQJIRLQULW-NVQXNPDNSA-N 2 0 476.710 3.361 20 0 JGADRP C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001303753304 1068314815 /nfs/dbraw/zinc/31/48/15/1068314815.db2.gz WAVJUTZDUIQMNJ-HXUWFJFHSA-N 2 0 487.718 3.312 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303755321 1068318496 /nfs/dbraw/zinc/31/84/96/1068318496.db2.gz VWOZFINHUXXQFG-ZEQKJWHPSA-N 2 0 476.710 3.361 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305224602 1068366729 /nfs/dbraw/zinc/36/67/29/1068366729.db2.gz YBOZSJPOXWZRLP-GOTSBHOMSA-N 2 0 454.663 3.093 20 0 JGADRP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305399823 1068642070 /nfs/dbraw/zinc/64/20/70/1068642070.db2.gz SWYLBNCFLWBHLJ-NVQXNPDNSA-N 2 0 485.746 3.487 20 0 JGADRP CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CC[NH+](CC)C1 ZINC001305403584 1068644458 /nfs/dbraw/zinc/64/44/58/1068644458.db2.gz MCNUIXKEJCIHCW-OQLXKQOESA-N 2 0 456.683 3.386 20 0 JGADRP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001305413949 1068652629 /nfs/dbraw/zinc/65/26/29/1068652629.db2.gz ZNGBADAQVOBCPA-KNAFXUBQSA-N 2 0 487.737 3.293 20 0 JGADRP CC[C@H](C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001305424132 1068659414 /nfs/dbraw/zinc/65/94/14/1068659414.db2.gz ZFEGQJDKWCLBGS-SFTDATJTSA-N 2 0 455.651 3.403 20 0 JGADRP CC[C@@H](C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001305424131 1068659502 /nfs/dbraw/zinc/65/95/02/1068659502.db2.gz ZFEGQJDKWCLBGS-RTWAWAEBSA-N 2 0 455.651 3.403 20 0 JGADRP CC[C@H](C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001305444152 1068679157 /nfs/dbraw/zinc/67/91/57/1068679157.db2.gz MKYCYGIGFCLPKD-FDFHNCONSA-N 2 0 476.710 3.228 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455606 1068694513 /nfs/dbraw/zinc/69/45/13/1068694513.db2.gz CTWFPUIWUKZUAA-UPVQGACJSA-N 2 0 453.679 3.140 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305458111 1068699774 /nfs/dbraw/zinc/69/97/74/1068699774.db2.gz MKDWWOVXOGWGRZ-XZOQPEGZSA-N 2 0 489.753 3.286 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305461009 1068704484 /nfs/dbraw/zinc/70/44/84/1068704484.db2.gz ZBYNIIMIQOOWQP-HSZRJFAPSA-N 2 0 489.753 3.022 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001305520221 1068771198 /nfs/dbraw/zinc/77/11/98/1068771198.db2.gz UOIIELMSQHTTPS-NFBKMPQASA-N 2 0 454.663 3.327 20 0 JGADRP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001305532305 1068789601 /nfs/dbraw/zinc/78/96/01/1068789601.db2.gz ZSIRFAHSYXFEBB-ZEQRLZLVSA-N 2 0 489.753 3.287 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305541661 1068812538 /nfs/dbraw/zinc/81/25/38/1068812538.db2.gz YUFXWUXQINNWMJ-PKTZIBPZSA-N 2 0 453.679 3.140 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305544558 1068820551 /nfs/dbraw/zinc/82/05/51/1068820551.db2.gz QULKCPNLQFKDNK-QFIPXVFZSA-N 2 0 454.663 3.003 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305544336 1068821052 /nfs/dbraw/zinc/82/10/52/1068821052.db2.gz OWMIXMIEMRCHJB-UNMCSNQZSA-N 2 0 458.626 3.221 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546021 1068824512 /nfs/dbraw/zinc/82/45/12/1068824512.db2.gz QEPWAFZSTMUSPV-PKTZIBPZSA-N 2 0 476.710 3.231 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001305551986 1068831169 /nfs/dbraw/zinc/83/11/69/1068831169.db2.gz IBBFEEPIMFONLQ-FYYLOGMGSA-N 2 0 455.651 3.260 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001305609452 1068882057 /nfs/dbraw/zinc/88/20/57/1068882057.db2.gz DHMSLXKVSQMDOK-RTWAWAEBSA-N 2 0 467.662 3.324 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305611534 1068886096 /nfs/dbraw/zinc/88/60/96/1068886096.db2.gz MEPNCQWRCZLLQU-FDFHNCONSA-N 2 0 469.678 3.396 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001305616076 1068895234 /nfs/dbraw/zinc/89/52/34/1068895234.db2.gz YRWMVNMZLYDHQK-RTWAWAEBSA-N 2 0 455.651 3.068 20 0 JGADRP CC[C@H](c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001305664140 1069006067 /nfs/dbraw/zinc/00/60/67/1069006067.db2.gz NZEZFPYWGOSNLE-URXFXBBRSA-N 2 0 454.663 3.319 20 0 JGADRP CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001305710901 1069108984 /nfs/dbraw/zinc/10/89/84/1069108984.db2.gz XQPGCLYEYYJPGJ-JWQCQUIFSA-N 2 0 495.716 3.363 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001305753602 1069202718 /nfs/dbraw/zinc/20/27/18/1069202718.db2.gz AYEBSXCXCLPQFE-FQEVSTJZSA-N 2 0 461.699 3.239 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001305785747 1069287818 /nfs/dbraw/zinc/28/78/18/1069287818.db2.gz KJTRFMCQBVLOCL-NRFANRHFSA-N 2 0 461.699 3.095 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305786926 1069292089 /nfs/dbraw/zinc/29/20/89/1069292089.db2.gz ZJSRTTPPIGYLMY-DENIHFKCSA-N 2 0 461.699 3.237 20 0 JGADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c21 ZINC001164406959 718863472 /nfs/dbraw/zinc/86/34/72/718863472.db2.gz HXRVJIWCZRSIEA-TZIWHRDSSA-N 2 0 483.012 3.211 20 0 JGADRP Cc1cccc(CN2C(=O)COC3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC3)[C@@H]2C)n1 ZINC001164430448 718952254 /nfs/dbraw/zinc/95/22/54/718952254.db2.gz VLSVJYATXOFIDW-NRFANRHFSA-N 2 0 479.625 3.045 20 0 JGADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164710858 720133998 /nfs/dbraw/zinc/13/39/98/720133998.db2.gz FBQCIBBIOVFAJU-DEOSSOPVSA-N 2 0 465.642 3.459 20 0 JGADRP Cn1nnc2c1CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718314 720187182 /nfs/dbraw/zinc/18/71/82/720187182.db2.gz OJHJCUOARKMXOC-RUZDIDTESA-N 2 0 471.609 3.429 20 0 JGADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@H]3C2)cn1 ZINC001164765502 721247025 /nfs/dbraw/zinc/24/70/25/721247025.db2.gz RPUNKQYSTRRVQJ-RBUKOAKNSA-N 2 0 462.976 3.348 20 0 JGADRP c1cc(OCC[NH+]2CCCC2)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164963297 722058880 /nfs/dbraw/zinc/05/88/80/722058880.db2.gz VWBAIZUCDULJLB-UHFFFAOYSA-N 2 0 451.615 3.070 20 0 JGADRP CC(C)CN(c1cc(C[NH+](C)C)ccn1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164967715 722078708 /nfs/dbraw/zinc/07/87/08/722078708.db2.gz KEVHNZZOIFCBDK-UHFFFAOYSA-N 2 0 450.631 3.257 20 0 JGADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001298782493 1064586809 /nfs/dbraw/zinc/58/68/09/1064586809.db2.gz UVUYVIKNJCKSSC-RBBKRZOGSA-N 2 0 456.683 3.314 20 0 JGADRP COc1cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC(C)(C)C[NH+](C)C)cc(OC)c1OC ZINC001299855924 1065064430 /nfs/dbraw/zinc/06/44/30/1065064430.db2.gz ZDNXHOVEPFJCLE-UHFFFAOYSA-N 2 0 488.677 3.479 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492250158 1065349915 /nfs/dbraw/zinc/34/99/15/1065349915.db2.gz JDMCGOCRHXVKHB-RBBKRZOGSA-N 2 0 453.635 3.162 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[NH+]2CCCC2)cc1C ZINC001492265845 1065358901 /nfs/dbraw/zinc/35/89/01/1065358901.db2.gz FMDPDZDEAVWRNK-UHFFFAOYSA-N 2 0 453.635 3.021 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492359251 1065420709 /nfs/dbraw/zinc/42/07/09/1065420709.db2.gz HWJAYQORZVEWRP-RPWUZVMVSA-N 2 0 483.705 3.029 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492391139 1065435192 /nfs/dbraw/zinc/43/51/92/1065435192.db2.gz NIQTYQOLXIKPTE-WXFUMESZSA-N 2 0 483.705 3.110 20 0 JGADRP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302001578 1066335657 /nfs/dbraw/zinc/33/56/57/1066335657.db2.gz TZDOHPZXPALOJT-VKGYTVAMSA-N 2 0 474.625 3.117 20 0 JGADRP COCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001301607709 1066454200 /nfs/dbraw/zinc/45/42/00/1066454200.db2.gz PCUUVKUMYMEWQT-IBGZPJMESA-N 2 0 465.017 3.380 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302068822 1066472643 /nfs/dbraw/zinc/47/26/43/1066472643.db2.gz PYIBJWOEXVOIBR-SGIRGMQISA-N 2 0 464.699 3.433 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302083412 1066504623 /nfs/dbraw/zinc/50/46/23/1066504623.db2.gz ZVFUUCBNOJTTTC-HXUWFJFHSA-N 2 0 458.651 3.033 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302092845 1066521259 /nfs/dbraw/zinc/52/12/59/1066521259.db2.gz KZCUJDCVJFZDTM-SHSGKGFPSA-N 2 0 476.710 3.435 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301709045 1066602096 /nfs/dbraw/zinc/60/20/96/1066602096.db2.gz RUKPQQUVXLEWDI-ILBGXUMGSA-N 2 0 487.737 3.122 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301726999 1066644406 /nfs/dbraw/zinc/64/44/06/1066644406.db2.gz YOHZHGTXXGMMMB-UHFFFAOYSA-N 2 0 479.069 3.496 20 0 JGADRP COCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001301731015 1066649989 /nfs/dbraw/zinc/64/99/89/1066649989.db2.gz IWDBYMYSCNTNAE-DHIUTWEWSA-N 2 0 462.683 3.190 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001301874375 1066874655 /nfs/dbraw/zinc/87/46/55/1066874655.db2.gz HULPRYDOIHLMCL-XUZZJYLKSA-N 2 0 470.662 3.404 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301878205 1066880992 /nfs/dbraw/zinc/88/09/92/1066880992.db2.gz ULCFCRGXLJGVKG-FYYLOGMGSA-N 2 0 470.662 3.288 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302303760 1066890860 /nfs/dbraw/zinc/89/08/60/1066890860.db2.gz LFYAWPKZLVCOPP-VABKMULXSA-N 2 0 462.683 3.043 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001301886100 1066896036 /nfs/dbraw/zinc/89/60/36/1066896036.db2.gz RMPHSMOGSJJYNG-FCHUYYIVSA-N 2 0 470.662 3.375 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001301887282 1066900282 /nfs/dbraw/zinc/90/02/82/1066900282.db2.gz IAWPTAPZAKYYQL-GOSISDBHSA-N 2 0 477.053 3.248 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888785 1066904997 /nfs/dbraw/zinc/90/49/97/1066904997.db2.gz PHIGIMWNLZFYPZ-REWPJTCUSA-N 2 0 491.080 3.112 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301888789 1066905028 /nfs/dbraw/zinc/90/50/28/1066905028.db2.gz PITCBGNWZGEOTQ-UXHICEINSA-N 2 0 461.054 3.487 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001302311479 1066905275 /nfs/dbraw/zinc/90/52/75/1066905275.db2.gz KSQACTDJSXXADG-ZWDXQAFOSA-N 2 0 476.710 3.291 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001302312539 1066907941 /nfs/dbraw/zinc/90/79/41/1066907941.db2.gz VPCOKWVVTVNNCH-NNWRFLSQSA-N 2 0 476.691 3.145 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001301909719 1066933758 /nfs/dbraw/zinc/93/37/58/1066933758.db2.gz FZFODRLRRARBJD-IBGZPJMESA-N 2 0 463.070 3.267 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001301912583 1066939486 /nfs/dbraw/zinc/93/94/86/1066939486.db2.gz KTXNMJGUUZTWKY-PMVMPFDFSA-N 2 0 462.683 3.187 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301919718 1066951952 /nfs/dbraw/zinc/95/19/52/1066951952.db2.gz JZKUITKMRWOEES-ZJSXRUAMSA-N 2 0 484.689 3.155 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301919709 1066952205 /nfs/dbraw/zinc/95/22/05/1066952205.db2.gz JZKUITKMRWOEES-QPPBQGQZSA-N 2 0 484.689 3.155 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919712 1066952271 /nfs/dbraw/zinc/95/22/71/1066952271.db2.gz JZKUITKMRWOEES-URXFXBBRSA-N 2 0 484.689 3.155 20 0 JGADRP COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001302403354 1066984163 /nfs/dbraw/zinc/98/41/63/1066984163.db2.gz IWWKSTMQKJGSPQ-DNQXCXABSA-N 2 0 475.637 3.288 20 0 JGADRP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304140959 1067182912 /nfs/dbraw/zinc/18/29/12/1067182912.db2.gz VHPHADULWLAJFW-CJFMBICVSA-N 2 0 491.080 3.285 20 0 JGADRP CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302571373 1067211118 /nfs/dbraw/zinc/21/11/18/1067211118.db2.gz OOFQIBBLDZXCBP-RUZDIDTESA-N 2 0 467.706 3.386 20 0 JGADRP CC(C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302634654 1067264013 /nfs/dbraw/zinc/26/40/13/1067264013.db2.gz XHOUYXPJVXOXRR-ZEQRLZLVSA-N 2 0 471.669 3.448 20 0 JGADRP Cc1ccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CCOC(C)C)CC2)[NH+](C)C)cc1 ZINC001304271849 1067307821 /nfs/dbraw/zinc/30/78/21/1067307821.db2.gz DIXKPKCZDBCSOC-DEOSSOPVSA-N 2 0 465.646 3.432 20 0 JGADRP Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001304325473 1067374348 /nfs/dbraw/zinc/37/43/48/1067374348.db2.gz VIYQFPRZCIYLHR-FGZHOGPDSA-N 2 0 488.677 3.281 20 0 JGADRP CC(C)[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001302782271 1067376245 /nfs/dbraw/zinc/37/62/45/1067376245.db2.gz UPRJMQBIZHJJGQ-QHCPKHFHSA-N 2 0 469.678 3.335 20 0 JGADRP CC(C)C[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+](C)C ZINC001302819498 1067407112 /nfs/dbraw/zinc/40/71/12/1067407112.db2.gz BRQVDSPZDONSEG-GPXOXTDOSA-N 2 0 485.696 3.413 20 0 JGADRP CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001302822063 1067410963 /nfs/dbraw/zinc/41/09/63/1067410963.db2.gz LEVOHRHUEWWODX-PKTZIBPZSA-N 2 0 474.719 3.455 20 0 JGADRP CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC001302824280 1067412834 /nfs/dbraw/zinc/41/28/34/1067412834.db2.gz YPKXPUURVDPDOJ-SANMLTNESA-N 2 0 496.748 3.235 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001304376526 1067418033 /nfs/dbraw/zinc/41/80/33/1067418033.db2.gz ZMSQEVGZAUUOQR-NZQKXSOJSA-N 2 0 497.688 3.036 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1C ZINC001304383155 1067431960 /nfs/dbraw/zinc/43/19/60/1067431960.db2.gz HHPQOMDDZZPAMW-JOCHJYFZSA-N 2 0 453.635 3.018 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001304417878 1067490843 /nfs/dbraw/zinc/49/08/43/1067490843.db2.gz GGEUAPWYEQDFKN-GOTSBHOMSA-N 2 0 470.662 3.195 20 0 JGADRP CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302938529 1067512276 /nfs/dbraw/zinc/51/22/76/1067512276.db2.gz SDGZQFGFJGRHON-XUZZJYLKSA-N 2 0 472.653 3.467 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001302960665 1067532081 /nfs/dbraw/zinc/53/20/81/1067532081.db2.gz BXJFSDQOJIMNQR-XMMPIXPASA-N 2 0 454.663 3.208 20 0 JGADRP Cc1cccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2cccc(C[NH+](C)C)c2)n1 ZINC001304481118 1067560636 /nfs/dbraw/zinc/56/06/36/1067560636.db2.gz ZDTTXUGWVBGHNN-UHFFFAOYSA-N 2 0 477.657 3.305 20 0 JGADRP Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001304495461 1067571795 /nfs/dbraw/zinc/57/17/95/1067571795.db2.gz IFSUAGAVEKGCNT-PSWAGMNNSA-N 2 0 495.716 3.415 20 0 JGADRP Cc1cccc(C[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001304497108 1067572851 /nfs/dbraw/zinc/57/28/51/1067572851.db2.gz CGESDNSIIXWDDS-XMMPIXPASA-N 2 0 464.662 3.286 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cccc(C)c4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304498962 1067574242 /nfs/dbraw/zinc/57/42/42/1067574242.db2.gz QZDKNQYFNKMXNI-UHFFFAOYSA-N 2 0 478.689 3.358 20 0 JGADRP Cc1cccc(OCc2nnc(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304506801 1067580478 /nfs/dbraw/zinc/58/04/78/1067580478.db2.gz OAZOWHPZUGATEB-RJGXRXQPSA-N 2 0 484.689 3.441 20 0 JGADRP Cc1cccc(OCc2nnc(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304512425 1067588887 /nfs/dbraw/zinc/58/88/87/1067588887.db2.gz PDBYWMCDOCXRIE-HSZRJFAPSA-N 2 0 483.705 3.110 20 0 JGADRP Cc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304537107 1067608595 /nfs/dbraw/zinc/60/85/95/1067608595.db2.gz LGWJXSQIBRDNAF-UHFFFAOYSA-N 2 0 453.679 3.058 20 0 JGADRP CC(C)CC[NH+]1CCC(Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001303091082 1067627856 /nfs/dbraw/zinc/62/78/56/1067627856.db2.gz LMOHASBJVZQDCY-UHFFFAOYSA-N 2 0 487.737 3.078 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCOCC[NH+](C)C ZINC001304560346 1067629904 /nfs/dbraw/zinc/62/99/04/1067629904.db2.gz TXMULQDZGUADLC-UHFFFAOYSA-N 2 0 454.663 3.210 20 0 JGADRP Cc1ccccc1Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001304560716 1067630788 /nfs/dbraw/zinc/63/07/88/1067630788.db2.gz WSSROCQHQKQCPJ-UHFFFAOYSA-N 2 0 478.689 3.211 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303183278 1067715758 /nfs/dbraw/zinc/71/57/58/1067715758.db2.gz BRZVRRNUIIHKLV-IGKIAQTJSA-N 2 0 484.689 3.400 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001303185342 1067720360 /nfs/dbraw/zinc/72/03/60/1067720360.db2.gz ZJNBNTWTKBPJSZ-HXUWFJFHSA-N 2 0 461.054 3.345 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001303188711 1067722799 /nfs/dbraw/zinc/72/27/99/1067722799.db2.gz HGDRFMPETDQGKY-JOCHJYFZSA-N 2 0 464.662 3.367 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303196943 1067731604 /nfs/dbraw/zinc/73/16/04/1067731604.db2.gz QKZYBHNPUNMYJH-XMMPIXPASA-N 2 0 465.621 3.484 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001303200607 1067736424 /nfs/dbraw/zinc/73/64/24/1067736424.db2.gz CWNVSCIFDRTGQY-BJKOFHAPSA-N 2 0 454.663 3.469 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001303201447 1067737182 /nfs/dbraw/zinc/73/71/82/1067737182.db2.gz LCNZXWGGQMLBSI-XMMPIXPASA-N 2 0 476.710 3.087 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001303255115 1067780832 /nfs/dbraw/zinc/78/08/32/1067780832.db2.gz WCFSFQGFJINVJI-JOCHJYFZSA-N 2 0 487.718 3.435 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303259721 1067786209 /nfs/dbraw/zinc/78/62/09/1067786209.db2.gz XBQGRTAKFWFLJZ-UHFFFAOYSA-N 2 0 483.705 3.056 20 0 JGADRP CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001303259755 1067786261 /nfs/dbraw/zinc/78/62/61/1067786261.db2.gz YMSUBXCZOOJMRW-RBBKRZOGSA-N 2 0 459.683 3.050 20 0 JGADRP CC(C)[N@H+](C)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303264190 1067791528 /nfs/dbraw/zinc/79/15/28/1067791528.db2.gz BKOAGWOHJWOFBE-JOCHJYFZSA-N 2 0 456.635 3.441 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001303267754 1067794853 /nfs/dbraw/zinc/79/48/53/1067794853.db2.gz HSRZQBIMUADZQW-HXUWFJFHSA-N 2 0 460.692 3.350 20 0 JGADRP CC(C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC001303268534 1067796279 /nfs/dbraw/zinc/79/62/79/1067796279.db2.gz IXJQBERTSOSYNL-JOCHJYFZSA-N 2 0 490.656 3.366 20 0 JGADRP CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001303270937 1067799613 /nfs/dbraw/zinc/79/96/13/1067799613.db2.gz NFECNODMLIOYRY-UHFFFAOYSA-N 2 0 461.054 3.487 20 0 JGADRP CC(C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001303276748 1067804518 /nfs/dbraw/zinc/80/45/18/1067804518.db2.gz JVLIMLMIFLXHGM-FQEVSTJZSA-N 2 0 458.626 3.038 20 0 JGADRP CC(C)[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001303276966 1067804647 /nfs/dbraw/zinc/80/46/47/1067804647.db2.gz PWCNCVVKYLTSHG-NRFANRHFSA-N 2 0 489.659 3.092 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304739427 1067813230 /nfs/dbraw/zinc/81/32/30/1067813230.db2.gz DTWZRDGGJURIPB-LADGPHEKSA-N 2 0 464.662 3.191 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303312235 1067841928 /nfs/dbraw/zinc/84/19/28/1067841928.db2.gz ACQAOKJVRWUADL-UHFFFAOYSA-N 2 0 487.693 3.185 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001303314478 1067842628 /nfs/dbraw/zinc/84/26/28/1067842628.db2.gz ZBMOPEUUPVQICU-HXUWFJFHSA-N 2 0 489.709 3.406 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001304758552 1067843328 /nfs/dbraw/zinc/84/33/28/1067843328.db2.gz BXJXHQLRULHMFA-UHFFFAOYSA-N 2 0 456.683 3.182 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001304758776 1067843513 /nfs/dbraw/zinc/84/35/13/1067843513.db2.gz DHMVQOHPMKYLFH-LVXARBLLSA-N 2 0 470.710 3.428 20 0 JGADRP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4F)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303316850 1067844920 /nfs/dbraw/zinc/84/49/20/1067844920.db2.gz KXDHMDGGUBCIHH-OAQYLSRUSA-N 2 0 471.669 3.277 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCCCC2)CC1 ZINC001303316864 1067844966 /nfs/dbraw/zinc/84/49/66/1067844966.db2.gz LKKJEWBKKFLNLO-SZPZYZBQSA-N 2 0 489.709 3.455 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303317173 1067845339 /nfs/dbraw/zinc/84/53/39/1067845339.db2.gz IMFBMUUHBQWWHE-UHFFFAOYSA-N 2 0 451.594 3.065 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304765284 1067855004 /nfs/dbraw/zinc/85/50/04/1067855004.db2.gz XDVJEQJNTGSPPQ-QHCPKHFHSA-N 2 0 456.683 3.323 20 0 JGADRP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC[NH+](C)C(C)C ZINC001303329215 1067857441 /nfs/dbraw/zinc/85/74/41/1067857441.db2.gz YBYXVDLSWFGUDC-FYYLOGMGSA-N 2 0 469.678 3.246 20 0 JGADRP Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001304800808 1067884945 /nfs/dbraw/zinc/88/49/45/1067884945.db2.gz SZALAYNWTYUPDT-JOCHJYFZSA-N 2 0 453.679 3.355 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303366207 1067894095 /nfs/dbraw/zinc/89/40/95/1067894095.db2.gz KGFIFBCZYIWJSO-NRFANRHFSA-N 2 0 461.699 3.093 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001303369242 1067898787 /nfs/dbraw/zinc/89/87/87/1067898787.db2.gz MQDHYRMCVKNPDN-JOCHJYFZSA-N 2 0 459.683 3.137 20 0 JGADRP Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001304856539 1067906456 /nfs/dbraw/zinc/90/64/56/1067906456.db2.gz QKWJTGYLEZDYPO-DEOSSOPVSA-N 2 0 457.642 3.023 20 0 JGADRP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001304858620 1067908358 /nfs/dbraw/zinc/90/83/58/1067908358.db2.gz CUMHYZXRTWPCDZ-HXUWFJFHSA-N 2 0 460.589 3.046 20 0 JGADRP Cc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001304858898 1067908815 /nfs/dbraw/zinc/90/88/15/1067908815.db2.gz BQPYMBNTSCXDIS-XPWALMASSA-N 2 0 453.679 3.102 20 0 JGADRP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304926932 1067971843 /nfs/dbraw/zinc/97/18/43/1067971843.db2.gz UUDLXFIGCQVWBY-UBFVSLLYSA-N 2 0 489.753 3.001 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001303462983 1067982267 /nfs/dbraw/zinc/98/22/67/1067982267.db2.gz MEPKNEOEBBFCTG-UHFFFAOYSA-N 2 0 454.663 3.373 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001303463495 1067982629 /nfs/dbraw/zinc/98/26/29/1067982629.db2.gz SRSXEYUQNXBBRH-UHFFFAOYSA-N 2 0 488.080 3.313 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CC3CCCC3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001303467198 1067986012 /nfs/dbraw/zinc/98/60/12/1067986012.db2.gz YDGCEUIVXUBQNQ-UHFFFAOYSA-N 2 0 459.727 3.251 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCSCC2)CC1 ZINC001303467007 1067986159 /nfs/dbraw/zinc/98/61/59/1067986159.db2.gz WYOAVBFDBSLIOI-UHFFFAOYSA-N 2 0 456.704 3.469 20 0 JGADRP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1CCC[C@H](C)C1 ZINC001305026923 1068082756 /nfs/dbraw/zinc/08/27/56/1068082756.db2.gz SCWSMLGNLCMERM-FCHUYYIVSA-N 2 0 470.710 3.433 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001305107974 1068176368 /nfs/dbraw/zinc/17/63/68/1068176368.db2.gz LAYUKWKDUFBSOK-ZEQRLZLVSA-N 2 0 487.737 3.485 20 0 JGADRP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC001305111418 1068182845 /nfs/dbraw/zinc/18/28/45/1068182845.db2.gz CGUNWHUXDTWYFU-DNVJHFABSA-N 2 0 489.753 3.068 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305125716 1068212842 /nfs/dbraw/zinc/21/28/42/1068212842.db2.gz ZTVMZAMOKCPAQT-RTWAWAEBSA-N 2 0 473.710 3.237 20 0 JGADRP C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303691383 1068231668 /nfs/dbraw/zinc/23/16/68/1068231668.db2.gz DKHCOKWDCGTWKE-OAHLLOKOSA-N 2 0 464.456 3.439 20 0 JGADRP C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC001303692280 1068233622 /nfs/dbraw/zinc/23/36/22/1068233622.db2.gz UHXDXCYTTRHSCZ-GOSISDBHSA-N 2 0 491.478 3.206 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC001303707581 1068252688 /nfs/dbraw/zinc/25/26/88/1068252688.db2.gz JVQVMJKRPMXAQC-OAQYLSRUSA-N 2 0 450.635 3.120 20 0 JGADRP C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001303738136 1068297082 /nfs/dbraw/zinc/29/70/82/1068297082.db2.gz VRRKRSNXNJLJHU-SFHVURJKSA-N 2 0 473.691 3.063 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001303750667 1068311034 /nfs/dbraw/zinc/31/10/34/1068311034.db2.gz AOQKJXWFNIQYIN-SQJMNOBHSA-N 2 0 462.683 3.017 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001303752516 1068313730 /nfs/dbraw/zinc/31/37/30/1068313730.db2.gz HUPYLHMGFHHDEC-GJZUVCINSA-N 2 0 476.710 3.408 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303755317 1068318585 /nfs/dbraw/zinc/31/85/85/1068318585.db2.gz VWOZFINHUXXQFG-JYFHCDHNSA-N 2 0 476.710 3.361 20 0 JGADRP C[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)CCS1 ZINC001305203029 1068326890 /nfs/dbraw/zinc/32/68/90/1068326890.db2.gz DLAIAIPBOOXEPW-QFIPXVFZSA-N 2 0 485.746 3.172 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC001305221268 1068359362 /nfs/dbraw/zinc/35/93/62/1068359362.db2.gz IPZYYBDYNTUYJJ-DEOSSOPVSA-N 2 0 468.690 3.485 20 0 JGADRP CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CC[NH+](CC)C1 ZINC001305403586 1068644207 /nfs/dbraw/zinc/64/42/07/1068644207.db2.gz MCNUIXKEJCIHCW-VVSUKSJXSA-N 2 0 456.683 3.386 20 0 JGADRP CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H]1CCCC[NH+]1CC ZINC001305408890 1068648179 /nfs/dbraw/zinc/64/81/79/1068648179.db2.gz AQIOCTIXQHDYTK-WMIMKTLMSA-N 2 0 473.710 3.045 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455604 1068694614 /nfs/dbraw/zinc/69/46/14/1068694614.db2.gz CTWFPUIWUKZUAA-LADGPHEKSA-N 2 0 453.679 3.140 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305458106 1068699877 /nfs/dbraw/zinc/69/98/77/1068699877.db2.gz MKDWWOVXOGWGRZ-DHIUTWEWSA-N 2 0 489.753 3.286 20 0 JGADRP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001305532125 1068788998 /nfs/dbraw/zinc/78/89/98/1068788998.db2.gz ZERQYDHLBFNJCR-ILBGXUMGSA-N 2 0 489.753 3.143 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540040 1068808764 /nfs/dbraw/zinc/80/87/64/1068808764.db2.gz HXGMUNVBRPBAEJ-VDKIKQQVSA-N 2 0 495.716 3.445 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001305540793 1068810600 /nfs/dbraw/zinc/81/06/00/1068810600.db2.gz LMXAPVCBSNWGLM-AKFKNWHVSA-N 2 0 454.663 3.349 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544260 1068820045 /nfs/dbraw/zinc/82/00/45/1068820045.db2.gz GMQUANTYWLMGES-YADHBBJMSA-N 2 0 476.710 3.372 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305603253 1068866994 /nfs/dbraw/zinc/86/69/94/1068866994.db2.gz AHAAPWBDVHOKFI-UYAOXDASSA-N 2 0 462.042 3.025 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305603250 1068867063 /nfs/dbraw/zinc/86/70/63/1068867063.db2.gz AHAAPWBDVHOKFI-AZUAARDMSA-N 2 0 462.042 3.025 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001305606819 1068874292 /nfs/dbraw/zinc/87/42/92/1068874292.db2.gz WCCKXTGWDNRPDC-RTBURBONSA-N 2 0 476.069 3.122 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001305615480 1068893472 /nfs/dbraw/zinc/89/34/72/1068893472.db2.gz WPSMZJZZRXOZJS-BDTNDASRSA-N 2 0 456.683 3.500 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001305619240 1068903012 /nfs/dbraw/zinc/90/30/12/1068903012.db2.gz FVIPTKPVAFSURT-HBMCJLEFSA-N 2 0 456.635 3.269 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001305622445 1068910964 /nfs/dbraw/zinc/91/09/64/1068910964.db2.gz RGTIPWGPMOLLQB-PMACEKPBSA-N 2 0 473.691 3.065 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001305623910 1068916362 /nfs/dbraw/zinc/91/63/62/1068916362.db2.gz XCAMAJRPLUOOLI-NJYVYQBISA-N 2 0 489.709 3.454 20 0 JGADRP CC[C@@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001305670578 1069016652 /nfs/dbraw/zinc/01/66/52/1069016652.db2.gz LHMQMNJWAHGJKL-GJZUVCINSA-N 2 0 454.663 3.197 20 0 JGADRP CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001305708821 1069101915 /nfs/dbraw/zinc/10/19/15/1069101915.db2.gz YOKNUAQRGORKFQ-HYBUGGRVSA-N 2 0 471.694 3.340 20 0 JGADRP CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)[NH+](C)C ZINC001305714234 1069117765 /nfs/dbraw/zinc/11/77/65/1069117765.db2.gz ZWPNSGHSPHVCAF-YADHBBJMSA-N 2 0 459.683 3.050 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1CC[N@H+](C)C1CCCCC1 ZINC001305738045 1069161404 /nfs/dbraw/zinc/16/14/04/1069161404.db2.gz KUVIAELVUGXLKO-VQTJNVASSA-N 2 0 461.699 3.380 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001305757577 1069214368 /nfs/dbraw/zinc/21/43/68/1069214368.db2.gz AQTXOSBGQRFCOJ-UHFFFAOYSA-N 2 0 461.699 3.428 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305785166 1069284598 /nfs/dbraw/zinc/28/45/98/1069284598.db2.gz IKJGYHSELGZJGH-QFIPXVFZSA-N 2 0 459.683 3.136 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305785868 1069288429 /nfs/dbraw/zinc/28/84/29/1069288429.db2.gz QTXJPDMNBKBGDL-FQEVSTJZSA-N 2 0 473.710 3.382 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305786932 1069292481 /nfs/dbraw/zinc/29/24/81/1069292481.db2.gz ZJSRTTPPIGYLMY-UGKGYDQZSA-N 2 0 461.699 3.237 20 0 JGADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c21 ZINC001164406924 718863460 /nfs/dbraw/zinc/86/34/60/718863460.db2.gz HXRVJIWCZRSIEA-CTNGQTDRSA-N 2 0 483.012 3.211 20 0 JGADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164614299 719016562 /nfs/dbraw/zinc/01/65/62/719016562.db2.gz DZEFLDNFNZCXIX-AJSBUHFISA-N 2 0 497.039 3.486 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CCn5c(-c6ccc(C(N)=O)cc6)cnc54)CC3)c2)CC1 ZINC001164697573 719830485 /nfs/dbraw/zinc/83/04/85/719830485.db2.gz PAKCDDZZVFDOBY-UHFFFAOYSA-N 2 0 486.620 3.459 20 0 JGADRP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715622 720204280 /nfs/dbraw/zinc/20/42/80/720204280.db2.gz LHUZJZIRHBCQSH-LADGPHEKSA-N 2 0 467.662 3.363 20 0 JGADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1C[NH+]1CC[C@H](CO)C1 ZINC001164729288 720415984 /nfs/dbraw/zinc/41/59/84/720415984.db2.gz GQPCXUIEVLGNNV-FTBPSBKWSA-N 2 0 492.668 3.129 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCOC[C@@]4(C[C@@H](CNc5cccc(F)c5)CO4)C3)c2)CC1 ZINC001164724821 720496047 /nfs/dbraw/zinc/49/60/47/720496047.db2.gz IDHFPHOFROFFPH-RXFWQSSRSA-N 2 0 470.589 3.418 20 0 JGADRP [NH3+]C1CCN(c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164752539 720901126 /nfs/dbraw/zinc/90/11/26/720901126.db2.gz FBCNZGBPJXXPEJ-UFHPHHKVSA-N 3 0 476.669 3.159 20 0 JGADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)C[C@@H](NC(=O)c3ccccc3)CCO4)c2)CC1 ZINC001164863691 720901777 /nfs/dbraw/zinc/90/17/77/720901777.db2.gz YRVJCAGULGTQIX-LVXARBLLSA-N 2 0 450.583 3.113 20 0 JGADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C[C@H]3C2)cn1 ZINC001164765503 721248021 /nfs/dbraw/zinc/24/80/21/721248021.db2.gz RPUNKQYSTRRVQJ-RTBURBONSA-N 2 0 462.976 3.348 20 0 JGADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164786805 721455088 /nfs/dbraw/zinc/45/50/88/721455088.db2.gz NRYZGXWMVMWTSO-NRFANRHFSA-N 2 0 478.081 3.331 20 0 JGADRP c1ccc(C[N@@H+]2CCc3nc(N(C[C@@H]4OC[C@H]5CC[NH2+]C[C@@H]45)c4ncccn4)ccc3C2)cc1 ZINC001164793276 721483950 /nfs/dbraw/zinc/48/39/50/721483950.db2.gz UBTWRSPIHGKRFD-OYRHQHFDSA-N 2 0 456.594 3.193 20 0 JGADRP CC[C@H](Cn1c(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305848991 1069400544 /nfs/dbraw/zinc/40/05/44/1069400544.db2.gz CSOGTCPNXTYWRO-DNVJHFABSA-N 2 0 459.727 3.445 20 0 JGADRP CC[C@@H](Cn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001305851282 1069405349 /nfs/dbraw/zinc/40/53/49/1069405349.db2.gz ZSHJOYUFQVIXOH-SQJMNOBHSA-N 2 0 462.683 3.114 20 0 JGADRP CC[C@H](Cn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001305851280 1069405394 /nfs/dbraw/zinc/40/53/94/1069405394.db2.gz ZSHJOYUFQVIXOH-PXDATVDWSA-N 2 0 462.683 3.114 20 0 JGADRP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2C[C@@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299844661 1065044032 /nfs/dbraw/zinc/04/40/32/1065044032.db2.gz UYCJHUSEKUPMLF-SBHAEUEKSA-N 2 0 456.635 3.364 20 0 JGADRP COc1cc(OC)cc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001299951756 1065229790 /nfs/dbraw/zinc/22/97/90/1065229790.db2.gz KCYPGODCWBPNQA-UHFFFAOYSA-N 2 0 458.651 3.328 20 0 JGADRP COc1ccc(Br)c(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001299973896 1065262917 /nfs/dbraw/zinc/26/29/17/1065262917.db2.gz MVEUDJFGAJNOJW-KRWDZBQOSA-N 2 0 479.467 3.444 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001492251178 1065351998 /nfs/dbraw/zinc/35/19/98/1065351998.db2.gz XEJMIKXXXZESAP-UHFFFAOYSA-N 2 0 497.688 3.036 20 0 JGADRP Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[NH+]2CCSCC2)cc1 ZINC001492360522 1065422303 /nfs/dbraw/zinc/42/23/03/1065422303.db2.gz VPOHBZAYSPMRDA-UHFFFAOYSA-N 2 0 458.676 3.181 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001492384954 1065452078 /nfs/dbraw/zinc/45/20/78/1065452078.db2.gz NAXMIBUCFFXSOK-VWLOTQADSA-N 2 0 472.703 3.381 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001492384953 1065452158 /nfs/dbraw/zinc/45/21/58/1065452158.db2.gz NAXMIBUCFFXSOK-RUZDIDTESA-N 2 0 472.703 3.381 20 0 JGADRP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001492386175 1065454634 /nfs/dbraw/zinc/45/46/34/1065454634.db2.gz YUJWQQFNJAVLGO-UHFFFAOYSA-N 2 0 484.689 3.099 20 0 JGADRP COC[C@@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001300979072 1065789283 /nfs/dbraw/zinc/78/92/83/1065789283.db2.gz UIXYQDRUSTYCLB-DEOSSOPVSA-N 2 0 497.732 3.236 20 0 JGADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302092843 1066521112 /nfs/dbraw/zinc/52/11/12/1066521112.db2.gz KZCUJDCVJFZDTM-RZMWZJFBSA-N 2 0 476.710 3.435 20 0 JGADRP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302093892 1066521498 /nfs/dbraw/zinc/52/14/98/1066521498.db2.gz XRGIEVMEKLHTEK-ZLNRFVROSA-N 2 0 462.683 3.045 20 0 JGADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708029 1066598943 /nfs/dbraw/zinc/59/89/43/1066598943.db2.gz GZFLWUPBRSVHHV-ZJSXRUAMSA-N 2 0 473.710 3.045 20 0 JGADRP COCC[N@H+](C)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301712998 1066610471 /nfs/dbraw/zinc/61/04/71/1066610471.db2.gz IACCEDQDMLBOFC-UHFFFAOYSA-N 2 0 465.646 3.300 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301722009 1066628929 /nfs/dbraw/zinc/62/89/29/1066628929.db2.gz MNYXOCPWFBNZAW-UHFFFAOYSA-N 2 0 497.457 3.392 20 0 JGADRP COCC[N@H+](C)CCCn1c(Cc2ccccc2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301723752 1066635330 /nfs/dbraw/zinc/63/53/30/1066635330.db2.gz YHDFDWPLFGXGAQ-UHFFFAOYSA-N 2 0 456.679 3.456 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301727640 1066645123 /nfs/dbraw/zinc/64/51/23/1066645123.db2.gz IFFGPIYZWZDIIH-UHFFFAOYSA-N 2 0 470.662 3.233 20 0 JGADRP COCC[N@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301732130 1066652132 /nfs/dbraw/zinc/65/21/32/1066652132.db2.gz RFLFFMZJLPQPHX-UHFFFAOYSA-N 2 0 467.618 3.099 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001301877185 1066878995 /nfs/dbraw/zinc/87/89/95/1066878995.db2.gz JZGAAVBOSZQXIM-SJBKTWHCSA-N 2 0 458.651 3.142 20 0 JGADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302303611 1066891048 /nfs/dbraw/zinc/89/10/48/1066891048.db2.gz JYMGQDIERFNWLI-VJBWXMMDSA-N 2 0 462.683 3.045 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001301887014 1066899118 /nfs/dbraw/zinc/89/91/18/1066899118.db2.gz FYSDCMNKRURJNC-CVEARBPZSA-N 2 0 455.434 3.359 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC001301895835 1066916493 /nfs/dbraw/zinc/91/64/93/1066916493.db2.gz APUHISMVAUVOMJ-FCHUYYIVSA-N 2 0 470.662 3.375 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001301895837 1066916565 /nfs/dbraw/zinc/91/65/65/1066916565.db2.gz APUHISMVAUVOMJ-VXKWHMMOSA-N 2 0 470.662 3.375 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001301897406 1066921498 /nfs/dbraw/zinc/92/14/98/1066921498.db2.gz VYUSRMSOGOUOJK-NRFANRHFSA-N 2 0 458.626 3.363 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001301911973 1066938551 /nfs/dbraw/zinc/93/85/51/1066938551.db2.gz JABYNOZOBJLWHK-VJBMBRPKSA-N 2 0 474.625 3.119 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001301918450 1066949206 /nfs/dbraw/zinc/94/92/06/1066949206.db2.gz CEKAARVMSAYAFS-ZCYQVOJMSA-N 2 0 468.690 3.455 20 0 JGADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301920000 1066952658 /nfs/dbraw/zinc/95/26/58/1066952658.db2.gz LTVJSUMOAHQHAT-NFBKMPQASA-N 2 0 472.653 3.285 20 0 JGADRP C[NH+](C)C[C@@H]1CN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C[C@H]1C[NH+](C)C ZINC001302403897 1066984916 /nfs/dbraw/zinc/98/49/16/1066984916.db2.gz VWZBVTWQXSHPIT-ZIAGYGMSSA-N 2 0 453.356 3.055 20 0 JGADRP CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001302518747 1067137937 /nfs/dbraw/zinc/13/79/37/1067137937.db2.gz IABPYOYNSUTUMT-QFIPXVFZSA-N 2 0 455.651 3.008 20 0 JGADRP CC(C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302634652 1067263496 /nfs/dbraw/zinc/26/34/96/1067263496.db2.gz XHOUYXPJVXOXRR-DNQXCXABSA-N 2 0 471.669 3.448 20 0 JGADRP CSC1(Cn2c(N3CCC(OCC[NH+]4CCCC4)CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302635460 1067264906 /nfs/dbraw/zinc/26/49/06/1067264906.db2.gz VIDSSWUMASWTHT-UHFFFAOYSA-N 2 0 478.751 3.484 20 0 JGADRP CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[NH+](C)C ZINC001302802577 1067391218 /nfs/dbraw/zinc/39/12/18/1067391218.db2.gz FWEGRHWWXCYQQE-RPWUZVMVSA-N 2 0 481.689 3.201 20 0 JGADRP CC(C)C[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001302815814 1067402900 /nfs/dbraw/zinc/40/29/00/1067402900.db2.gz BMKXFCWGWLVSGV-IBGZPJMESA-N 2 0 480.661 3.491 20 0 JGADRP CC(C)C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC001302821427 1067410073 /nfs/dbraw/zinc/41/00/73/1067410073.db2.gz VXKKNHOBWVBLPA-DEOSSOPVSA-N 2 0 497.736 3.349 20 0 JGADRP Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCOCC[NH+](C)C)cc1C ZINC001304382575 1067431197 /nfs/dbraw/zinc/43/11/97/1067431197.db2.gz DQAHHDOCYLIKBX-UHFFFAOYSA-N 2 0 485.677 3.036 20 0 JGADRP CC(C)Cc1nnc(N(C)Cc2cscn2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001302848550 1067434081 /nfs/dbraw/zinc/43/40/81/1067434081.db2.gz IUSMNUIYVSPNRC-UHFFFAOYSA-N 2 0 454.648 3.177 20 0 JGADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001302866738 1067447757 /nfs/dbraw/zinc/44/77/57/1067447757.db2.gz OWKLMSYBOGMQBS-JOCHJYFZSA-N 2 0 498.716 3.448 20 0 JGADRP CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001302870112 1067449830 /nfs/dbraw/zinc/44/98/30/1067449830.db2.gz XZQMQUNOLCYRCN-FPOVZHCZSA-N 2 0 495.594 3.240 20 0 JGADRP CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302919227 1067500889 /nfs/dbraw/zinc/50/08/89/1067500889.db2.gz JIEZHJKNAQTGLK-QHCPKHFHSA-N 2 0 460.711 3.416 20 0 JGADRP CC(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001302948575 1067521955 /nfs/dbraw/zinc/52/19/55/1067521955.db2.gz XQSFRTVSUKFIDG-QHCPKHFHSA-N 2 0 454.663 3.012 20 0 JGADRP Cc1cccc(OCc2nnc(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304506802 1067580576 /nfs/dbraw/zinc/58/05/76/1067580576.db2.gz OAZOWHPZUGATEB-ZLNRFVROSA-N 2 0 484.689 3.441 20 0 JGADRP CC(C)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001303083700 1067617790 /nfs/dbraw/zinc/61/77/90/1067617790.db2.gz GRBKXVMVVZSJMV-UHFFFAOYSA-N 2 0 467.706 3.467 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303183283 1067715805 /nfs/dbraw/zinc/71/58/05/1067715805.db2.gz BRZVRRNUIIHKLV-SHQCIBLASA-N 2 0 484.689 3.400 20 0 JGADRP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001303185341 1067720243 /nfs/dbraw/zinc/72/02/43/1067720243.db2.gz ZJNBNTWTKBPJSZ-FQEVSTJZSA-N 2 0 461.054 3.345 20 0 JGADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001303203984 1067739914 /nfs/dbraw/zinc/73/99/14/1067739914.db2.gz IXYXZOJKJQQEFA-RUZDIDTESA-N 2 0 483.705 3.177 20 0 JGADRP CC(C)[N@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303254887 1067780462 /nfs/dbraw/zinc/78/04/62/1067780462.db2.gz OEPIYCQWYVBDBG-UHFFFAOYSA-N 2 0 481.689 3.210 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC001303263307 1067790700 /nfs/dbraw/zinc/79/07/00/1067790700.db2.gz AUCWUKXHHNAMKV-UHFFFAOYSA-N 2 0 466.609 3.317 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303263593 1067790822 /nfs/dbraw/zinc/79/08/22/1067790822.db2.gz PWLMOVZXEAXSFT-ZRZAMGCNSA-N 2 0 468.694 3.065 20 0 JGADRP CC(C)[N@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001303267914 1067795209 /nfs/dbraw/zinc/79/52/09/1067795209.db2.gz KABPDWZEPAEPGL-UHFFFAOYSA-N 2 0 452.651 3.167 20 0 JGADRP CC(C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001303274365 1067801615 /nfs/dbraw/zinc/80/16/15/1067801615.db2.gz DMIFDPCSHWKHNF-HSZRJFAPSA-N 2 0 462.683 3.189 20 0 JGADRP CC(C)[N@H+](C)CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001303275796 1067803435 /nfs/dbraw/zinc/80/34/35/1067803435.db2.gz HIGVZVWIWLJMIT-NZQKXSOJSA-N 2 0 458.699 3.460 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304739429 1067813296 /nfs/dbraw/zinc/81/32/96/1067813296.db2.gz DTWZRDGGJURIPB-VWNXMTODSA-N 2 0 464.662 3.191 20 0 JGADRP CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC001303291050 1067814709 /nfs/dbraw/zinc/81/47/09/1067814709.db2.gz JDLCRAITJKMHQB-QFIPXVFZSA-N 2 0 457.667 3.331 20 0 JGADRP CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCC3)CC2)CC1 ZINC001303297055 1067821385 /nfs/dbraw/zinc/82/13/85/1067821385.db2.gz HEUZDHRKALJKNQ-UHFFFAOYSA-N 2 0 459.727 3.445 20 0 JGADRP CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1)C(C)C ZINC001303299698 1067824450 /nfs/dbraw/zinc/82/44/50/1067824450.db2.gz YEXWJJYSXJNYSW-HSZRJFAPSA-N 2 0 462.683 3.187 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001303310918 1067839566 /nfs/dbraw/zinc/83/95/66/1067839566.db2.gz MUGPMSWHJAHVKY-UHFFFAOYSA-N 2 0 468.650 3.112 20 0 JGADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001303316543 1067843643 /nfs/dbraw/zinc/84/36/43/1067843643.db2.gz CZUMTTIEAXRLMT-QHCPKHFHSA-N 2 0 459.727 3.445 20 0 JGADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC001303316607 1067843809 /nfs/dbraw/zinc/84/38/09/1067843809.db2.gz GPFDXQQCEZSHDO-FCHUYYIVSA-N 2 0 459.727 3.301 20 0 JGADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4F)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001303316849 1067844525 /nfs/dbraw/zinc/84/45/25/1067844525.db2.gz KXDHMDGGUBCIHH-NRFANRHFSA-N 2 0 471.669 3.277 20 0 JGADRP Cc1cc(C)n(Cc2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304762853 1067850452 /nfs/dbraw/zinc/85/04/52/1067850452.db2.gz FFSLTZJQJQXZRR-HSZRJFAPSA-N 2 0 478.689 3.438 20 0 JGADRP Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001304856548 1067906377 /nfs/dbraw/zinc/90/63/77/1067906377.db2.gz QKWJTGYLEZDYPO-XMMPIXPASA-N 2 0 457.642 3.023 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001303405118 1067933302 /nfs/dbraw/zinc/93/33/02/1067933302.db2.gz IATKNIDRIGEKCX-OAQYLSRUSA-N 2 0 459.683 3.136 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001303404813 1067933352 /nfs/dbraw/zinc/93/33/52/1067933352.db2.gz CNQOEEHHQGZHCH-UHFFFAOYSA-N 2 0 481.689 3.393 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303407181 1067934155 /nfs/dbraw/zinc/93/41/55/1067934155.db2.gz AZVMHMJDUSPRAK-JOCHJYFZSA-N 2 0 481.689 3.392 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001303410139 1067936542 /nfs/dbraw/zinc/93/65/42/1067936542.db2.gz QAXZHNPOGNJWAK-QFIPXVFZSA-N 2 0 483.705 3.495 20 0 JGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(N3CC[NH+](C[C@@H]4CCOC4)CC3)nnc2C(C)(C)C)C1 ZINC001304910806 1067953724 /nfs/dbraw/zinc/95/37/24/1067953724.db2.gz IZASEUSJXVARHQ-BDTNDASRSA-N 2 0 460.711 3.491 20 0 JGADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(N3CC[NH+](C[C@H]4CCOC4)CC3)nnc2C(C)(C)C)C1 ZINC001304910808 1067953808 /nfs/dbraw/zinc/95/38/08/1067953808.db2.gz IZASEUSJXVARHQ-BHIFYINESA-N 2 0 460.711 3.491 20 0 JGADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cnccn3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001304923670 1067965441 /nfs/dbraw/zinc/96/54/41/1067965441.db2.gz FGTLREBZHXNQTM-OYRHEFFESA-N 2 0 454.667 3.414 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001303462521 1067981897 /nfs/dbraw/zinc/98/18/97/1067981897.db2.gz DYOJIEMJXNUXPH-UHFFFAOYSA-N 2 0 494.482 3.113 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303464854 1067983828 /nfs/dbraw/zinc/98/38/28/1067983828.db2.gz AFDIDOUQPRYOSL-UHFFFAOYSA-N 2 0 458.626 3.087 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001303467827 1067987170 /nfs/dbraw/zinc/98/71/70/1067987170.db2.gz KHAVFBBEDIFCJL-OAQYLSRUSA-N 2 0 487.718 3.357 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304979162 1068017404 /nfs/dbraw/zinc/01/74/04/1068017404.db2.gz LSESFWWZVHZENW-BIELFDCTSA-N 2 0 487.737 3.485 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981969 1068022989 /nfs/dbraw/zinc/02/29/89/1068022989.db2.gz CJTDEQIXKMWOTQ-LXFBAYGMSA-N 2 0 495.716 3.292 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2([NH+](C)C)CCCCC2)CCOC1 ZINC001303501135 1068028485 /nfs/dbraw/zinc/02/84/85/1068028485.db2.gz FARGBSABQFIQOX-RUZDIDTESA-N 2 0 462.683 3.114 20 0 JGADRP CC(C)O[C@]1(c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001303503569 1068034754 /nfs/dbraw/zinc/03/47/54/1068034754.db2.gz SPLZRRQORPKQCH-RUZDIDTESA-N 2 0 462.683 3.114 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[NH+](Cc4ccccc4)C[C@H]3C)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001303505468 1068039022 /nfs/dbraw/zinc/03/90/22/1068039022.db2.gz KUKKVCFUJKZZTH-KCWPFWIISA-N 2 0 484.689 3.370 20 0 JGADRP C[C@H]1CCCC[N@@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305019711 1068066087 /nfs/dbraw/zinc/06/60/87/1068066087.db2.gz RGOQQKXWOZJZBI-VXKWHMMOSA-N 2 0 494.750 3.145 20 0 JGADRP C[C@@H]1CCC[N@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001305042701 1068098555 /nfs/dbraw/zinc/09/85/55/1068098555.db2.gz KICDFIVSVCQGLW-HSZRJFAPSA-N 2 0 487.737 3.471 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305063988 1068134551 /nfs/dbraw/zinc/13/45/51/1068134551.db2.gz JTCXQZHLMPTIPS-DHIUTWEWSA-N 2 0 481.689 3.247 20 0 JGADRP CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305063991 1068134633 /nfs/dbraw/zinc/13/46/33/1068134633.db2.gz JTCXQZHLMPTIPS-XZOQPEGZSA-N 2 0 481.689 3.247 20 0 JGADRP CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305104638 1068172548 /nfs/dbraw/zinc/17/25/48/1068172548.db2.gz ZOHUGXSEVWNYJO-DEOSSOPVSA-N 2 0 454.663 3.379 20 0 JGADRP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC001305111419 1068182794 /nfs/dbraw/zinc/18/27/94/1068182794.db2.gz CGUNWHUXDTWYFU-XPWALMASSA-N 2 0 489.753 3.068 20 0 JGADRP CC(C)[NH2+]C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001305112251 1068186190 /nfs/dbraw/zinc/18/61/90/1068186190.db2.gz GAUNRBZWXYAPQV-VWLOTQADSA-N 2 0 462.683 3.017 20 0 JGADRP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001305113264 1068189512 /nfs/dbraw/zinc/18/95/12/1068189512.db2.gz SKCQDSAPRDQWEX-YPAWHYETSA-N 2 0 476.710 3.371 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305113705 1068190572 /nfs/dbraw/zinc/19/05/72/1068190572.db2.gz VZTIVRRPUAFMTM-SZPZYZBQSA-N 2 0 469.678 3.072 20 0 JGADRP C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001305114235 1068191110 /nfs/dbraw/zinc/19/11/10/1068191110.db2.gz QRXLDBUDFMKGAQ-SFTDATJTSA-N 2 0 484.693 3.181 20 0 JGADRP C[C@@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303663790 1068195605 /nfs/dbraw/zinc/19/56/05/1068195605.db2.gz FYLMLHIVUDLEBB-SFTDATJTSA-N 2 0 459.683 3.052 20 0 JGADRP CC(C)O[C@@]1(c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001305134321 1068221712 /nfs/dbraw/zinc/22/17/12/1068221712.db2.gz DXHDEHKDHFJWLC-LVXARBLLSA-N 2 0 476.710 3.217 20 0 JGADRP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC001303705948 1068249887 /nfs/dbraw/zinc/24/98/87/1068249887.db2.gz PUPQMGFBIBDNLH-TXTKFYIRSA-N 2 0 450.635 3.118 20 0 JGADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC001303707580 1068252757 /nfs/dbraw/zinc/25/27/57/1068252757.db2.gz JVQVMJKRPMXAQC-NRFANRHFSA-N 2 0 450.635 3.120 20 0 JGADRP C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001303719207 1068267894 /nfs/dbraw/zinc/26/78/94/1068267894.db2.gz SVUBAWVIEOXACN-WOJBJXKFSA-N 2 0 477.698 3.263 20 0 JGADRP C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001303735784 1068293442 /nfs/dbraw/zinc/29/34/42/1068293442.db2.gz DPEURWJAZMCMID-WOJBJXKFSA-N 2 0 477.053 3.009 20 0 JGADRP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC001303736659 1068294728 /nfs/dbraw/zinc/29/47/28/1068294728.db2.gz NBWUZEFSEBJGIZ-HBMCJLEFSA-N 2 0 487.718 3.311 20 0 JGADRP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC001303736661 1068295227 /nfs/dbraw/zinc/29/52/27/1068295227.db2.gz NBWUZEFSEBJGIZ-NJDAHSKKSA-N 2 0 487.718 3.311 20 0 JGADRP C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC001303742999 1068301433 /nfs/dbraw/zinc/30/14/33/1068301433.db2.gz KMPJQTJQJMNHQU-ICDZXHCJSA-N 2 0 497.732 3.405 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001303752972 1068314432 /nfs/dbraw/zinc/31/44/32/1068314432.db2.gz VBURISGCFAGSIP-FDFHNCONSA-N 2 0 489.709 3.311 20 0 JGADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCC[NH+](C)C ZINC001305219157 1068356239 /nfs/dbraw/zinc/35/62/39/1068356239.db2.gz AYZLUMCNALMCQG-WMZOPIPTSA-N 2 0 495.441 3.098 20 0 JGADRP C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC001303895888 1068534421 /nfs/dbraw/zinc/53/44/21/1068534421.db2.gz TZYKYLWSONMSQK-WOJBJXKFSA-N 2 0 474.625 3.056 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303897365 1068538482 /nfs/dbraw/zinc/53/84/82/1068538482.db2.gz INXQAQWFKWFZSU-OAQYLSRUSA-N 2 0 474.625 3.200 20 0 JGADRP CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001303898428 1068540571 /nfs/dbraw/zinc/54/05/71/1068540571.db2.gz PDENPROXUYZCGY-LJQANCHMSA-N 2 0 462.639 3.136 20 0 JGADRP CC[C@H](C)c1nnc(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305447185 1068681080 /nfs/dbraw/zinc/68/10/80/1068681080.db2.gz YWCGESFFTIJKHQ-RJGXRXQPSA-N 2 0 489.753 3.143 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305456481 1068695717 /nfs/dbraw/zinc/69/57/17/1068695717.db2.gz FOEDTSQAHKAXQV-QPTUXGOLSA-N 2 0 453.679 3.311 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305456476 1068695853 /nfs/dbraw/zinc/69/58/53/1068695853.db2.gz FOEDTSQAHKAXQV-OEMFJLHTSA-N 2 0 453.679 3.311 20 0 JGADRP CC[C@@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305458109 1068699694 /nfs/dbraw/zinc/69/96/94/1068699694.db2.gz MKDWWOVXOGWGRZ-PKTZIBPZSA-N 2 0 489.753 3.286 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305541662 1068812994 /nfs/dbraw/zinc/81/29/94/1068812994.db2.gz YUFXWUXQINNWMJ-XZOQPEGZSA-N 2 0 453.679 3.140 20 0 JGADRP CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305544335 1068820689 /nfs/dbraw/zinc/82/06/89/1068820689.db2.gz OWMIXMIEMRCHJB-RBBKRZOGSA-N 2 0 458.626 3.221 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305609221 1068881196 /nfs/dbraw/zinc/88/11/96/1068881196.db2.gz SAEYSRSRYHONGA-VWNXMTODSA-N 2 0 483.705 3.289 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001305613955 1068890491 /nfs/dbraw/zinc/89/04/91/1068890491.db2.gz YFRMCKWMNSHOAZ-HXUWFJFHSA-N 2 0 453.660 3.497 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305615607 1068893845 /nfs/dbraw/zinc/89/38/45/1068893845.db2.gz QIOIVJMOJKOIAO-JOCHJYFZSA-N 2 0 497.736 3.493 20 0 JGADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001305616210 1068896014 /nfs/dbraw/zinc/89/60/14/1068896014.db2.gz UJLQRDKNNBOAEV-ZJZGAYNASA-N 2 0 475.726 3.245 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001305621590 1068908435 /nfs/dbraw/zinc/90/84/35/1068908435.db2.gz MSBZNFZPCGUFCG-MOUTVQLLSA-N 2 0 489.753 3.143 20 0 JGADRP CC[C@@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001305622449 1068911212 /nfs/dbraw/zinc/91/12/12/1068911212.db2.gz RGTIPWGPMOLLQB-UXHICEINSA-N 2 0 473.691 3.065 20 0 JGADRP CC[C@@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001305670576 1069016879 /nfs/dbraw/zinc/01/68/79/1069016879.db2.gz LHMQMNJWAHGJKL-ATIYNZHBSA-N 2 0 454.663 3.197 20 0 JGADRP CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC001305708664 1069101890 /nfs/dbraw/zinc/10/18/90/1069101890.db2.gz XTGQPAOAKQLJTR-HXUWFJFHSA-N 2 0 470.666 3.212 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305786142 1069289028 /nfs/dbraw/zinc/28/90/28/1069289028.db2.gz RCSBTMNBYTZLMU-DENIHFKCSA-N 2 0 455.651 3.030 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305786143 1069289144 /nfs/dbraw/zinc/28/91/44/1069289144.db2.gz RCSBTMNBYTZLMU-KNQAVFIVSA-N 2 0 455.651 3.030 20 0 JGADRP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305786930 1069292034 /nfs/dbraw/zinc/29/20/34/1069292034.db2.gz ZJSRTTPPIGYLMY-SIKLNZKXSA-N 2 0 461.699 3.237 20 0 JGADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c21 ZINC001164406953 718863465 /nfs/dbraw/zinc/86/34/65/718863465.db2.gz HXRVJIWCZRSIEA-PZJWPPBQSA-N 2 0 483.012 3.211 20 0 JGADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164433110 718971626 /nfs/dbraw/zinc/97/16/26/718971626.db2.gz JVPKIZUDNXDLQJ-OALUTQOASA-N 2 0 494.892 3.178 20 0 JGADRP Cc1nc(CN2C(=O)CCC23CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)cs1 ZINC001164688566 719594307 /nfs/dbraw/zinc/59/43/07/719594307.db2.gz XUFCHJWQSLVBKW-UHFFFAOYSA-N 2 0 455.628 3.481 20 0 JGADRP Cn1nnc2c1CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718316 720187135 /nfs/dbraw/zinc/18/71/35/720187135.db2.gz OJHJCUOARKMXOC-VWLOTQADSA-N 2 0 471.609 3.429 20 0 JGADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)CCC2 ZINC001164814787 720217803 /nfs/dbraw/zinc/21/78/03/720217803.db2.gz ZBXHMFAJRSHLHD-UHFFFAOYSA-N 2 0 472.637 3.447 20 0 JGADRP [NH3+]C1CCN(c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164752537 720901666 /nfs/dbraw/zinc/90/16/66/720901666.db2.gz FBCNZGBPJXXPEJ-RBJSKKJNSA-N 3 0 476.669 3.159 20 0 JGADRP CCOC(=O)c1c[nH]c2cc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)[nH+]cc21 ZINC001164782990 721363964 /nfs/dbraw/zinc/36/39/64/721363964.db2.gz OTCVKSSRIOCDGM-RUZDIDTESA-N 2 0 467.570 3.463 20 0 JGADRP CCOC(=O)c1c[nH]c2cc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)[nH+]cc21 ZINC001164782992 721364487 /nfs/dbraw/zinc/36/44/87/721364487.db2.gz OTCVKSSRIOCDGM-VWLOTQADSA-N 2 0 467.570 3.463 20 0 JGADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)cn3)C2)C1 ZINC001164784574 721375839 /nfs/dbraw/zinc/37/58/39/721375839.db2.gz QIEUAVZJOYTKAI-SANMLTNESA-N 2 0 469.630 3.184 20 0 JGADRP CCOC(=O)c1c[nH]c2cc(N3CCC4(C[C@@H](COCC5CC5)[N@H+](CCOC)C4)CC3)[nH+]cc21 ZINC001164791336 721465187 /nfs/dbraw/zinc/46/51/87/721465187.db2.gz XEAJCQAHOOSMPW-FQEVSTJZSA-N 2 0 470.614 3.474 20 0 JGADRP c1ccc(C[N@@H+]2CCc3nc(N(C[C@@H]4OC[C@@H]5CC[NH2+]C[C@H]54)c4ncccn4)ccc3C2)cc1 ZINC001164793273 721484296 /nfs/dbraw/zinc/48/42/96/721484296.db2.gz UBTWRSPIHGKRFD-ARNLJNQMSA-N 2 0 456.594 3.193 20 0 JGADRP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164952939 721991233 /nfs/dbraw/zinc/99/12/33/721991233.db2.gz RLAXWGKAAQZGEW-YIXXDRMTSA-N 2 0 496.677 3.240 20 0 JGADRP CC(C)N(c1cc(OC2CC[NH+](C)CC2)ccn1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001164999014 722220692 /nfs/dbraw/zinc/22/06/92/722220692.db2.gz NUVGRTAXNDCUNE-UHFFFAOYSA-N 2 0 492.668 3.324 20 0 JGADRP